National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
IIntroduction
IIExperimental data
IIICalculated data
IVData comparisons
VCost comparisons
VIInput and output files
VIITutorials and Units
VIIILinks to other sites
IXFeedback
XOlder CCCBDB versions
XIIGeometries
XIII Vibrations
XIVReaction data
XVEntropy data
XVIBibliographic data
XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers
XXIOddities

NIST policy on privacy, security, and accessibility.
© 2013 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.

The National Institute of Standards and Technology (NIST) is an agency of the U.S. Department of Commerce.

Please send questions, comments, corrections, additions and suggestions to cccbdb@nist.gov.

return to home page

III.F.1. (I.A.4.)

List of which calculations are completed at ROMP2 /6-31G*

Jump to calculations not yet done
count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 H- Hydrogen atom anion 2SKh
3 H2- hydrogen diatomic anion 2Σu+D∞h
4 H2+ Hydrogen cation 2Σg+D∞h
5 He Helium atom   
6 He- Helium atom anion 2SKh
7 He+ Helium atom cation 2SKh
8 HeH+ Helium hydride cation 1ΣC∞v
9 He2+ helium diatomic cation 2ΣuD∞h
10 Li Lithium atom 2SKh
11 Li+ Lithium atom cation 1SKh
12 Na Sodium atom 2SKh
13 Na- Sodium atom anion 1SKh
14 K Potassium atom 2SKh
15 K- Potassium atom anion 1SKh
16 K+ Potassium atom cation 1SKh
17 Cu- Copper atom anion 1SKh
18 Cu+ Copper atom cation 1SKh
19 LiH+ lithium hydride cation 2ΣC∞v
20 NaH+ sodium hydride cation 2ΣC∞v
21 KH Potassium hydride 1ΣC∞v
22 KH+ Potassium hydrogen cation 2ΣC∞v
23 CuH Copper monohydride 1ΣC∞v
24 Be+ Beryllium atom cation 2SKh
25 Mg- Magnesium atom anion 2PKh
26 Mg+ Magnesium atom cation 2SKh
27 Ca- Calcium atom anion 2DKh
28 Ca+ Calcium atom cation 2SKh
29 BeH beryllium monohydride 2ΣC∞v
30 MgH magnesium monohydride 2ΣC∞v
31 TiH Titanium monohydride 4ΦC∞v
32 ZnH Zinc monohydride 2ΣC∞v
33 BeH2+ Beryllium dihydride cation 2ΣC∞v
34 BeH2+ Beryllium dihydride cation   
35 B Boron atom 2PKh
36 B Boron atom 4PKh
37 B+ Boron atom cation 1SKh
38 Al Aluminum atom 2PKh
39 Al- Aluminum atom anion 3PKh
40 Al+ Aluminum atom cation 1SKh
41 Sc Scandium atom 2DKh
42 Sc+ Scandium cation 3DKh
43 Ga Gallium atom 2P 
44 Ga- Gallium atom anion 3POh
45 Ga+ Gallium atom cation 1S 
46 BH Boron monohydride 3ΠC∞v
47 BH- boron monohydride anion 4ΣC∞v
48 ScH+ Scandium monohydride cation 2ΣC∞v
49 GaH+ Gallium monohydride cation 2ΣC∞v
50 BH2- boron dihydride anion 3B1C2v
51 AlH2- aluminum dihydride anion 1A1C2v
52 AlH2+ aluminum dihydride cation 1ΣgD∞h
53 BH3+ boron trihydride cation 2E'D3h
54 BH3+ boron trihydride cation 2B2C2v
55 BH3+ boron trihydride cation  C2v
56 AlH3- aluminum trihydride anion 2A2"D3h
57 AlH3- aluminum trihydride anion  C3v
58 AlH3+ aluminum trihydride cation 2ED3h
59 ScH3 Scandium trihydride 1A1C3v
60 BH4 borohydride 2B2C2v
61 BH4- borohydride anion 1A1Td
62 C Carbon atom 3P0Kh
63 C- Carbon atom anion 2DKh
64 C+ Carbon atom cation 2PKh
65 Si Silicon atom 3PKh
66 Si- Silicon atom anion 4SKh
67 Si+ Silicon atom cation 2PKh
68 Ge Germanium atom 3PKh
69 Ge- Germanium anion 4SKh
70 CH Methylidyne 2Π1/2C∞v
71 SiH Silylidyne 2ΠC∞v
72 SiH- silicon monohydride anion 3ΣC∞v
73 GeH germylidene 2ΠC∞v
74 CH2 Methylene 3B1C2v
75 CH2 Methylene 3ΣGD∞h
76 CH2- methylene anion 2B1C2v
77 CH2+ methylene cation 2A1C2v
78 CH2+ methylene cation 2ΠD∞h
79 SiH2 silicon dihydride 3B1C2v
80 SiH2- silicon dihydride anion 2B1C2v
81 SiH2+ silicon dihydride cation 2A1C2v
82 GeH2 germylene 1A1C2v
83 GeH2- germylene anion 2B1C2v
84 CH3 Methyl radical 2A1D3h
85 CH3- methyl anion 1A1C3v
86 SiH3 Silyl radical 2A1C3v
87 SiH3- Silyl anion 1A1C3v
88 SiH3+ Silyl cation 1A1'D3h
89 GeH3 Germyl radical 2A1C3v
90 GeH3+ germyl cation 1A1'D3h
91 N Nitrogen atom 4SKh
92 N Nitrogen atom 2DKh
93 N- Nitrogen atom anion 3SKh
94 N+ Nitrogen atom cation 3PKh
95 P Phosphorus atom 4SKh
96 P- Phosphorus atom anion 3PKh
97 P+ Phosphorus atom cation 3PKh
98 V Vanadium atom 4FKh
99 V+ Vanadium atom cation 5DKh
100 As Arsenic atomic 4SKh
101 As- Arsenic anion 3PKh
102 PH phosphorus monohydride 3Σ-C∞v
103 AsH Arsenic monohydride 3ΣC∞v
104 NH2 Amino radical 2B1C2v
105 NH2+ Amino cation 3B1C2v
106 PH2- Phosphino anion 1A1C2v
107 PH2+ Phosphino cation 1A1C2v
108 AsH2 Arsenic dihydride 2A1C2v
109 NH3- Ammonia anion 2A1C3v
110 NH3+ ammonia cation 2A2"D3h
111 PH3+ Phosphine cation 2A1C3v
112 AsH3+ Arsine cation 2A1C3v
113 NH4 Ammonium radical   
114 PH4 Phosphoranyl radical   
115 O Oxygen atom 3SKh
116 O- Oxygen atom anion 2PKh
117 O+ Oxygen atom cation 4SKh
118 S Sulfur atom 3PKh
119 S- Sulfur atom anion 2PKh
120 S+ Sulfur atom cation 4SKh
121 Se Selenium atom 3PKh
122 Se- Selenium atom anion 2PKh
123 Se+ Selenium atom cation 4SKh
124 OH Hydroxyl radical 2ΠC∞v
125 OH- hydroxide anion 1ΣC∞v
126 OH+ hydoxyl cation 3ΣC∞v
127 HS Mercapto radical 2ΠC∞v
128 HS- mercapto anion 1ΣC∞v
129 HS+ sulfur monohydride cation 3ΣC∞v
130 CrH Chromium hydride 6ΣC∞v
131 CrH+ Chromium hydride cation 5ΣC∞v
132 HSe Selenium monohydride 2ΠC∞v
133 HSe+ selenium monohydride cation 3ΣC∞v
134 H2O- water anion 2A1C2v
135 H2O- water anion 2A'Cs
136 H2O+ water cation 2B1C2v
137 H2S+ Hydrogen sulfide cation 2B1C2v
138 H2Se Hydrogen selenide 1A1C2v
139 H2Se+ Hydrogen selenide cation 2B1C2v
140 H3S+ Sulfonium cation 1A1C3v
141 F Fluorine atom 2PKh
142 F- Fluorine atom anion 1SKh
143 F+ Fluorine atom cation 3SKh
144 F+ Fluorine atom cation 1DKh
145 Cl Chlorine atom 2PKh
146 Cl- Chlorine atom anion 1SKh
147 Cl+ Chlorine atom cation 3PKh
148 Cl+ Chlorine atom cation 1DKh
149 Br Bromine atom 2PKh
150 Br- Bromine atom anion 1SKh
151 Br+ Bromine atom cation 3PKh
152 HF- hydrogen fluoride anion 2ΣC∞v
153 HF+ hydrogen fluoride cation 2ΠC∞v
154 HCl- hydrogen chloride anion 2ΣC∞v
155 HCl+ hydrogen chloride cation 2ΠC∞v
156 HBr- hydrogen bromide anion 2ΣC∞v
157 HBr+ hydrogen bromide cation 2ΠC∞v
158 H2Cl+ dihydrogen monochloride cation 1A1C2v
159 Ne Neon atom   
160 Ne- Neon atom anion 2SKh
161 Ne+ Neon atom cation 2PKh
162 Ar- Argon atom anion 2SKh
163 Ar+ Argon atom cation 2PKh
164 Kr Krypton atom 1SKh
165 Kr+ Krypton cation 2PKh
166 NeH neon hydrogen 2ΣC∞v
167 ArH+ Argon hydride cation 1ΣC∞v
168 Na2- sodium diatomic anion 2ΣuD∞h
169 Na2+ sodium diatomic cation 2ΣgD∞h
170 NaK+ Sodium Potassium diatomic cation 1
171 LiBe Lithium Beryllium 2ΣC∞v
172 LiMg Lithium magnesium 2ΣC∞v
173 NaBe Sodium Beryllium 2ΣC∞v
174 NaMg Sodium Magnesium 2ΣC∞v
175 Be2 Beryllium diatomic 3ΠgD∞h
176 Be2- Beryllium diatomic anion 2ΠuD∞h
177 LiB Lithium boride 3ΠC∞v
178 NaAl Sodium aluminum 1ΣC∞v
179 BeB Beryllium monoboride 2ΠC∞v
180 B2 Boron diatomic 3ΣgD∞h
181 BAl Boron Aluminum 3ΣC∞v
182 BGa Boron Gallium 3ΣC∞v
183 AlGa Aluminum Gallium 3ΣC∞v
184 Ga2 Gallium diatomic 3Piu 
185 HBBH Diborane(2) 3ΣGD∞h
186 B2H6+ Diborane cation   
187 LiC Lithium Carbide 4ΣC∞v
188 BeC Beryllium Carbide 3Σ-C∞v
189 BeC Beryllium Carbide   
190 CaC Calcium monocarbide   
191 BC boron monocarbide 4Σ-C∞v
192 BC- boron monocarbide anion 3ΠuC∞v
193 AlC Aluminum carbide 4ΣC∞v
194 BSi Boron silicide 4ΣC∞v
195 BSi Boron silicide 2ΣC∞v
196 C2 Carbon diatomic 3ΠuD∞h
197 C2+ carbon diatomic cation 4ΣgD∞h
198 SiC silicon monocarbide 3ΣC∞v
199 SiC- silicon monocarbide anion 2ΣgC∞v
200 SiC+ silicon monocarbide cation 2ΠC∞v
201 GeC Germanium monocarbide 1ΣC∞v
202 SiGe Silicon Germanium   
203 Ge2 Germanium diatomic 3ΣgD∞h
204 C2H Ethynyl radical 2ΣC∞v
205 ZnCH2 Zinc methylene 3B1C2v
206 ZnCH2 Zinc methylene 1A'Cs
207 C2H2+ acetylene cation 2ΠuD∞h
208 CCH2 vinylidene 3B2C2v
209 H2CC- vinylidene anion   
210 HCCH- acetylene anion   
211 HCCH- acetylene anion   
212 ZnCH3 Zinc monomethyl 2A1C3v
213 C2H3 vinyl 2A'Cs
214 C2H3+ vinyl cation 1A1C2V bridging H
215 C2H4- Ethylene anion 2B2gD2h
216 C2H4+ Ethylene cation 2B3uD2h
217 C2H4+ Ethylene cation 2B3D2
218 CH3CH methylmethylene 3A"Cs
219 C2H5 Ethyl radical 2A'Cs
220 LiN Lithium Nitride 3ΣC∞v
221 LiN+ Lithium Nitride cation 4ΣC∞v
222 LiP Lithium monophosphide   
223 BeN Beryllium mononitride 4ΣC∞v
224 BeN Beryllium mononitride 2ΠC∞v
225 BeN- Beryllium mononitride anion 1ΣC∞v
226 BeN+ Beryllium mononitride cation 1ΣC∞v
227 MgN Magnesium Nitride   
228 MgN Magnesium Nitride   
229 BP Boron monophosphide 3ΠC∞v
230 AlP Aluminum monophosphide 3ΣC∞v
231 AlP Aluminum monophosphide 3ΠC∞v
232 GaN Gallium mononitride 3ΠC∞v
233 GaP Gallium monophosphide 3ΣC∞v
234 GaAs Gallium arsenide 3Π 
235 GaAs Gallium arsenide 1Σ 
236 BN boron nitride 3ΠC∞v
237 CN Cyano radical 2ΣC∞v
238 SiP Silicon monophosphide 2ΠC∞v
239 SiP- Silicon monophosphide anion 1ΣC∞v
240 SiP+ Silicon monophosphide cation 3ΣC∞v
241 N2 Nitrogen diatomic   
242 N2- nitrogen diatomic anion 2ΠgD∞h
243 N2+ diatomic nitrogen cation 2ΣgD∞h
244 HNB hydrogen nitrogen boron 2ΣC∞v
245 HCN+ hydrogen cyanide cation 2ΠC∞v
246 HNC+ hydrogen isocyanide cation   
247 HCP+ Phosphaethyne cation   
248 CNH2 Aminomethylidyne radical 2B2C2v
249 H2CN Dihydrogen cyanide radical 2B2C2v
250 H2CN+ hydrocyanonium cation 1A1C2v
251 HCNH methyleneazane 2A'CS cis
252 N2H2+ trans-diazene cation 2AGC2h
253 CH2NH+ Methanimine cation   
254 CHNH2+ Aminocarbene cation   
255 N2H4+ hydrazine cation 2AGC2h
256 CH3NH2+ methyl amine cation 2A'Cs
257 CH3NH3 methyl ammonium radical 2A1C3v
258 LiO lithium oxide 2ΣC∞v
259 LiO- lithium oxide anion 1ΣC∞v
260 LiO- lithium oxide anion 3ΣC∞v
261 LiO+ lithium oxide cation 3ΣC∞v
262 LiS Lithium monosulfide 2ΠC∞v
263 LiS+ Lithium sulfide cation 3ΣC∞v
264 NaO sodium monoxide 2ΣC∞v
265 KO Potassium monoxide 2ΣC∞v
266 KO+ Potassium monoxide cation 3ΣC∞v
267 NaS Sodium sulfide 2ΠC∞v
268 LiSe Lithium monoselenide   
269 BeO- Beryllium monoxide anion 2ΣC∞v
270 BeO+ Beryllium monoxide cation 2ΠC∞v
271 BO boron monoxide 2ΣC∞v
272 BO- boron monoxide anion 1ΣC∞v
273 ScO Scandium monoxide 2ΣC∞v
274 GaO Gallium monoxide 2ΣC∞v
275 GaS Gallium monosulfide   
276 CO Carbon monoxide 3ΠC∞v
277 CO- carbon monoxide anion 2ΠC∞v
278 CO+ carbon monoxide cation 2ΣC∞v
279 TiO Titanium monoxide 3ΔC∞v
280 GeO+ Germanium monoxide cation 2ΣC∞v
281 SiSe+ Silicon Monoselenide cation   
282 NO Nitric oxide 2ΠC∞v
283 NO- nitric oxide anion 3ΣC∞v
284 NS Mononitrogen monosulfide 2ΠC∞v
285 NS- nitrogen sulfide anion 3ΣC∞v
286 PO Phosphorus monoxide 2ΠC∞v
287 PS phosphorus sulfide 2ΣC∞v
288 VO Vanadium monoxide 4Σ- 
289 AsO Arsenic monoxide 2ΠC∞v
290 NSe Nitrogen monoselenide 2ΠC∞v
291 AsS Arsenic monosulfide 2ΠC∞v
292 PSe Phosphorus monoselenide 2ΠC∞v
293 AsSe Arsenic monoselenide 2ΠC∞v
294 O2 Oxygen diatomic 3ΣgD∞h
295 O2- oxygen diatomic anion 2ΠD∞h
296 O2+ diatomic oxygen cation 2ΠgD∞h
297 SO Sulfur monoxide 3ΣC∞v
298 SO Sulfur monoxide 1ΣC∞v
299 SO+ sulfur monoxide cation 2ΠC∞v
300 S2 Sulfur diatomic 3ΣgD∞h
301 SeO Selenium monoxide 3ΣC∞v
302 Se2 Selenium diatomic 3ΣgD∞h
303 BeOH beryllium monohydroxide 2A'Cs
304 COH Hydroxymethylidyne   
305 HCO Formyl radical 2A'Cs
306 HCO- formyl anion 1A'Cs
307 HCO+ Formyl cation 1ΣC∞v
308 HCS+ Thioformyl cation 1ΣC∞v
309 HNO Nitrosyl hydride 1A'Cs
310 HNO- Nitrosyl hydride anion 2A"Cs
311 HNO+ Nitrosyl hydride cation 2A'Cs
312 NOH Hydroxyimidogen 3A"Cs
313 NOH+ O-protonated nitric oxide 2A'Cs
314 HNS- Sulfur imide anion 2ACs
315 HO2 Hydroperoxy radical 2A"Cs
316 HO2- Hydroperoxy anion 1A'Cs
317 HO2+ Hydroperoxy cation 3A"Cs
318 HO2+ Hydroperoxy cation 1A'Cs
319 SOH Sulfur Hydroxide   
320 SOH+ Sulfur Monoxide, protonated   
321 HS2 Thiosulfeno radical 2A"Cs
322 H2CO- formaldehyde anion 2A'Cs
323 H2CO- formaldehyde anion   
324 H2CO+ formaldehyde cation 2B2C2v
325 H2CS- thioformaldehyde anion   
326 H2CS- thioformaldehyde anion   
327 H2CS+ thioformaldehyde cation 2B2C2v
328 H2NO nitroxide 2B1C2v
329 H2NO nitroxide 2A'Cs
330 H2O2+ Hydrogen peroxide cation 2BgC2h
331 H2S2+ hydrogen disulfide cation 2BgC2h
332 CH2OH Hydroxymethyl radical 2AC1
333 CH3O+ Methoxy cation 3A1C3v
334 NH2OH+ Hydroxylamine cation   
335 CH3OH- Methyl alcohol anion 2A'Cs
336 CH3OH+ Methyl alcohol cation 2A"Cs
337 CH3SH+ Methanethiol cation 2A"Cs
338 NH2OH2+ protonated hydroxylamine   
339 NH3OH+ N-protonated hydroxylamine   
340 NaF+ sodium fluoride cation 2ΣC∞v
341 LiF- lithium fluoride anion 2ΣC∞v
342 LiF+ lithium fluoride cation 2ΠC∞v
343 BeF- Beryllium monofluoride anion 1ΣC∞v
344 BeF+ Beryllium monofluoride cation 1ΣC∞v
345 TiCl Titanium Monochloride 4ΣC∞v
346 ZnF Zinc monofluoride 2ΣC∞v
347 ZnCl Zinc monochloride 2ΣC∞v
348 CaBr Calcium monobromide   
349 GaF Gallium monofluoride 1ΣC∞v
350 GaF+ Gallium monofluoride cation 2ΣC∞v
351 GaCl Gallium monochloride 1ΣGC∞v
352 GaCl+ Gallium monochloride cation 2ΣC∞v
353 CF Fluoromethylidyne 2ΠC∞v
354 SiF silicon monofluoride 2ΠC∞v
355 SiF- silicon monofluoride anion 3ΣC∞v
356 SiCl Clorosilylidyne 2ΠC∞v
357 CBr Carbon monobromide 2ΠC∞v
358 GeF Germanium monofluoride 2ΠC∞v
359 GeCl Germanium monochloride 2ΠC∞v
360 SiBr Silicon monobromide 2ΠC∞v
361 SiBr+ Silicon monobromide cation   
362 NCl nitrogen monochloride 3ΣC∞v
363 NCl- nitrogen monochloride anion 2ΠC∞v
364 NCl+ nitrogen monochloride cation 2ΠC∞v
365 AsF Arsenic monofluoride 3ΣC∞v
366 NBr nitrogen monobromide 3Σ-C∞v
367 AsCl Arsenic monochloride 3ΣC∞v
368 PBr Phosphorus monobromide   
369 FO Oxygen monofluoride 2ΠC∞v
370 ClO Monochlorine monoxide 2ΠC∞v
371 ClO+ chlorine monoxide cation 3ΣC∞v
372 SF Monosulfur monofluoride 2ΠC∞v
373 SF+ sulfur monofluoride cation 3ΣC∞v
374 SCl sulfur monochloride 2ΠC∞v
375 SCl+ sulfur monochloride cation 3ΣgC∞v
376 BrO Bromine monoxide 2ΠC∞v
377 BrO+ Bromine monoxide cation   
378 SeF Selenium monofluoride 2ΠC∞v
379 SBr Sulfur monobromide radical   
380 SBr+ Sulfur monobromide cation   
381 SeCl Selenium monochloride 2ΠC∞v
382 SeBr Selenium monobromide   
383 F2- flourine diatomic anion 2ΣuD∞h
384 F2+ flourine diatomic cation 2ΠgD∞h
385 ClF+ clorine monofluoride cation 2ΠC∞v
386 Cl2- chlorine diatomic anion 2ΣuD∞h
387 Cl2+ chlorine diatomic cation 2ΠgD∞h
388 Br2- bromine diatomic anion 2ΣuD∞h
389 Br2+ bromine diatomic cation 2ΠgD∞h
390 HCF Fluoromethylene 3A"Cs
391 HCCl Chloromethylene 3A"Cs
392 CHBr bromomethylene 3A"Cs
393 HOCl+ hypochlorous acid cation   
394 HOBr+ Hypobromous acid cation 2A"Cs
395 CH2Br bromomethyl radical 2A'Cs
396 CH2Br bromomethyl radical   
397 CH2F fluoromethyl radical 2ACs
398 CH2Cl chloromethyl radical 2A'Cs
399 CH2Cl chloromethyl radical 2B1C2v
400 CH3F+ methyl fluoride cation   
401 CH3Cl+ Methyl chloride cation   
402 CH3Br methyl bromide 1A1C3v
403 Ne2+ Neon diatomic cation 2ΣuD∞h
404 Ar2+ Argon diatomic cation 2ΣuD∞h
405 Li3 Lithium trimer 2B2C2v
406 C3 carbon trimer 1A1C2v
407 C3H3 cyclopropenyl radical 2A'Cs
408 C3H3+ cyclopropenyl cation 1A1D3h
409 C3H3+ Propargyl cation 1A1C2v
410 CH3CHCH 1-propenyl radical 2A'Cs
411 C3H7 n-Propyl radical 2A"C1
412 CH3CHCH3 Isopropyl radical 2AC2
413 LiCN lithium cyanide 1ΣC*V LiCN
414 KCN Potassium cyanide 1ΣC∞v
415 ZnCN Zinc monocyanide 2ΣC∞v
416 ZnNC Zinc isocyanide 2ΣC∞v
417 CNN Diazocarbene   
418 NCN Cyanoimidogen 3ΣgD∞h
419 N3 azide radical 2ΠgD∞h
420 N3+ azide cation 3ΣgD∞h
421 N3+ azide cation 3ΣC∞v
422 HCCN cyanomethylene 3A"Cs
423 HCCN cyanomethylene   
424 HN3 hydrogen azide 1A'Cs
425 HN3+ Hydrazoic acid cation   
426 CH3CN- acetonitrile anion 2EC3v
427 CH3CN- acetonitrile anion 2A'Cs
428 HCNCH2+ 2H-Azirine cation   
429 CH2CHNH vinylazine 2A"CS cis
430 CH3CHN methylmethaniminyl radical 2A'Cs
431 Li2O+ dilithium oxide cation 2ΠD∞h
432 LiO2 Lithium dioxide   
433 NaO2 Sodium superoxide   
434 CCO Dicarbon monoxide 3ΣC∞v
435 NCO isocyanato radical 2ΠC∞v
436 SCN thiocyanato radical 2ΠC∞v
437 BO2+ Boron dioxide cation 3ΣgD∞h
438 N2O- Nitrous oxide anion 2A'Cs
439 N2O+ Nitrous oxide cation 2ΠC∞v
440 CO2- Carbon dioxide anion 2A1C2v
441 CO2+ Carbon dioxide cation 2ΠgD∞h
442 OCS+ Carbonyl sulfide cation 2ΠC∞v
443 CS2- Carbon disulfide anion 2A1C2v
444 NO2 Nitrogen dioxide 2A1C2v
445 NO2- Nitrogen dioxide anion 1A1C2v
446 NO2+ Nitrogen dioxide cation 1ΣGD∞h
447 NSO sulfinyl amidogen   
448 PO2+ Phosphorus dioxide cation 1ΣGD∞h
449 SNO Nitrogen oxide sulfide   
450 AsO2 Aresenic dioxide 2A1C2v
451 O3- Ozone anion 2B1C2v
452 O3+ Ozone cation 2A1C2v
453 SO2 Sulfur dioxide 1A1C2v
454 SO2- Sulfur dioxide anion 2B1C2v
455 SO2+ Sulfur dioxide cation 2A1C2v
456 S3- Sulfur trimer anion 2B1C2v
457 S3+ Sulfur trimer cation 2B2C2v
458 SeO2+ Selenium dioxide cation 2A1C2v
459 HCCO ketenyl radical 2ΠC∞v
460 HCCO ketenyl radical 2A"Cs
461 HCOO formate neutral radical 2A'Cs
462 HOCO Hydrocarboxyl radical 1A'cis
463 HOCO Hydrocarboxyl radical 1A'trans
464 HOCO+ Hydrocarboxyl cation 1A'Cs
465 HNO2+ nitrous acid cation 2A'Cs
466 CH2CO+ Ketene cation 2B1C2v
467 Be(OH)2 Beryllium hydroxide   
468 CH2CHO Vinyloxy radical 2A"Cs
469 CH2OOH CH2OOH radical 2AC1
470 C2H4O+ ethylene oxide cation   
471 CH3CHO+ acetaldehyde cation   
472 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
473 CH2CH2OH 2-hydroxy ethyl radical 2A'Cs
474 CH3CH2O Ethoxy radical 2A'Cs
475 CH3CHOH 1-hydroxy-ethyl radical 2AC1
476 CH3OCH2 methoxymethyl radical 2AC1
477 CH3SCH3+ dimethyl sulfide cation   
478 CuF2 Copper difluoride 2ΠgD∞h
479 ZnF2 Zinc difluoride 1ΣGD∞h
480 ZnCl2 Zinc dichloride 1ΣGD∞h
481 FCO Carbonyl fluoride 2A'Cs
482 ClCO carbonyl monochloride 2A'Cs
483 BF2 Boron difluoride radical 2A1C2v
484 CF2 Difluoromethylene 3B1C2v
485 CF2- Difluoromethylene anion 2B1C2v
486 CF2+ Difluoromethylene cation 2A1C2v
487 SiF2 Silicon difluoride 3B1C2v
488 SiF2+ Silicon difluoride cation 2A1C2v
489 CCl2+ dichloromethylene cation 2A1C2v
490 CBr2 dibromomethylene 3B1C2v
491 FOO+ Fluorine dioxide cation   
492 ClOO+ chloroperoxy cation 1A'Cs
493 OClO Chlorine dioxide 2B1D∞h
494 OClO- Chlorine dioxide anion 1A'Cs
495 OClO+ Chlorine dioxide cation 1A1C2v
496 ClSO Sulfur chloride oxide 2A"Cs
497 BrOO Bromine dioxide   
498 OBrO Bromine dioxide radical 2B1C2v
499 NF2+ Difluoroamino cation 1A1C2v
500 PF2 Phosphorus difluoride   
501 SF2- sulfur difluoride anion 2A'Cs
502 SF2+ sulfur difluoride cation 2B1C2v
503 HCCF+ fluoroacetylene cation 2ΠC∞v
504 HFCO+ formyl fluoride cation 2A'Cs
505 CHCl2 dichloromethyl radical 2B1C2v
506 CHCl2 dichloromethyl radical 2A'Cs
507 CHF2 difluoromethyl radical 2ACs
508 CHFCl Chlorofluoromethyl radical   
509 CHBr2 dibromomethyl radical   
510 CH2CHF Ethene, fluoro- 1A'Cs
511 CH2CH2Cl 2-chloroethyl radical 2A'Cs
512 CHClCH3 1-chloroethyl radical 2AC1
513 C4 Carbon tetramer 3ΣgD∞h
514 C4H2+ diacetlyene cation 2ΠgD∞h
515 C2N2+ Cyanogen cation 2ΠgD∞h
516 HCCCN+ Cyanoacetylene cation 2ΠC∞v
517 C3H3N+ acrylonitrile cation 2A"Cs
518 NO3+ nitrogen trioxide cation 1A1C2v
519 NO3+ nitrogen trioxide cation 1A1'D3h
520 SO3- Sulfur trioxide anion 2A1pyramidal
521 SO3- Sulfur trioxide anion 2A2"planar
522 SO3+ Sulfur trioxide cation 2A2'D3h
523 HCO3- bicarbonate anion   
524 C2H2O2 Ethanedial 1AgC2h
525 CH3COCH2 Acetonyl radical 2A"Cs
526 C2H5OO ethylperoxy radical 2A'Cs
527 CH3COCH3- acetone anion 2A'Cs
528 C2Cl2+ dichloroacetylene cation 2ΠUD∞h
529 ClONO chlorine nitrite 1A'CS cis
530 CF2O+ Carbonic difluoride cation   
531 BF3- Borane, trifluoro- anion 2A1D3h
532 BF3- Borane, trifluoro- anion 2A1C3v
533 BF3+ boron trifluoride cation 2A2'D3h
534 BF3+ boron trifluoride cation   
535 BCl3+ Boron Trichloride cation   
536 CF3- Trifluoromethyl anion 1A1C3v
537 CF3+ Trifluoromethyl cation 1A1'D3h
538 CF2Cl difluorochloromethyl radical   
539 SiF3 Silicon trifluoride radical 2A1C3v
540 SiF3+ Silicon trifluoride cation 1A1'D3h
541 CFCl2 dichlorofluoromethyl radical   
542 CCl3- Trichloromethyl anion 1A1C3v
543 CCl3+ Trichloromethyl cation 1A1'D3h
544 CBr3 tribromomethyl radical   
545 NF3 Nitrogen trifluoride 1A1C3v
546 NF3- Nitrogen trifluoride anion 2A1C3v
547 NF3+ Nitrogen trifluoride cation 2A1C3v
548 NBr3 Nitrogen Tribromide 1A1C3v
549 SF3 Sulfur trifluoride 2A'Cs
550 C2H4F2 1,2-difluoroethane 1AgC2H anti
551 C3H3N2 imidazolyl radical 2B1C2v
552 C4H4N pyrrolide radical 2A2C2v
553 C3H4N2 1H-Imidazole 1A'Cs
554 C3O2+ Carbon suboxide cation 2ΠUD∞h
555 C2HF3+ Trifluoroethylene cation 2A"Cs
556 C6H8 (E)-hexa-2,3,4-triene 1A'C2h
557 SF5 Sulfur pentafluoride 2A1C4v
558 C7H7 cycloheptatrienyl radical 2A2C2v
559 C6H5O phenoxy radical 2B1C2v
560 PF6 Hexafluorophosphate neutral 2B2C2v
561 C6H5CHO benzaldehyde 1A'Cs

Species NOT done yet
count Species Name file name problem
1 D Deuterium atom d  
2 D- Deuterium atom anion d-  
3 D+ Deuterium atom cation d+  
4 H+ Hydrogen atom cation h+  
5 D2 Deuterium diatomic d2  
6 H2 Hydrogen diatomic h2  
7 HD Deuterium hydride hd  
8 H3+ hydrogen trimer cation h3+  
9 He Helium atom he  
10 HeH Helium hydride heh  
11 Li- Lithium atom anion li-  
12 Na+ Sodium atom cation na+  
13 Cu Copper atom cu  
14 LiH Lithium Hydride lih  
15 LiH- lithium hydride anion lih-  
16 NaH sodium hydride nah  
17 NaH- sodium hydride anion nah-  
18 Be Beryllium atom be  
19 Be- Beryllium atom anion be-  
20 Mg Magnesium atom mg  
21 Ca Calcium atom ca  
22 Zn Zinc atom zn  
23 Zn- Zinc atom anion zn-  
24 Zn+ Zinc atom cation zn+  
25 BeH- berylium monohydride anion beh-  
26 BeH+ beryllium monohydride cation beh+  
27 MgH- magnesium monohydride anion mgh-  
28 MgH+ magnesium monohydride cation mgh+  
29 CaH Calcium monohydride cah  
30 CaH+ Calcium monohydride cation cah+  
31 ZnH+ Zinc, protonated znh+  
32 BeH2 beryllium dihydride beh2  
33 MgH2 magnesium dihydride mgh2  
34 CaH2 Calcium Hydride cah2  
35 ZnH2 Zinc hydride znh2  
36 B- Boron atom anion b-  
37 BH Boron monohydride bh  
38 BH- boron monohydride anion bh-  
39 BH+ boron monohydride cation bh+  
40 AlH aluminum monohydride alh  
41 AlH- aluminum monohydride anion alh-  
42 AlH+ aluminum monohydride cation alh+  
43 ScH Scandium monohydride sch  
44 GaH Gallium monohydride gah  
45 BH2 boron dihydride bh2  
46 BH2+ Boron dihydride cation bh2+  
47 AlH2 aluminum dihydride alh2  
48 BH3 boron trihydride bh3  
49 BH3- boron trihydride anion bh3-  
50 AlH3 aluminum trihydride alh3  
51 GaH3 Gallium trihydride gah3  
52 AlH4- Aluminum tetrahydride anion alh4-  
53 C- Carbon atom anion c-  
54 Ti Titanium atom ti  
55 Ti- Titanium atom anion ti-  
56 Ti+ Titanium atom cation ti+  
57 Ge+ Germanium cation ge+  
58 Sn Tin atom sn  
59 Sn+ Tin cation sn+  
60 CH- methylidyne anion ch-  
61 CH+ Methylidyne cation ch+  
62 SiH+ silicon monohydride cation sih+  
63 GeH+ Germaniun monohyrdide cation geh+  
64 SiH2 silicon dihydride sih2  
65 CH3+ methyl cation ch3+  
66 CD4 methane-d4 cd4  
67 CH2D2 methane-d2 ch2d2  
68 CH3D methane-d ch3d  
69 CH4 Methane ch4  
70 CH4- Methane anion ch4-  
71 CH4+ Methane cation ch4+  
72 CHD3 methane-d3 chd3  
73 SiH2D2 silane-d2 sih2d2  
74 SiH4 Silane sih4  
75 SiH4+ Silane cation sih4+  
76 GeH4 Germane geh4  
77 SnH4 Stannane snh4  
78 SiH5+ Silane, protonated sih5+  
79 As+ Arsenic cation as+  
80 Sb Antimony atom sb  
81 NH Imidogen nh  
82 NH- Imidogen anion nh-  
83 NH+ imidogen cation nh+  
84 PH- phosphorus monohydride anion ph-  
85 PH+ phosphorus monohydride cation ph+  
86 AsH+ Arsenic monohydride cation ash+  
87 SbH Antimony monohydride sbh  
88 ND2 Amidogen-d2 nd2  
89 NH2- amino anion nh2-  
90 PH2 Phosphino radical ph2  
91 AsH2+ Arsenic dihydride cation ash2+  
92 ND3 Ammonia-d3 nd3  
93 NH3 Ammonia nh3  
94 PH3 Phosphine ph3  
95 AsH3 Arsine ash3  
96 SbH3 Stibine sbh3  
97 AsH4+ Arsonium ash4+  
98 NH4+ ammonium cation nh4+  
99 PH4+ phosphonium cation ph4+  
100 Cr Chromium atom cr  
101 Te Tellurium atom te  
102 Te+ Tellurium atom cation te+  
103 DO Hydroxyl-d od  
104 DS Mercapto-d ds  
105 HSe- selenium monohydride anion hse-  
106 TeH Telluryl radical teh  
107 D2O Deuterium oxide d2o  
108 H2O Water h2o  
109 HDO Water-d1 hdo  
110 D2S Hydrogen sulfide-d2 d2s  
111 H2S Hydrogen sulfide h2s  
112 H2S- Hydrogen sulfide anion h2s-  
113 H2Te Hydrogen Telluride h2te  
114 H3O+ hydronium cation h3o+  
115 H3Se+ Hydrogen Selenide, protonated h3se+  
116 Mn Manganese atom mn  
117 I Iodine atom iodine  
118 I- Iodine atom anion iodine-  
119 I+ Iodine atom cation iodine+  
120 DF Hydrofluoric acid-d df  
121 HF Hydrogen fluoride hf  
122 DCl Hydrochloric acid-d dcl  
123 HCl Hydrogen chloride hcl  
124 HBr hydrogen bromide hbr  
125 HI Hydrogen iodide hi  
126 HI+ Hydrogen iodide cation hi+  
127 H2F+ dihydrogen fluoride cation h2f+  
128 H2Br+ protonated hydrogen bromide h2br+  
129 H2I+ Iodonium h2i+  
130 Ne Neon atom ne  
131 Ar Argon atom ar  
132 Fe Iron atom fe  
133 Xe Xenon atom xe  
134 HeLi+ Helium Lithium cation heli+  
135 NeH+ neon hydrogen cation neh+  
136 KrH+ Protonated Krypton krh+  
137 XeH+ Xenon, protonated xeh+  
138 H2Ar H2 Ar dimer h2ar  
139 Co Cobalt atom cobalt  
140 Ni Nickel atom ni  
141 Li2 Lithium diatomic li2  
142 Li2- lithium diatomic anion li2-  
143 Li2+ lithium diatomic cation li2+  
144 NaLi lithium sodium lina  
145 NaLi- lithium sodium anion lina-  
146 NaLi+ lithium sodium cation lina+  
147 LiK Lithium Potassium lik  
148 Na2 Sodium diatomic na2  
149 NaK Sodium Potassium nak  
150 K2 Potassium diatomic k2  
151 Cu2 Copper diatomic cu2  
152 Be2 Beryllium diatomic be2  
153 Be2+ Beryllium diatomic cation be2+  
154 BeMg Beryllium Magnesium bemg  
155 Mg2 Magnesium diatomic mg2  
156 Mg2- magnesium diatomic anion mg2-  
157 Mg2+ magnesium diatomic cation mg2+  
158 Ca2 Calcium diatomic ca2  
159 LiAl Lithium Aluminum lial  
160 B2- Boron diatomic anion b2-  
161 B2+ Boron diatomic cation b2+  
162 Al2 Aluminum diatomic al2  
163 Al2- aluminum diatomic anion al2-  
164 Al2+ aluminum diatomic cation al2+  
165 LiBH4 Lithium borohydride libh4  
166 B2H4 Diborane(4) D2d b2h4  
167 HBHHBH Diborane(4) C2V hbhhbh  
168 B2H6 Diborane b2h6  
169 Al2H6 dialane al2h6  
170 Ga2H6 digallane ga2h6  
171 BC+ boron monocarbide cation bc+  
172 C2 Carbon diatomic c2  
173 C2- carbon diatomic anion c2-  
174 Si2 Silicon diatomic si2  
175 Si2- silcon diatomic anion si2-  
176 Si2+ silcon diatomic cation si2+  
177 C2H- Ethynyl anion c2h-  
178 C2H+ Ethynyl cation c2h+  
179 C2H2 Acetylene c2h2  
180 CCH2 vinylidene vinylidene  
181 Si2H2 disilyne si2h2  
182 CH3Li methyl lithium ch3li  
183 CuCH3 monomethyl copper cuch3  
184 CH2BH methyleneborane ch2bh  
185 C2H3- vinyl anion c2h3-  
186 C2H4 Ethylene c2h4  
187 CH2SiH2 silaethylene ch2sih2  
188 Si2H4 Disilene si2h4  
189 CH3BH2 methylborane ch3bh2  
190 C2H5- Ethyl anion c2h5-  
191 C2H5+ Ethyl cation c2h5+  
192 C2H6 Ethane c2h6  
193 C2H6+ ethane cation c2h6+  
194 CH3SiH3 methyl silane ch3sih3  
195 Si2H6 disilane si2h6  
196 GeH3CH3 methyl germane geh3ch3  
197 C2H7+ Ethane, protonated c2h7+  
198 BeN+ Beryllium mononitride cation ben+  
199 BN- boron nitride anion bn-  
200 AlN- aluminum mononitride anion aln-  
201 AlN+ aluminum mononitride cation aln+  
202 BN+ boron nitride cation bn+  
203 AlN Aluminum nitride aln  
204 CN- cyanide anion cn-  
205 CN+ Cyano cation cn+  
206 CP Carbon monophosphide cp  
207 CP- carbon monophosphide anion cp-  
208 CP+ carbon monophosphide cation cp+  
209 SiN Silicon nitride sin  
210 SiN- silicon mononitride anion sin-  
211 SiN+ silicon mononitride cation sin+  
212 TiN Titanium mononitride tin  
213 N2 Nitrogen diatomic n2  
214 PN Phosphorus mononitride pn  
215 PN- phosphorus nitride anion pn-  
216 PN+ phosphorus nitride cation pn+  
217 P2 Phosphorus diatomic p2  
218 P2- phosphorus diatomic anion p2-  
219 P2+ phosphorus diatomic cation p2+  
220 AsN Arsenic mononitride asn  
221 AsP Arsenic monophosphide asp  
222 SbN Antimony nitride sbn  
223 As2 Arsenic diatomic as2  
224 HNC hydrogen isocyanide hnc  
225 HCN Hydrogen cyanide hcn  
226 HCN- Hydrogen cyanide anion hcn-  
227 HCP Phosphaethyne hcp  
228 NNH Dinitrogen monohydride nnh  
229 NNH+ Dinitrogen monohydride cation nnh+  
230 HPO Hydrogen phosphorus oxide hpo  
231 HPO+ Hydrogen phosphorus oxide cation hpo+  
232 LiNH2 lithium amide linh2  
233 HBNH Boranimine hbnh  
234 CNH2+ N-protonated hydrogen isocyanide cnh2+  
235 HCNH+ N-protonated HCN hcnh+  
236 H2NN Isodiazene h2nn  
237 N2H2 (E)-diazene n2h2  
238 N2H2 (Z)-Diazene n2h2z  
239 CH2NH Methanimine ch3n  
240 CHNH2 aminomethylene chnh2  
241 CH2PH Phosphaethene ch3p  
242 BH2NH2 Boranamine bh2nh2  
243 CH2NH2+ methyleneamine cation ch2nh2+  
244 N2H4 Hydrazine n2h4  
245 P2H4 Diphosphine p2h4  
246 CH3NH2 methyl amine ch3nh2  
247 CH3PH2 Methyl phosphine ch3ph2  
248 SiH3NH2 Silane, amino sih3nh2  
249 N2H5+ protonated hydrazine n2h5+  
250 BH3PH3 borane phosphine bh3ph3  
251 BH3NH3 borane ammonia bh3nh3  
252 CH3NH3+ protonated methylamine ch3nh3+  
253 CH3PH3+ methyl phosphine, protonated ch3ph3+  
254 NH3NH3 Ammonia Dimer nh3nh3  
255 N2H7+ ammonia ammonium dimer n2h7+  
256 NaO- sodium oxide anion nao-  
257 NaO+ sodium oxide cation nao+  
258 CuO Copper Monoxide cuo  
259 BeO beryllium oxide beo  
260 BeS beryllium sulfide bes  
261 MgO magnesium oxide mgo  
262 MgO- magnesium oxide anion mgo-  
263 MgO+ magnesium oxide cation mgo+  
264 CaO Calcium monoxide cao  
265 MgS magnesium sulfide mgs  
266 MgS- magnesium sulfide anion mgs-  
267 MgS+ magnesium sulfide cation mgs+  
268 CaS Calcium sulfide cas  
269 ZnO zinc monoxide zno  
270 ZnS Zinc sulfide zns  
271 BeS- Beryllium monosulfide anion bes-  
272 BeS+ Beryllium monosulfide cation bes+  
273 AlO Aluminum monoxide alo  
274 AlO- Aluminum monoxide anion alo-  
275 AlO+ aluminum monoxide cation alo+  
276 BS boron sulfide bs  
277 BS- boron monosulfide anion bs-  
278 BS+ boron monosulfide cation bs+  
279 AlS Aluminum sulfide als  
280 AlS- aluminum monosulfide anion als-  
281 AlS+ aluminum monosulfide cation als+  
282 BO+ boron monoxide cation bo+  
283 CO Carbon monoxide co  
284 CS carbon monosulfide cs  
285 CS- carbon monosulfide anion cs-  
286 CS+ carbon monosulfide cation cs+  
287 SiO Silicon monoxide sio  
288 SiO- silicon monoxide anion sio-  
289 SiO+ silicon monoxide cation sio+  
290 SiS silicon monosulfide sis  
291 SiS- silicon monosulfide anion sis-  
292 SiS+ silicon monosulfide cation sis+  
293 CSe Carbon monoselenide cse  
294 CSe- Carbon monoselenide anion cse-  
295 CSe+ Carbon monoselenide cation cse+  
296 GeO Germanium monoxide geo  
297 GeS Germanium monosulfide ges  
298 SiSe Silicon Monoselenide sise  
299 GeSe Germanium monoselenide gese  
300 NO+ nitric oxide cation no+  
301 NS+ nitrogen sulfide cation ns+  
302 PO- phosphorus monoxide anion po-  
303 PO+ phosphorus monoxide cation po+  
304 PS- phosphorus monosulfide anion ps-  
305 PS+ phosphorus monosulfide cation ps+  
306 O2-- dioxygen dianion o2--  
307 SO- sulfur monoxide anion so-  
308 S2- sulfur diatomic anion s2-  
309 S2+ sulfur diatomic cation s2+  
310 SeO- selenium monoxide anion seo-  
311 SeO+ selenium monoxide cation seo+  
312 SeS Selenium monosulfide ses  
313 SeS- selenium monosulfide anion ses-  
314 SeS+ selenium monosulfide cation ses+  
315 TeO Tellurium monoxide teo  
316 Se2- selenium diatomic anion se2-  
317 Se2+ selenium diatomic cation se2+  
318 Te2 Tellurium diatomic te2  
319 LiOH lithium hydroxide lioh  
320 NaOH sodium hydroxide naoh  
321 KOH Potassium hydroxide koh  
322 MgOH magnesium hydroxide mgoh  
323 CaOH Calcium monohydroxide caoh  
324 HBO Boron hydride oxide hbo  
325 HBS hydrogen boron sulfide hbs  
326 COH+ Carbon Monoxide, protonated coh+  
327 HCS Thioformyl radical hcs  
328 HCS- Thioformyl anion hcs-  
329 HNS Sulfur imide hns  
330 HSO+ Sulfur Monoxide, S-protonated HSO+  
331 H2CO Formaldehyde h2co  
332 HOCH hydroxycarbene hoch  
333 H2CS Thioformaldehyde h2cs  
334 H2CSe Selenoformaldehyde h2cse  
335 H2O2 Hydrogen peroxide h2o2  
336 H2OO water oxide h2oo  
337 HOSH hydrogen thioperoxide hosh  
338 H2S2 Disulfane h2s2  
339 H2Se2 hydrogen diselenide h2se2  
340 CH2OH+ hydroxymethyl cation ch2oh+  
341 CH3O Methoxy radical ch3o  
342 CH3O- methoxy anion ch3o-  
343 CH3S thiomethoxy ch3s  
344 H2CSH+ Thioformaldehyde, protonated h2csh+  
345 NH2OH hydroxylamine nh2oh  
346 NH3O Ammonia Oxide nh3o  
347 H2POH Phosphinous acid h2poh  
348 H3PO Phosphine oxide h3po  
349 NH2SH Thiohydroxylamine nh2sh  
350 NH3S sulfidoazane nh3s  
351 H3O2+ hydrogen peroxide, protonated h3o2+  
352 CH3OH Methyl alcohol ch3oh  
353 CH3SH Methanethiol ch3sh  
354 SiH3OH silanol sih3oh  
355 CH3SeH Methane selenol ch3seh  
356 H2OH2O water dimer h2oh2o  
357 CH3OH2+ Methanol, protonated ch3oh2+  
358 CH3SH2+ protonated methylsulfide ch3sh2+  
359 H2ONH3 Water Ammonia Dimer h2onh3  
360 H5O2+ Dihydroxonium ion h5o2+  
361 LiF lithium fluoride lif  
362 LiCl lithium chloride licl  
363 LiCl- lithium chloride anion licl-  
364 LiCl+ lithium chloride cation licl+  
365 NaF sodium fluoride naf  
366 NaF- sodium fluoride anion naf-  
367 KF Potassium Fluoride kf  
368 NaCl Sodium Chloride nacl  
369 NaCl- sodium chloride anion nacl-  
370 NaCl+ sodium chloride cation nacl+  
371 KCl Potassium Chloride kcl  
372 CuF Copper monofluoride cuf  
373 LiBr Lithium Bromide libr  
374 LiBr- lithium bromide anion libr-  
375 LiBr+ lithium bromide cation libr+  
376 CuCl Copper monochloride cucl  
377 NaBr Sodium Bromide nabr  
378 NaBr- sodium bromide anion nabr-  
379 NaBr+ sodium bromide cation nabr+  
380 KBr Potassium Bromide kbr  
381 LiI Lithium Iodide lii  
382 NaI Sodium Iodide nai  
383 KI Potassium Iodide ki  
384 BeF Beryllium monofluoride bef  
385 BeCl beryllium monochloride becl  
386 MgF Magnesium monofluoride mgf  
387 MgF- magnesium fluoride anion mgf-  
388 MgF+ magnesium fluoride cation mgf+  
389 CaF Calcium monofluoride caf  
390 MgCl magnesium monochloride mgcl  
391 MgCl- magnesium monochloride anion mgcl-  
392 MgCl+ magnesium monochloride cation mgcl+  
393 CaCl calcium monochloride cacl  
394 ZnF- Zinc monofluoride anion znf-  
395 ZnF+ Zinc monofluoride cation znf+  
396 BeCl- beryllium monochloride anion becl-  
397 BeCl+ beryllium monochloride cation becl+  
398 BF Boron monofluoride bf  
399 BF- Boron monofluoride anion bf-  
400 BF+ Boron monofluoride cation bf+  
401 AlF Aluminum monofluoride alf  
402 AlF- Aluminum monofluoride anion alf-  
403 AlF+ Aluminum monofluoride cation alf+  
404 BCl boron monochloride bcl  
405 BCl- boron monochloride anion bcl-  
406 BCl+ boron monochloride cation bcl+  
407 AlCl Aluminum monochloride alcl  
408 AlCl- aluminum monochloride anion alcl-  
409 AlCl+ aluminum monochloride cation alcl+  
410 ScF Scandium monofluoride scf  
411 BBr Boron monobromide bbr  
412 AlBr Aluminum monobromide albr  
413 AlI Aluminum monoiodide ali  
414 GaBr Gallium monobromide gabr  
415 CF- carbon monofluoride anion cf-  
416 CF+ carbon monofluoride cation cf+  
417 CCl carbon monochloride ccl  
418 CCl- carbon monochloride anion ccl-  
419 CCl+ carbon monochloride cation ccl+  
420 SiF+ silicon monofluoride cation sif+  
421 SiCl- silicon monochloride anion sicl-  
422 SiCl+ silicon monochloride cation sicl+  
423 GeF+ Germanium monofluoride cation gef+  
424 GeCl+ Germanium monochloride cation gecl+  
425 NF nitrogen fluoride nf  
426 NF- nitrogen monofluorine anion nf-  
427 NF+ nitrogen monofluoirde cation nf+  
428 PF phosphorus monofluoride pf  
429 PF- phosphorus monofluoride anion pf-  
430 PF+ phosphorus monofluoride cation pf+  
431 PCl phosphorus chloride pcl  
432 PCl- phosphorus monochloride anion pcl-  
433 PCl+ phosphorus monochloride cation pcl+  
434 SbF Antimony monofluoride sbf  
435 SbCl Antimony monochloride sbcl  
436 FO- flourine oxide anion fo-  
437 FO+ fluorine monoxide cation fo+  
438 ClO- chlorine monoxide anion clo-  
439 SF- sulfur monofluoride anion sf-  
440 SCl- sulfur monochloride anion scl-  
441 BrO- Bromine monoxide anion bro-  
442 IO Iodine monoxide io  
443 BrCl Bromine monochloride brcl  
444 F2 Fluorine diatomic f2  
445 ClF Chlorine monofluoride clf  
446 ClF- clorine monofluoride anion clf-  
447 Cl2 Chlorine diatomic cl2  
448 BrF Bromine monofluoride brf  
449 BrF- bromine fluoride anion brf-  
450 BrF+ bromine fluoride cation brf+  
451 BrCl- bromine chloride anion brcl-  
452 BrCl+ bromine chloride cation brcl+  
453 IF Iodine monofluoride if  
454 Br2 Bromine diatomic br2  
455 ICl Iodine monochloride icl  
456 IBr Iodine monobromide ibr  
457 I2 Iodine diatomic i2  
458 I2+ Iodine diatomic cation i2+  
459 HCF Fluoromethylene hcf  
460 HCCl Chloromethylene hccl  
461 HSiF fluorosilylene hsif  
462 HSiCl Chlorosilylene hsicl  
463 HSiBr monobromosilylene hsibr  
464 CHBr bromomethylene chbr  
465 HOF Hypofluorous acid hfo  
466 DOCl Hypochlorous acid-d docl  
467 HOCl hypochlorous acid hocl  
468 HOBr Hypobromous acid hobr  
469 HOI Hypoiodous acid hoi  
470 F2H+ Fluorine, protonated f2h+  
471 FHF Hydrogen difluoride fhf  
472 FHF- Hydrogen difluoride anion fhf-  
473 ClFH+ Chlorine fluoride, F-protonated clfh+  
474 FClH+ Chlorine fluoride, Cl-protonated fclh+  
475 Cl2H+ Chlorine, protonated cl2h+  
476 CH2F+ fluoromethyl cation ch2f+  
477 CH2Cl+ chloromethyl cation ch2cl+  
478 NH2F monofluoroamine nh2f  
479 NH2Cl chloramine nh2cl  
480 H2F2 Hydrogen fluoride dimer h2f2  
481 CD3F methylfluoride-d3 cd3f  
482 CH3F Methyl fluoride ch3f  
483 CD3Cl methyl chloride d3 cd3cl  
484 CH3Cl Methyl chloride ch3cl  
485 SiH3F monofluorosilane sih3f  
486 SiH3Cl chlorosilane sih3cl  
487 GeH3F monofluorogermane geh3f  
488 GeH3Cl monochlorogermane geh3cl  
489 SiH3Br bromosilane sih3br  
490 CH3I methyl iodide ch3i  
491 SiH3I Silyl Iodide sih3i  
492 NH3Cl+ protonated monochloroammonia nh3cl+  
493 CH3ClH+ methyl chloride, protonated ch3clh+  
494 NH4Cl Ammonium chloride nh4cl  
495 LiNe+ Lithium Neon cation line+  
496 Ne2 Neon diatomic ne2  
497 Ar2 Argon diatomic ar2  
498 Li3+ Lithium trimer cation li3+  
499 C3+ carbon trimer cation c3+  
500 SiC2 Silicon dicarbide sic2  
501 C3H3 Propargyl radical propargyl  
502 C3H3- Propargyl anion c3h3-  
503 C3H4 cyclopropene cprop  
504 CH2CCH2 allene allene  
505 CH3CCH propyne propyne  
506 C3H5 Allyl radical allyl  
507 C3H5+ Allyl cation allyl+  
508 Zn(CH3)2 dimethyl zinc dmz  
509 C3H6 Cyclopropane c3h6  
510 CH2CHCH3 Propene propene  
511 C3H7+ cyclopropane, protonated c3h7+  
512 CH3CHCH3+ Isopropyl cation prop2yl+  
513 C3H8 Propane propane  
514 SiH2(CH3)2 dimethylsilane dms  
515 Si3H8 trisilane si3h8  
516 NaCN Sodium Cyanide nacn  
517 CuCN Copper cyanide cucn  
518 AlCN Aluminum monocyanide alcn  
519 AlNC Aluminum isocyanide alnc  
520 CN2 3H-Diazirin-3-ylidene cn2  
521 N3- azide anion n3-  
522 HCNN diazomethyl radical hcnn  
523 HNCNH diiminomethane hncnh  
524 CH2N2 diazirine ch2n2  
525 CH2NN diazomethane ch2nn  
526 NH2CN cyanamide cyanamide  
527 HNNNH+ 1,2-Triazadienium n2h3+  
528 NH2NN+ hydrazoic acid, protonated nh2nn+  
529 CH3CN Acetonitrile ch3cn  
530 CH3CN+ Acetonitrile cation ch3cn+  
531 CH3NC methyl isocyanide ch3nc  
532 CHNCH2 2H-Azirine c157164  
533 CHNHCH 1H-Azirine chnhch  
534 H2CCNH Ethenimine ch2cnh  
535 H2CNCH methyleneaminomethylene ch2nch  
536 HCCNH2 Ethynamine hccnh2  
537 HNCNH2+ diiminomethane, protonated hncnh2+  
538 NCNH3+ Cyanamide, protonated ncnh3+  
539 NH2CNH+ cyanamide, cn protonated nh2cnh+  
540 NH3CN+ cyanamide, amine protonated nh3cn+  
541 NHCHNH2 aminomethanimine cn2h4  
542 C2H5N Aziridine c2h5n  
543 CH2CHNH2 aminoethene aminoethene  
544 CH2NCH3 N-methylmethanimine nmm  
545 CH3CHNH ethanimine ethanimine  
546 NH2BHNH2 diaminoborane nh2bhnh2  
547 C2H5NH+ Protonated Aziridine c2h5nh+  
548 C2H6N+ aziridine, protonated c2h6n+  
549 NH2CH2NH2 diaminomethane nh2ch2nh2  
550 CH3CH2NH2 Ethylamine etam  
551 CH3NHCH3 Dimethylamine ch3nhch3  
552 CH3PHCH3 dimethylphosphine ch3phch3  
553 NH2CH2NH3+ diaminoethane, protonated pdam  
554 (CH3)2NH2+ dimethylammonium cation dmam  
555 CH3CH2NH3+ ethylamine, protonated pea  
556 Li2O dilithium oxide li2o  
557 Li2S dilithium sulfide li2s  
558 Na2O disodium monoxide na2o  
559 Na2S Sodium sulfide na2s  
560 CNO- fulminate cno-  
561 NCO- cyanate nco-  
562 SCN- thiocyanide anion scn-  
563 BO2 Boron dioxide bo2  
564 BO2- Boron dioxide anion bo2-  
565 N2O Nitrous oxide n2o  
566 NNS Nitrogen sulfide nns  
567 PPO Phosphorus oxide phosphide ppo  
568 CO2 Carbon dioxide co2  
569 OCS Carbonyl sulfide cos  
570 SiO2 silicon dioxide sio2  
571 CS2 Carbon disulfide cs2  
572 CS2+ Carbon disulfide cation cs2+  
573 TiO2 Titanium dioxide tio2  
574 SiS2 Silicon disulfide sis2  
575 GeO2 Germanium dioxide geo2  
576 OCSe Carbonyl selenide ocse  
577 SCSe Carbon sulfide selenide scse  
578 GeS2 Germanium disulfide ges2  
579 CSe2 Carbon diselenide cse2  
580 SCTe Carbon sulfide Telluride scte  
581 PO2 Phosphorus dioxide po2  
582 PO2- Phosphorus dioxide anion po2-  
583 O3 Ozone o3  
584 SSO Disulfur monoxide sso  
585 S3 Sulfur trimer s3  
586 SeO2 Selenium dioxide seo2  
587 TeO2 Tellurium Dioxide teo2  
588 CS2H+ Carbon disulfide, protonated cs2h+  
589 HCNO fulminic acid hcno  
590 HNCO Isocyanic acid hnco  
591 HOCN cyanic acid hocn  
592 HNCS Isothiocyanic acid hncs  
593 HSCN thiocyanic acid hscn  
594 HCO2- formate anion hco2-  
595 HNNO nitrosoazane hnno  
596 HNNO+ Nitrous oxide, N-protonated hnno+  
597 NNOH+ Nitrous Oxide, O-protonated nnoh+  
598 HNO2 Nitrous acid hno2  
599 O3H+ protonated ozone o3h+  
600 SO2H+ protonated sulfur dioxide so2h+  
601 C2H2O Oxirene oxirene  
602 CH2CO Ketene ch2co  
603 HCCOH ethynol hccoh  
604 CH2CS Thioketene ch2cs  
605 Mg(OH)2 Magnesium dihydroxide h2mgo2  
606 NH2NO Nitrosamide nh2no  
607 CH2O2 Dioxirane diox  
608 H2COO Dioxymethyl radical h2coo  
609 H2COO+ dioxymethyl cation h2coo+  
610 HCOOH Formic acid ch2o2  
611 H2O3 Hydrogen trioxide h2o3  
612 HSSSH trisulfane hsssh  
613 NaOCH3 Sodium methoxide naoch3  
614 CH2BOH hydroxy(methylene)borane ch2boh  
615 BH3CO Borane carbonyl bh3co  
616 CH3BO Borane, methyloxo- ch3bo  
617 CH2COH+ ketene, protonated ch2coh+  
618 CH3CO Acetyl radical ch3co  
619 CH3CO- Acetyl anion ch3co-  
620 CH3CO+ acetyl cation ch3co+  
621 CH2NOH formaldoxime ch2noh  
622 CH3NO nitrosomethane ch3no  
623 CHONH2 formamide formamide  
624 CNOH3 1,2-oxaziridine cnoh3  
625 HOCHNH hydroxymethylimine hochnh  
626 CHSNH2 thioformamide chsnh2  
627 NHCHSH Methanimidothioic acid nhchsh  
628 CH3OO methylperoxy radical ch3oo  
629 CH3OO- methylperoxy anion ch3oo-  
630 CH3OO+ methylperoxy cation ch3oo+  
631 C2H4O Ethylene oxide c2h4o  
632 CH2CHOH ethenol ch2choh  
633 CH3CHO Acetaldehyde ch3cho  
634 C2H4S Thiirane thiirane  
635 CH2CHSH Ethenethiol ch2chsh  
636 CH3CHS Thioacetaldehyde ch3chs  
637 H2CONH2+ protonated formamide h2conh2+  
638 NH2CHOH+ Formamide, O-protonated nh2choh+  
639 NH3CHO+ Formamide, N-Protonated nh3cho+  
640 CH2(OH)2 methanediol ch2o2h2  
641 CH3OOH Methyl peroxide ch3ooh  
642 CH3SSH Hydrogen methyl disulfide ch3ssh  
643 HSCH2SH Methanedithiol ch4s2  
644 H2OH2CO water formaldehyde dimer h2oh2co  
645 C2H4OH+ ethylene oxide, protonated c2h4oh+  
646 CH3CHOH+ acetaldehyde, protonated ch3choh+  
647 NH2CH2OH aminomethanol nh2ch2oh  
648 CH3CH2OH Ethanol etoh  
649 CH3OCH3 Dimethyl ether meome  
650 CH3CH2SH ethanethiol etsh  
651 CH3SCH3 Dimethyl sulfide mesme  
652 CH3SeCH3 dimethylselenide dmse  
653 CH3OHH2O methanol water dimer ch3ohh2o  
654 H2OCH3OH water methanol dimer h2och3oh  
655 CNF iso cyanogen fluoride cnf  
656 FCN Cyanogen fluoride fcn  
657 ClCN chlorocyanogen clcn  
658 BrCN Cyanogen bromide brcn  
659 ICN Cyanogen iodide icn  
660 FBO Boron monofluoride monoxide fbo  
661 BeF2 Beryllium fluoride bef2  
662 MgF2 Magnesium fluoride mgf2  
663 BeCl2 Beryllium chloride becl2  
664 MgCl2 Magnesium dichloride mgcl2  
665 CaCl2 Calcium Chloride cacl2  
666 BeBr2 Beryllium bromide bebr2  
667 CaBr2 Calcium dibromide cabr2  
668 CaF2 Calcium difluoride caf2  
669 FCO+ Carbonyl fluoride cation fco+  
670 FNO Nitrosyl fluoride fno  
671 ClNO Nitrosyl chloride clno  
672 FNS Thionitrosyl fluoride fns  
673 FSN Thiazyl fluoride fsn  
674 OPCl Phosphorus oxychloride opcl  
675 BrNO Nitrosyl bromide brno  
676 INO Nitrosyl iodide ino  
677 CF2 Difluoromethylene cf2  
678 CFCl chlorofluoromethylene cfcl  
679 SiF2 Silicon difluoride sif2  
680 CCl2 dichloromethylene ccl2  
681 CCl2- dichloromethylene anion ccl2-  
682 SiCl2 Dichlorosilylene sicl2  
683 GeF2 Germanium difluoride gef2  
684 GeCl2 Germanium dichloride gecl2  
685 CBr2 dibromomethylene cbr2  
686 FOO Dioxygen monofluoride radical foo  
687 ClOO chloroperoxy radical cloo  
688 ClS2 Sulfur chloride cls2  
689 NF2 Difluoroamino radical nf2  
690 PF2+ Phosphorus difluoride cation pf2+  
691 FClO chlorosyl fluoride fclo  
692 F2O Difluorine monoxide f2o  
693 ClOF Chlorine hypofluorite clof  
694 SF2 sulfur difluoride sf2  
695 Cl2O Dichlorine monoxide cl2o  
696 SCl2 Sulfur dichloride scl2  
697 SeF2 Selenium difluoride sef2  
698 BrOCl Bromine hypochlorite brocl  
699 SeCl2 Selenium Dichloride secl2  
700 SBr2 Sulfur dibromide sbr2  
701 SeBr2 Selenium dibromide sebr2  
702 BrOBr Bromine oxide brobr  
703 F3- trifluoride anion f3-  
704 Cl3- trichloride anion cl3-  
705 Br3- tribromide anion br3-  
706 I3- triiodide i3-  
707 SFCl Sulfur chloride fluoride sfcl  
708 HCCF Fluoroacetylene hccf  
709 HCCCl Chloroacetylene hcccl  
710 HCCBr bromoacetylene hccbr  
711 HFCO formyl fluoride hfco  
712 COHCl Formyl chloride cohcl  
713 COHBr Formyl bromide cohbr  
714 BHF2 Difluoroborane bhf2  
715 BHCl2 Borane, dichloro- bhcl2  
716 CHF2+ difluoromethyl cation chf2+  
717 CHFCl+ Chlorofluoromethyl cation chfcl+  
718 CHCl2+ dichloromethyl cation chcl2+  
719 HOClO Chlorous acid hoclo  
720 NHF2 difluoramine nhf2  
721 NHCl2 dichloroamine nhcl2  
722 CH2F2 Methane, difluoro- ch2f2  
723 CH2FCl fluorochloromethane ch2fcl  
724 SiH2F2 difluorosilane sih2f2  
725 CH2Cl2 Methylene chloride ch2cl2  
726 CH2BrF Methane, bromofluoro- ch2fbr  
727 CH2BrCl Methane, bromochloro- ch2clbr  
728 CH2FI fluoroiodomethane ch2fi  
729 CH2Br2 dibromomethane ch2br2  
730 CH2ClI chloroiodomethane ch2cli  
731 CH2BrI bromoiodomethane ch2bri  
732 CH2I2 Diiodomethane ch2i2  
733 SiH2Cl2 dichlorosilane sih2cl2  
734 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
735 CH2CHF+ fluoroethene cation ch2chf+  
736 C2H3Cl Ethene, chloro- ch2chcl  
737 C2H3Br vinyl bromide c2h3br  
738 C2H3I Vinyl iodide c2h3i  
739 CH2FOH fluoromethanol ch2foh  
740 CH3OCl methyl hypochlorite ch3ocl  
741 C2H5F fluoroethane c2h5f  
742 CH3CH2Cl Ethyl chloride c2h5cl  
743 CH3SiFH2 fluoromethylsilane ch3sifh2  
744 C2H5Br Ethyl bromide etbr  
745 C2H5I Ethyl iodide c2h5i  
746 KrF2 Krypton difluoride krf2  
747 XeF2 Xenon difluoride xef2  
748 B4H10 Tetraborane(10) b4h10  
749 C4+ Carbon tetramer cation c4+  
750 C4H2 Diacetylene c4h2  
751 C2H3CCH 1-Buten-3-yne c2h3cch  
752 C4H4 cyclobutadiene cbd  
753 C4H4 Tetrahedrane c4h4  
754 H2CCCCH2 Butatriene h2cccch2  
755 C4H6 1-Methylcyclopropene c3100047  
756 C4H6 Cyclobutene c822355  
757 C4H6 Methylenecyclopropane c6142730  
758 CH2CCHCH3 1,2-Butadiene butad12  
759 CH2CHCHCH2 1,3-Butadiene c106990  
760 CH3CCCH3 2-Butyne c503173  
761 CHCCH2CH3 1-Butyne c107006  
762 CH3CHCHCH2 methylallyl radical c4h7  
763 C4H8 methylcyclopropane mcp  
764 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
765 CH2CHCH2CH3 1-Butene bute1  
766 CH3CHCHCH3 2-Butene, (E)- bute2e  
767 CH3CHCHCH3 2-Butene, (Z)- bute2z  
768 B(CH3)3 trimethylborane bme3  
769 Al(CH3)3 trimethyl aluminum tma  
770 C(CH3)3 Tert-butyl radical tbutyl  
771 CH2CH(CH3)2 Isobutyl radical isobutyl  
772 CH3CHCH2CH3 2-Butyl radical butyl2  
773 CH3CH(CH3)CH3 Isobutane isobutane  
774 CH3CH2CH2CH3 Butane butane  
775 SiH(CH3)3 trimethylsilane trimsi  
776 Li3N trilithium nitride li3n  
777 C2N2 Cyanogen c2n2  
778 P4 Phosphorus tetramer p4  
779 As4 Arsenic tetramer as4  
780 HCCCN Cyanoacetylene hcccn  
781 H2CNCN cyanamide, methylene ch2ncn  
782 HNCCNH Ethenediimine hnccnh  
783 C3H3N acrylonitrile ch2chcn  
784 CH3N3 methyl azide ch3n3  
785 NH2CCNH2 Diaminoacetylene daa  
786 NH2CH2CN Aminoacetonitrile aan  
787 CH3NHN2+ methyl azide, protonated ch3nhn2+  
788 C2H5CN ethyl cyanide c2h5cn  
789 CH5N3 Guanidine guanidine  
790 C4H6 Bicyclo[1.1.0]butane c157335  
791 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
792 H2NCHCHNH2 diaminoethylene dae  
793 CH6N3+ guanidinium ch6n3+  
794 C3H7N Cyclopropylamine cpram  
795 CH7N3 triaminomethane tam  
796 C3H7N Azetidine azet  
797 C4H8 cyclobutane cbutane  
798 C2H8N2 Ethylenediamine ethdiam  
799 CH3NHNHCH3 dimethyl hydrazine dmh  
800 CH3CH(NH2)CH3 2-Propanamine pram2  
801 N(CH3)3 Trimethylamine trimeam  
802 NH2CH2CH2CH3 1-Propanamine pram1  
803 P(CH3)3 trimethylphosphine tmp  
804 N(SiH3)3 trisilylamine tsa  
805 As(CH3)3 trimethyl arsine tmas  
806 (CH3)3NH+ protonated trimethyl amine ptma  
807 C3H7NH3+ n-propylamine, protonated c3h7nh2  
808 Li2O2 dilithium dioxide li2o2  
809 Na2O2 disodium dioxide na2o2  
810 K2O2 dipotassium dioxide k2o2  
811 C3O Tricarbon monoxide c3o  
812 B2O2 Diboron dioxide b2o2  
813 ONNO NO dimer onno  
814 S2N2 Disulfur dinitride s2n2  
815 CO3 Carbon trioxide co3  
816 CO3-- carbonate co3--  
817 CS3-- Carbonotrithioate cs3--  
818 NO3 Nitrogen trioxide no3  
819 NO3- nitrate anion no3-  
820 SO3 Sulfur trioxide so3  
821 SO3-- Sulfate dianion so3--  
822 SeO3 selenium trioxide seo3  
823 S4 Sulfur tetramer s4  
824 TeO3 Tellurium trioxide teo3  
825 HNO3 Nitric acid hno3  
826 HSO3 Hydroxysulfonyl radical hso3  
827 NH2NO2 nitramide nh2no2  
828 C2H2CO cyclopropenone c2h2co  
829 C3H2O Propadienal c3h2o  
830 HCCCHO 2-propynal hcccho  
831 C2H2O2+ Ethanedial cation c2h2o2+  
832 H2CO3 Carbonic acid h2co3  
833 H2CS3 thiocarbonic acid h2cs3  
834 H2NO3+ Nitric Acid, Protonated h2no3+  
835 H2SO3 Sulfurous acid h2so3  
836 C2H3NO Nitrosoethylene c2h3no  
837 CH3NCO methylisocyante ch3nco  
838 HOCH2CN cyanomethanol hoch2cn  
839 CH3COO- acetate anion ch3coo-  
840 CH3NO2 Methane, nitro- ch3no2  
841 CH3ONO Methyl nitrite ch3ono  
842 NH2COOH Carbamic acid nh2cooh  
843 H3BO3 Boric acid h3bo3  
844 H3AlO3 Aluminum hydroxide h3alo3  
845 H3CO3+ carbonic acid, protonated h3co3+  
846 C3H4O 2-Propyn-1-ol c107197  
847 C3H4O allenol c9000071  
848 C3H4O Cyclopropanone cpone  
849 C3H4O Methylketene c6004440  
850 CH2CHCHO Acrolein c3h4o  
851 NH2CONH2 Urea urea  
852 NH2CONH2+ Urea cation urea+  
853 NH2CSNH2 Thiourea thiourea  
854 C2H4O2 1,3-dioxetane c2h4o2  
855 CH3COOH Acetic acid ch3cooh  
856 CH3OCHO methyl formate ch3ocho  
857 CHOCH2OH hydroxy acetaldehyde haa  
858 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
859 NH3COOH+ protonated Carbamic acid nh3cooh+  
860 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
861 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
862 HCOOHH2O Formic acid water dimer hcoohh2o  
863 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
864 CH2C(OH)NH2 1-amino vinyl alchohol ava  
865 CH3C(OH)=NH Ethaninidic acid eia  
866 CH3CHNOH Acetaldoxime acetaldoxime  
867 CH3CONH2 Acetamide acetamide  
868 HCONHCH3 N-methylformamide nmfa  
869 CH3CSNH2 Ethanethioamide ch3csnh2  
870 CH5N2O+ urea, N-protonated ch4n2o+  
871 H2NCOHNH2+ urea, protonated ureah+  
872 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
873 C3H5OH Cyclopropanol cproh  
874 C3H6O 2-Propen-1-ol c107186  
875 C3H6O Acetone enol enol  
876 C3H6O Oxetane oxetane  
877 C3H6O Propylene oxide prox  
878 CH3CH2CHO Propanal propanal  
879 CH3COCH3 Acetone acetone  
880 C3H6S Thietane thietane  
881 C3H6S Thiirane, methyl- methiirane  
882 CH3CSCH3 Thioacetone ch3csch3  
883 C2H6O2 1,2-Ethanediol ethdiol  
884 CH3OOCH3 dimethylperoxide dmp  
885 CH3SOCH3 Dimethyl sulfoxide dmso  
886 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
887 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
888 CH3COHCH3+ acetone, protonated acetoneh+  
889 HOCH2CH2NH2 monoethanolamine mea  
890 C3H7OH 1-Propanol proh  
891 CH3CHOHCH3 Isopropyl alcohol isoproh  
892 CH3OC2H5 Ethane, methoxy- etome  
893 C3H7SH 1-Propanethiol prsh  
894 CH3CHSHCH3 2-Propanethiol isoprsh  
895 CH3SCH2CH3 Ethane, (methylthio)- etsme  
896 H2OCH3OCH3 water dimethylether dimer h2och3och3  
897 Li2F2 Lithium fluoride dimer li2f2  
898 Na2F2 Sodium Fluoride Dimer na2f2  
899 Na2Cl2 Disodium dichloride na2cl2  
900 C2F2 difluoroacetylene c2f2  
901 C2Cl2 dichloroacetylene c2cl2  
902 FNO2 Nitryl fluoride fno2  
903 FONO Nitrosyl hypofluorite fono  
904 ClNO2 Nitryl chloride clno2  
905 BrONO Bromine nitrite brono  
906 N2F2 (Z)-Difluorodiazene n2f2_z  
907 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
908 CF2O Carbonic difluoride f2co  
909 COFCl Carbonic chloride fluoride cofcl  
910 CCl2O Phosgene cl2co  
911 Cl2CS Thiophosgene cl2cs  
912 COBr2 Carbonic dibromide cobr2  
913 BF3 Borane, trifluoro- bf3  
914 AlF3 Aluminum trifluoride alf3  
915 BClF2 Chlorodifluoroborane bclf2  
916 AlF2Cl Aluminum chloride difluoride alclf2  
917 ScF3 Scandium trifluoride ScF3  
918 AlFCl2 Aluminum dichloride fluoride alcl2f  
919 BCl3 Borane, trichloro- bcl3  
920 GaF3 Gallium trifluoride gaf3  
921 AlCl3 Aluminum trichloride alcl3  
922 GaCl3 Gallium trichloride gacl3  
923 BBr3 Boron tribromide bbr3  
924 AlBr3 Aluminum Bromide albr3  
925 ClO3 Chlorine trioxide clo3  
926 ClO3- chlorate anion clo3-  
927 BrO3- Bromate anion bro3-  
928 CF3 Trifluoromethyl radical cf3  
929 CCl3 Trichloromethyl radical ccl3  
930 SiCl3 trichlorosilyl radical sicl3  
931 SiCl3+ trichlorosilyl cation sicl3+  
932 FOOF Perfluoroperoxide foof  
933 ClO2F Chloryl fluoride clo2f  
934 F2SO Thionyl Fluoride f2so  
935 ClOOCl Dichlorine dioxide cloocl  
936 FSSF Difluorodisulfane fssf  
937 S2F2 Thio-thionyl fluoride s2f2  
938 SOCl2 thionyl chloride socl2  
939 SSCl2 Thiothionyl chloride sscl2  
940 SeOCl2 selenium oxychloride seocl2  
941 PF3 Phosphorus trifluoride pf3  
942 NCl3 nitrogen trichloride ncl3  
943 AsF3 Arsenic trifluoride asf3  
944 PCl3 Phosphorus trichloride pcl3  
945 SbF3 Antimony Trifluoride sbf3  
946 AsCl3 Arsenous trichloride ascl3  
947 SbCl3 Antimony Trichloride sbcl3  
948 PBr3 Phosphorus tribromide pbr3  
949 AsBr3 Arsenic tribromide asbr3  
950 NI3 Nitrogen triiodide ni3  
951 PI3 Phosphorus triiodide pi3  
952 ClSSCl Disulfur dichloride s2cl2  
953 ClF3 Chlorine trifluoride clf3  
954 BrF3 Bromine trifluoride brf3  
955 IF3 iodone trifluoride if3  
956 HClO3 Chloric Acid hclo3  
957 CHF3 Methane, trifluoro- chf3  
958 CHF2Cl difluorochloromethane chf2cl  
959 SiHF3 trifluorosilane sihf3  
960 CHFCl2 fluorodichloromethane chfcl2  
961 CDCl3 trichloromethane-d cdcl3  
962 CHCl3 Chloroform chcl3  
963 CHBrF2 Methane, bromodifluoro- chbrf2  
964 SiHCl3 Trichlorosilane sihcl3  
965 CHFClBr fluorochlorobromomethane chfclbr  
966 CHBrCl2 Methane, bromodichloro- chbrcl2  
967 CHF2I difluoroiodomethane chf2i  
968 CHBr2F dibromofluoromethane chbr2f  
969 CHFClI fluorochloroiodomethane chfcli  
970 CHCl2I dichloroiodomethane chcl2i  
971 CHClBr2 Methane, dibromochloro- chclbr2  
972 CHBr3 bromoform chbr3  
973 CHI3 Iodoform chi3  
974 NF3H+ protonated nitrogen trifluoride nf3h+  
975 AsF3H+ Arsenic trifluoride, protonated asf3h+  
976 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
977 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
978 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
979 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
980 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
981 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
982 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
983 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
984 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
985 C2H2Br2 1,1-dibromoethene c2h2br2  
986 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
987 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
988 CH2FCHO Fluoroacetaldehyde ch2fcho  
989 CH3COF Acetyl fluoride ch3cof  
990 CH2ClCHO chloroacetaldehyde ch2clcho  
991 CH3COCl Acetyl Chloride ch3cocl  
992 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
993 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
994 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
995 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
996 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
997 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
998 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
999 CH2CFCH3 2-fluoropropene 2fpro  
1000 CH2CHCH2F Allyl Fluoride allylf  
1001 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1002 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1003 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1004 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1005 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1006 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1007 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1008 CH2FCH2CH3 1-Fluoropropane prf1  
1009 CH3CHFCH3 2-Fluoropropane prf2  
1010 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1011 CH3CHClCH3 Propane, 2-chloro- prcl2  
1012 CH3CH2CH2Br n-propyl bromide prbr  
1013 CH3CHBrCH3 i-propyl bromide iprbr  
1014 C3H9O+ trimethyl oxonium cation c3h9o+  
1015 B5H9 pentaborane9 b5h9  
1016 C5H4 pentatetraene ptrene  
1017 C5H5 cyclopentadienyl radical c5h5  
1018 C5H5- cylopentadienyl anion c5h5-  
1019 C5H6 1,3-Cyclopentadiene c542927  
1020 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1021 C5H6 3-Penten-1-yne, (E)- c2004695  
1022 C5H6 3-Penten-1-yne, (Z)- c1574409  
1023 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1024 C5H6 Cyclopropylacetylene c6746947  
1025 C5H6 Propellane propellane  
1026 C5H7 1,3-pentadienyl radical pdyl  
1027 C5H7 cyclopentenyl radical cpyl  
1028 C5H8 1,2-Butadiene, 3-methyl- c598254  
1029 C5H8 1,2-Pentadiene c591957  
1030 C5H8 1,3-Butadiene, 2-methyl- c78795  
1031 C5H8 1,3-Pentadiene, (E)- c2004708  
1032 C5H8 1,3-Pentadiene, (Z)- c1574410  
1033 C5H8 1,4-Pentadiene c591935  
1034 C5H8 1-pentyne a1pentyne  
1035 C5H8 2,3-Pentadiene c591968  
1036 C5H8 Bicyclo[1.1.1]pentane bcp  
1037 C5H8 Cyclobutane, methylene- c1120565  
1038 C5H8 Cyclopentene c142290  
1039 C5H8 Ethenylcyclopropane c693867  
1040 CH3CCCH2CH3 2-Pentyne 2pentyne  
1041 C5H10 1-Butene, 2-methyl- c563462  
1042 C5H10 2-Butene, 2-methyl- c513359  
1043 C5H10 2-Pentene, (E)- c646048  
1044 C5H10 2-Pentene, (Z)- c627203  
1045 C5H10 Cyclopentane c287923  
1046 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1047 CH2CHCH2CH2CH3 1-pentene pentene  
1048 C5H11 2-Methylbut-2-yl radical c4348350  
1049 C5H12 Butane, 2-methyl- buta2  
1050 C5H12 Pentane pentane  
1051 C5H12 Propane, 2,2-dimethyl- neopentane  
1052 Si(CH3)4 tetramethylsilane tms  
1053 N2O3 Dinitrogen trioxide n2o3  
1054 C3H2N2 Malononitrile c3h2n2  
1055 CH2N4 1H-Tetrazole 1htz  
1056 C3H3N2- imidizolyl anion im-  
1057 C2H3N3 1H-1,2,4-Triazole c288880  
1058 C4H4N- pyrrolide anion c4h4n-  
1059 C3H4N2 1H-Pyrazole 1hpyraz  
1060 C3H4N2 2H-Imidazole imid2h  
1061 C3H4N2 4H-Imidazole imid4h  
1062 C4H5N (E)-2-Butenenitrile c627269  
1063 C4H5N (Z)-2-Butenenitrile c1190767  
1064 C4H5N 2H-pyrrole pyrrole2  
1065 C4H5N 3H-pyrrole pyrrole3  
1066 C4H5N Cyclopropanecarbonitrile c5500210  
1067 C4H5N Pyrrole pyrrole  
1068 CH2CHCH2CN Allylcyanide ch2chch2cn  
1069 C4H6N+ pyrrole, alpha-protonated appyr  
1070 C4H6N+ pyrrole, beta-protonated bppyr  
1071 C4H6N+ pyrrole, protonated ppyr  
1072 C3H6N2 3-Aminopropionitrile c151188  
1073 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1074 CH3CH2CH2CN Butanenitrile c109740  
1075 C5H8 Bicyclo[2.1.0]pentane c185944  
1076 C5H8 Spiropentane c157404  
1077 C4H9N Cyclobutylamine cbam  
1078 C4H9N Pyrrolidine pyrrolidine  
1079 C3H10N2 1,2-Diaminopropane diampr12  
1080 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1081 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1082 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1083 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1084 NH(C2H5)2 diethylamine dea  
1085 NC4H12+ tetramethyl ammonium cation nc4h12+  
1086 C3O2 Carbon suboxide c3o2  
1087 B2O3 diboron trioxide b2o3  
1088 MgCO3 Magnesium Carbonate mgco3  
1089 BeCO3 Beryllium Carbonate beco3  
1090 CaCO3 Calcium Carbonate caco3  
1091 ONONO Nitrosyl nitrite onono  
1092 PO4--- phosphate po4---  
1093 SO4-- sulfate so4--  
1094 HOONO2 peroxy nitric acid hoono2  
1095 HSO4- bisulfate anion hso4-  
1096 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1097 C3H2O2 Propiolic acid c3h2o2  
1098 CHOCOOH oxo acetic acid oaa  
1099 CHOOCHO diformyl ether choocho  
1100 H2SO4 Sulfuric acid h2so4  
1101 H2SeO4 Selenic acid h2seo4  
1102 C3H3NO Isoxazole isox  
1103 C3H3NO Oxazole oxazole  
1104 C3H3NS Thiazole thiazole  
1105 CH3C(O)OO acetyl peroxy radical ch3coo2  
1106 CH3NO3 Methyl nitrate ch3no3  
1107 H3PO4 Phosphoric Acid h3po4  
1108 C4H4O Furan furan  
1109 C4H4O+ Furan cation furan+  
1110 CH3COCCH 3-butyn-2-one c1423605  
1111 C4H4S Thiophene furans  
1112 C4H4Se selenophene c4h4se  
1113 C3H4O2 β–Propiolactone beta  
1114 C3H4O2 2-Propenoic acid propenoic2  
1115 C3H4O2 Methyl glyoxal megly  
1116 C3H4O2 propanedial propanedial  
1117 C3H4O2 propenalol propenalol  
1118 HOCHCCHOH allenediol aldiol  
1119 C2H4O3 1,2,3-trioxolane c2h4o3  
1120 C2H4O3 trioxolane124 triox  
1121 HOCH2COOH Hydroxyacetic acid hac  
1122 CH2CHCONH2 Acrylamide c79061  
1123 CH3OCH2CN Methoxyacetonitrile c1738369  
1124 CH5N3S Hydrazinecarbothioamide c79196  
1125 H2NCH2COOH Glycine glycine  
1126 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1127 C4H6O cis-2-butenal butenal2c  
1128 C4H6O Cyclobutanone cbutone  
1129 C4H6O Furan, 2,3-dihydro- furan23h  
1130 C4H6O Furan, 2,5-dihydro- furan25h  
1131 CH2CHOCHCH2 Vinyl ether vinylether  
1132 CHOCHCHCH3 2-Butenal butenal2  
1133 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1134 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1135 CH2CHSCHCH2 Divinyl sulfide divis  
1136 C2H6N2O Urea, methyl- c598505  
1137 C3H6O2 1,3-Dioxolane dioxolane  
1138 CH3CH2COOH Propanoic Acid propanoic  
1139 CH3COOCH3 methyl acetate aame  
1140 HCOOC2H5 Ethyl formate faee  
1141 C2H6O2S Dimethyl sulfone c67710  
1142 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1143 C3H7NO dimethylformamide dmf  
1144 C3H7NO Propanamide propanam  
1145 C2H3OC2H5 Ethene, ethoxy- c109922  
1146 C4H8O Cyclobutanol c2919235  
1147 C4H8O Furan, tetrahydro- thf  
1148 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1149 CH3COCH2CH3 2-Butanone buta2one  
1150 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1151 CHOCH2CH2CH3 Butanal butanal  
1152 C4H8S Thiophene, tetrahydro- tht  
1153 C3H8O2 1,3-Propanediol c504632  
1154 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1155 C3H8O2 Methane, dimethoxy- c109875  
1156 C3H8O2 Propylene glycol c57556  
1157 C3H8S2 1,3-Propanedithiol c109808  
1158 C4H10O 1-Butanol butanol1  
1159 C4H10O 1-Propanol, 2-methyl- c78831  
1160 C4H10O 2-Butanol, (.+/-.)- butanol2  
1161 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1162 C4H10O Ethoxy ethane etoet  
1163 C4H10O Methyl propyl ether meopr  
1164 C4H10O Propane, 2-methoxy- c598538  
1165 C4H10O+ 1-Butanol cation butanol1+  
1166 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1167 C2H5SC2H5 Diethyl sulfide etset  
1168 C4H9SH 1-Butanethiol bush  
1169 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1170 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1171 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1172 FNO3 Fluorine nitrate fno3  
1173 ClONO2 Chlorine nitrate clono2  
1174 BrONO2 Bromine nitrate brono2  
1175 TiCl4 Titanium tetrachloride ticl4  
1176 ClO4- perchlorate anion clo4-  
1177 BF4- tetrafluoroboron anion bf4-  
1178 ClFO3 Perchloryl fluoride clfo3  
1179 SO2F2 Sulfuryl fluoride so2f2  
1180 SO2Cl2 Sulfuryl chloride so2cl2  
1181 F3NO Nitrogen trifluoride oxide f3no  
1182 F3PO Phosphoryl fluoride pf3o  
1183 Cl3PO Phosphoryl chloride pcl3o  
1184 CF4 Carbon tetrafluoride cf4  
1185 CF3Cl Methane, chlorotrifluoro- cf3cl  
1186 SiF4 Silicon tetrafluoride sif4  
1187 CF2Cl2 difluorodichloromethane cf2cl2  
1188 TiF4 Titanium tetrafluoride tif4  
1189 CFCl3 Trichloromonofluoromethane cfcl3  
1190 CF3Br Bromotrifluoromethane cf3br  
1191 GeF4 Germanium tetrafluoride gef4  
1192 CCl4 Carbon tetrachloride ccl4  
1193 CCl4+ Carbon tetrachloride cation ccl4+  
1194 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1195 SiCl4 Silane, tetrachloro- sicl4  
1196 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1197 CF3I trifluoroiodomethane cf3i  
1198 CBrCl3 Methane, bromotrichloro- cbrcl3  
1199 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1200 GeCl4 Germanium Tetrachloride gecl4  
1201 CBr2ClF dibromochlorofluoromethane cbr2clf  
1202 CBr2Cl2 dibromodichloromethane cbr2cl2  
1203 CCl3I trichloroiodomethane ccl3i  
1204 CFBr3 fluorotribromomethane cfbr3  
1205 CFClBrI fluorochlorobromoiodomethane cfclbri  
1206 CBr3Cl tribromochloromethane cbr3cl  
1207 CF2I2 difluorodiiodomethane cf2i2  
1208 CBr4 Carbon tetrabromide cbr4  
1209 CCl2I2 dichlorodiiodomethane ccl2i2  
1210 SiBr4 Silicon tetrabromide sibr4  
1211 CBr3I tribromoiododmethane cbr3i  
1212 GeBr4 Germanium tetrabromide gebr4  
1213 CI4 tetraiodomethane ci4  
1214 SiI4 silicon tetraiodide sii4  
1215 ClOF3 Chlorine trifluoride oxide clof3  
1216 SF4 Sulfur tetrafluoride sf4  
1217 SeF4 Selenium tetrafluoride sef4  
1218 SCl4 Sulfur tetrachloride scl4  
1219 C2HF3 Trifluoroethylene c2hf3  
1220 CHClCCl2 Trichloroethylene chclccl2  
1221 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1222 HClO4 perchloric acid hclo4  
1223 HSO3F Fluorosulfonic acid hso3f  
1224 CF3OH trifluoromethanol cf3oh  
1225 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1226 CHClCCHCl 1,3-dichloroallene chclcchcl  
1227 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1228 CHCl2CHO dichloroacetaldehyde chcl2cho  
1229 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1230 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1231 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1232 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1233 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1234 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1235 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1236 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1237 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1238 NH3BCl3 Amminetrichloroboron nh3bcl3  
1239 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1240 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1241 C3H5ClO Oxirane, (chloromethyl)- c106898  
1242 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1243 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1244 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1245 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1246 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1247 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1248 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1249 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1250 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1251 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1252 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1253 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1254 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1255 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1256 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1257 C4H9F 1-fluorobutane butaf1  
1258 CH3CHFCH2CH3 2-fluorobutane butaf2  
1259 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1260 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1261 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1262 XeF4 Xenon tetrafluoride xef4  
1263 C2H2N2O Furazan furazan  
1264 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1265 NH3BF3 Amminetrifluoroboron nh3bf3  
1266 C6H2 hexatriyne c6h2  
1267 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1268 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1269 C6H4 Benzyne benzyne  
1270 C6H5 phenyl phenyl  
1271 C6H5- phenyl anion phenyl-  
1272 C6H6 Prismane prismane  
1273 C6H6 1,2,4,5-Hexatetraene ht1245  
1274 C6H6 2,4-Hexadiyne hexadiyne  
1275 C6H6 3,4-Dimethylenecyclobutene cb34m  
1276 C6H6 Benzene benzene  
1277 C6H6 Benzvalene bv  
1278 C6H6 Dewar Benzene dewar  
1279 C6H6 Hexa-1,5-diene-3-yne hdy153  
1280 C6H6 Trimethylenecycopropane tmcp  
1281 C6H6+ Benzene cation c6h6+  
1282 C6H7+ benzene, protonated c6h7+  
1283 C6H8 (E)-hexa-1,3,5-triene c821078  
1284 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1285 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1286 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1287 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1288 C6H8 3-Methylenecyclopentene c930267  
1289 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1290 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1291 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1292 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1293 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1294 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1295 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1296 C6H10 1,5-Hexadiene c592427  
1297 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1298 C6H10 1-Hexyne hexyne1  
1299 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1300 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1301 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1302 C6H10 2-Hexyne c764352  
1303 C6H10 3-Hexyne hexyne3  
1304 C6H10 cyclohexene cyclohexene  
1305 C6H10 Cyclopentene, 1-methyl- c693890  
1306 C6H10 Cyclopentene, 3-methyl- c1120623  
1307 C6H10 Cyclopentene, 4-methyl- c1759815  
1308 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1309 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1310 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1311 C6H12 (E)-2-Hexene e2hexene  
1312 C6H12 (E)-3-methylpent-2-ene c616126  
1313 C6H12 (E)-hex-3-ene e3hexene  
1314 C6H12 (Z)-3-methylpent-2-ene c922623  
1315 C6H12 (Z)-hex-2-ene z2hexene  
1316 C6H12 (Z)-hex-3-ene z3hexene  
1317 C6H12 2,3-dimethylbut-1-ene c563780  
1318 C6H12 2,3-dimethyl-but-2-ene tmeet  
1319 C6H12 3-methylenepentane c760214  
1320 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1321 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1322 C6H12 Cyclohexane cyclohexane  
1323 C6H12 Cyclopentane, methyl- c96377  
1324 C6H12 Ethylcyclobutane c4806615  
1325 C6H12 hex-1-ene hexene1  
1326 C6H14 Butane, 2,2-dimethyl- buta22  
1327 C6H14 Butane, 2,3-dimethyl- buta23  
1328 C6H14 Hexane hexane  
1329 C6H14 Pentane, 2-methyl- penta2  
1330 C6H14 Pentane, 3-methyl- penta3  
1331 C4N2 2-Butynedinitrile c4n2  
1332 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1333 C4H2N2 Fumaronitrile c4h2n2  
1334 C2H2N4 sym-tetrazine ttz  
1335 C3H3N3 1,3,5-Triazine triazine135  
1336 CH3N5 5-Aminotetrazole c4418615  
1337 C4H4N2 1,3-Diazine diazine13  
1338 C4H4N2 Pyrazine pyrazine  
1339 C4H4N2 Pyridazine pyridazine  
1340 C4H4N2 Succinonitrile c110612  
1341 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1342 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1343 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1344 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1345 C5H5N E-2,4-pentadienenitrile bdcn  
1346 C5H5N Pyridine pyridine  
1347 B3N3H6 borazine borazine  
1348 C6H6 Fulvene fulvene  
1349 C5H6N+ Pyridinium c5h6n  
1350 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1351 C5H7N (E)-2-Pentenenitrile c26294984  
1352 C5H7N (E)-3-Pentenenitrile c16529661  
1353 C5H7N (Z)-2-Pentenenitrile c25899507  
1354 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1355 C5H7N Cyclobutanecarbonitrile c4426113  
1356 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1357 C5H9N Butanenitrile, 2-methyl- c18936179  
1358 C5H9N Pentanenitrile c110598  
1359 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1360 C6H10 Bicyclo[3.1.0]hexane c285585  
1361 C5H11N Cyclopentanamine cypentam  
1362 C5H11N Piperidine piper  
1363 C4H12N2 1,2-Butanediamine c4426486  
1364 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1365 Li2CO3 Lithium Carbonate li2co3  
1366 Na2CO3 Sodium Carbonate na2co3  
1367 C2O4-- oxalate anion c2o4  
1368 MgSO4 Magnesium Sulfate mgso4  
1369 N2O4 Dinitrogen tetroxide n2o4  
1370 C3H2O3 vinylene carbonate vica  
1371 C2H2O4 Oxalic Acid oxalic  
1372 C2H3NO3 Oxamic acid oxamic  
1373 C4H4O2 2(5H)-Furanone furanone  
1374 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1375 C2H4N2O2 Oxalamide oxalamide  
1376 C2H4N2S2 Ethanedithioamide c79403  
1377 C2H4CO3 Ethylene carbonate etco3  
1378 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1379 C3H4S3 1,3-Dithiolane-2-thione c822388  
1380 C2H4O4 Formic acid dimer fadimer  
1381 C4H5NO 3-Methylisoxazole isox3m  
1382 C4H5NO Isoxazole, 5-methyl- c5765446  
1383 C4H5NS 4-Methylthiazole c693958  
1384 C2H5NO3 Nitric acid, ethyl ester c625581  
1385 C5H6O 2H-Pyran pyran2  
1386 C5H6O 2-methylfuran furan2m  
1387 C5H6O 3-Methylfuran furan3m  
1388 C5H6O Pentadienal pdal  
1389 C5H6S Thiophene, 2-methyl- c554143  
1390 C5H6S Thiophene, 3-methyl- c616444  
1391 C4H6O2 γ–Butyrolactone c96480  
1392 C4H6O2 2,3-Butanedione c431038  
1393 C4H6O2 2-Propenoic acid, methyl ester c96333  
1394 C4H6O2 Crotonic Acid crot  
1395 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1396 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1397 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1398 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1399 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1400 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1401 C4H6OS Vinyl sulfoxide c1115157  
1402 CH6N4S Carbonothioic dihydrazide thiacarb  
1403 C2H6N2O2 (E)-Azodioxymethane c37765154  
1404 C2H6N2O2 Dimethylnitroamine c4164287  
1405 C3H6O3 1,3,5-Trioxane trioxane  
1406 C3H6S3 1,3,5-Trithiane c3h6s3  
1407 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1408 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1409 C4H7NO 2-Pyrrolidinone c616455  
1410 C4H7NO Ethoxyacetonitrile etoaccn  
1411 C4H7NO Methacrylamide c79390  
1412 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1413 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1414 C3H7ONO Propyl nitrite prono  
1415 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1416 CH3CH(NH2)COOH Alanine alanine  
1417 CH3NHCH2COOH Sarcosine sarcosine  
1418 NH2CH2CH2COOH β–alanine betaalanine  
1419 NH2COOC2H5 Urethane urethane  
1420 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1421 C5H8O Cyclopentanone c120923  
1422 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1423 C5H8O Methyl cyclopropyl ketone c765435  
1424 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1425 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1426 NH2CONHC2H5 Urea, ethyl- c625525  
1427 C4H8O2 1,3-Dioxane dioxan13  
1428 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1429 C4H8O2 1,4-Dioxane dioxan14  
1430 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1431 C4H8O2 Ethyl acetate c141786  
1432 C4H8OS s-Ethyl thioacetate c625605  
1433 C3H8O3 1,2,3-Propanetriol glycerin  
1434 C3H8O2S (Methylsulfonyl)ethane c594434  
1435 C4H9NO Butanamide c541355  
1436 C4H9NO Propanamide, 2-methyl- c563837  
1437 C5H10O 2-Butanone, 3-methyl- c563804  
1438 C5H10O 2H-Pyran, tetrahydro- c142687  
1439 C5H10O 2-methylbutyraldehyde 2meba  
1440 C5H10O 2-Pentanone mpk  
1441 C5H10O 3-Pentanone dek  
1442 C5H10O Cyclopentanol c96413  
1443 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1444 C5H10O Pentanal pal  
1445 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1446 C5H10S 3-Ethylthio-1-propene c5296628  
1447 C5H10S Cyclopentanethiol c1679078  
1448 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1449 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1450 C4H10O2 1,1-Dimethoxyethane c534156  
1451 C4H10O2 1,3-Butanediol budiol13  
1452 C4H10O2 1,4-Butanediol budiol14  
1453 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1454 C4H10OS Diethyl sulfoxide c70291  
1455 C4H10S2 1,4-Butanedithiol budisl14  
1456 C4H11NO Diethylhydroxylamine c3710847  
1457 C5H12O 1-Butanol, 2-methyl- c137326  
1458 C5H12O 1-Butanol, 3-methyl- c123513  
1459 C5H12O 1-Pentanol pentanol1  
1460 C5H12O 2-Butanol, 3-methyl- c598754  
1461 C5H12O 2-Pentanol peol2  
1462 C5H12O 3-Pentanol pentan3ol  
1463 C5H12O Butane, 1-methoxy- meobu  
1464 C5H12O Propane, 1-ethoxy- proet  
1465 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1466 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1467 C5H12S 1-Butanethiol, 3-methyl- c541311  
1468 C5H12S 1-Pentanethiol c110667  
1469 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1470 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1471 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1472 C5H12S Butane, 1-(methylthio)- c628295  
1473 C5H12S Ethyl propyl sulfide c4110503  
1474 C5H12S Propane, 2-(ethylthio)- c5145993  
1475 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1476 C4F2 difluorobutadiyne c4f2  
1477 ClCOClCO Oxalyl chloride oxcl  
1478 CF3CN Acetonitrile, trifluoro- cf3cn  
1479 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1480 B2F4 Diboron tetrafluoride b2f4  
1481 B2Cl4 Diboron tetrachloride b2cl4  
1482 C2F4 Tetrafluoroethylene c2f4  
1483 C2F4+ Tetrafluoroethylene cation c2f4+  
1484 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1485 CF2CCl2 difluorodichloroethylene cf2ccl2  
1486 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1487 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1488 C2FCl3 fluorotrichloroethene c2fcl3  
1489 C2Cl4 Tetrachloroethylene c2cl4  
1490 C2Br4 tetrabromoethene c2br4  
1491 CF3OF Trifluoromethylhypofluorite cf3of  
1492 SiF5- silicon pentafluoride anion sif5-  
1493 SOF4 Sulfur tetrafluoride oxide sof4  
1494 PF5 Phosphorus pentafluoride pf5  
1495 AsF5 Arsenic pentafluoride asf5  
1496 PCl5 Phosphorus pentachloride pcl5  
1497 SF5+ pentafluoro sulfur cation sf5+  
1498 SbCl5 Antimony pentachloride sbcl5  
1499 BrF5 bromine pentafluoride brf5  
1500 ClF5 chlorinepentafluoride clf5  
1501 IF5 pentafluoroiodine if5  
1502 CF3CHO trifluoroacetaldehyde cf3cho  
1503 CCl3CHO trichloroacetaldehyde ccl3cho  
1504 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1505 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1506 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1507 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1508 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1509 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1510 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1511 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1512 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1513 CF3COOH trifluoroacetic acid cf3cooh  
1514 C4H3ClO Furan, 2-chloro fur2cl  
1515 C4H3ClO Furan,3-chloro fur3cl  
1516 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1517 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1518 C4H8Cl2 1,4-Dichlorobutane c110565  
1519 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1520 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1521 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1522 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1523 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1524 C5H11Cl Pentane, 1-chloro- pencl1  
1525 C4H8O2 Butanoic acid bua  
1526 C6H5CH2 benzyl radical benzyl  
1527 C7H7+ cycloheptatrienyl cation c7h7+  
1528 C6H5CH3 toluene toluene  
1529 C7H8 cycloheptatriene cht  
1530 C7H8 Norbornadiene norbor  
1531 C7H8 Quadricyclane qucy  
1532 C7H12 Norbornane nor  
1533 C7H14 cycloheptane c7h14  
1534 C7H16 2-methylhexane 2mhex  
1535 C7H16 3-methylhexane hex3m  
1536 C7H16 heptane heptane  
1537 CH(CN)3 tricyanomethane mecn3  
1538 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1539 C6H7N 2-Methylpyridine mp  
1540 C6H5NH2 aniline aniline  
1541 C6H13N 2-Methylpiperidine pip2m  
1542 C6H13N cyclohexanamine cham  
1543 C6H15N triethylamine tea  
1544 N2O5 Dinitrogen pentoxide n2o5  
1545 C4H2O3 Maleic Anhydride malan  
1546 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1547 C5H4O2 furfural furfural  
1548 C5H5NO 2(1H)-Pyridinone c72762006  
1549 C5H5NO 2(3H)-Pyridinone c9000048  
1550 C5H5NO 2(5H)-Pyridinone c9000037  
1551 C5H5NO 2-Pyridinol c109104  
1552 C5H5NO 3(2H)-Pyridinone c9000004  
1553 C5H5NO 3(4H)-Pyridinone c9000026  
1554 C5H5NO 3(6H)-Pyridinone c9000015  
1555 C5H5NO 3-Pyridinol c109002  
1556 C5H5NO 4(1H)-Pryidinone c9000060  
1557 C5H5NO 4(3H)-Pryidinone c9000059  
1558 C5H5NO 4-Pyridinol c626642  
1559 C6H5OH phenol phenol  
1560 C6H6O 2,4-Cyclohexadienone c24599573  
1561 C6H6O 2,5-Cyclohexadienone c5664335  
1562 C6H5SH Benzenethiol phsh  
1563 HO2CCHNH2CH2OH Serine serine  
1564 C5H8O2 Acetylacetone acac  
1565 C4H8O2S Sulfolane sulfolane  
1566 C7H10 Norbornene norbornene  
1567 CH(C2H3)3 trivinyl methane tvm  
1568 C6H10O cyclohexanone chexo  
1569 C6H12O hexanal c6h12o  
1570 C6H12O Oxepane oxepane  
1571 C3H7OC3H7 di-n-propyl ether propr  
1572 F2CCCF2 tetrafluoroallene pfa  
1573 CF3COO- trifluoro acetate anion cf3coo-  
1574 CF3COF trifluoroacetyl fluoride cf3cof  
1575 CF3COCl trifluoroacetyl chloride cf3cocl  
1576 PF6- Hexafluorophosphate ion pf6-  
1577 SF6 Sulfur Hexafluoride sf6  
1578 SeF6 Selenium hexafluoride sef6  
1579 SF5Cl sulfur chloropentafluoride sf5cl  
1580 CF3CHF2 pentafluoroethane cf3chf2  
1581 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1582 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1583 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1584 CCl3CHCl2 pentachloroethane ccl3chcl2  
1585 C6H5F Fluorobenzene bzf  
1586 C6H5Cl chlorobenzene bzcl  
1587 C6H5Br bromobenzene bzbr  
1588 C8H6 Calicene calicene  
1589 C6H5CCH phenylacetylene phac  
1590 C8H6 benzocyclobutadiene bcbd  
1591 C8H6 Pentalene pentalene  
1592 C6H5CHCH2 Styrene styrene  
1593 C8H8 cubane cubane  
1594 C8H8 cyclooctatetraene cot  
1595 C6H5CH2CH3 Ethylbenzene etbz  
1596 CH3C6H4CH3 meta-xylene mxylene  
1597 CH3C6H4CH3 paraxylene pxylene  
1598 C8H14 Bicyclo[2.2.2]octane bico222  
1599 C8H16 cyclooctane cyclooct  
1600 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1601 C8H18 Octane c8h18  
1602 C6H5CN phenyl cyanide phcn  
1603 C6H12N2 Triethylenediamine ted  
1604 C4O4-- squarate dianion c4o4--  
1605 S4N4 Tetrasulfur tetranitride s4n4  
1606 S8 Octasulfur s8  
1607 C6H4O2 parabenzoquinone pbq  
1608 C4H4N2O2 Uracil uracil  
1609 C6H5OCH3 Anisole anisole  
1610 C5H9NO2 Proline proline  
1611 C6H12O2 Methyl pivalate c598981  
1612 C6H12O2 Hexanoic acid hexa  
1613 C4F4 tetrafluorcyclobutadiene c4f4  
1614 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1615 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1616 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1617 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1618 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1619 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1620 C2F6 hexafluoroethane c2f6  
1621 C2Cl6 hexachloroethane c2cl6  
1622 IF7 Iodine heptafluoride if7  
1623 C6H4F2 metadifluorobenzene mdfb  
1624 C6H4F2 orthodifluorobenzene odfb  
1625 C6H4F2 1,4-difluorobenzene pdfb  
1626 C6H4Cl2 1,2-dichlorobenzene dcb12  
1627 C6H4Cl2 1,3-dichlorobenzene dcb13  
1628 C6H4Cl2 1,4-dichlorobenzene dcb14  
1629 C6H5NO nitrosobenzene bzno  
1630 C9H8 Indene indene  
1631 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1632 C9H12 n-propyl benzene prbz  
1633 C9H20 Nonane nonane  
1634 C(CN)4 tetracyanomethane c5n4  
1635 C5H4N4 purine purine  
1636 C8H7N Indole indole  
1637 C3H3N3O3 cyanuric acid cyanuric  
1638 C6H5NO2 Nitrobenzene c6h5no2  
1639 C6H5COOH benzoic acid benzo  
1640 CH3COC6H5 acetophenone acph  
1641 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1642 C3F6 hexafluoropropene c3f6  
1643 C6H3F3 Benzene trifluoride 123 bzf3a  
1644 C8H18O 1-Octanol octanol  
1645 C10H8 Azulene azu  
1646 C10H8 naphthalene naph  
1647 C10H10 bullvalene bullv  
1648 C10H16 adamantane adamantane  
1649 C6N4 Tetracyanoethylene tcne  
1650 C6N4- tetracyanoethylene anion tcne-  
1651 C10H22 Decane decane  
1652 C4F6 perfluorobutadiene c4f6  
1653 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1654 C3F8 perfluoropropane c3f8  
1655 Fe(CO)5 Iron pentacarbonyl ipc  
1656 Fe(C5H5)2 ferrocene fecp2  
1657 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1658 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1659 C12H8 Acenaphthylene acenaph  
1660 C12H8 biphenylene biph  
1661 C12H10 biphenyl biphenyl  
1662 C12H10 Heptalene heptalene  
1663 C6H12O6 Inositol inositol  
1664 C6F6 hexafluorobenzene c6f6  
1665 S2F10 disulphur decafluoride s2f10  
1666 C13H10 Fluorene fluorene  
1667 C14H10 Anthracene anth  
1668 C14H10 Phenanthrene phenanthrene  
1669 C14H14 Bibenzyl bibenzyl  
1670 C12H10N2 azobenzene azobenzene  
1671 C6H5COC6H5 benzophenone benzophenone  
1672 C16H10 Pyrene pyrene  
1673 C18H12 Tetracene tetracene  
1674 C19H16 Triphenylmethane tpm  
1675 C24H12 Coronene coronene  
1676 C60 Buckminsterfullerene c60