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Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
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III.F.1. (I.A.4.)

List of which calculations are completed at ROHF /TZVP

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 cation 2SKh
7 HeH+ Helium hydride cation 1ΣC∞v
8 He2+ helium diatomic cation 2ΣuD∞h
9 Li Lithium atom 2SKh
10 Na Sodium atom 2SKh
11 K Potassium atom 2SKh
12 LiH+ lithium hydride cation 2ΣC∞v
13 NaH+ sodium hydride cation 2ΣC∞v
14 KH Potassium hydride 1ΣC∞v
15 KH+ Potassium hydrogen cation 2ΣC∞v
16 Be+ Beryllium atom cation 2SKh
17 Mg+ Magnesium atom cation 2SKh
18 BeH beryllium monohydride 2ΣC∞v
19 MgH magnesium monohydride 2ΣC∞v
20 CaH Calcium monohydride 2ΣC∞v
21 TiH Titanium monohydride 4ΦC∞v
22 BeH2+ Beryllium dihydride cation 2ΣC∞v
23 BeH2+ Beryllium dihydride cation 2ΣuD∞h
24 BeH2+ Beryllium dihydride cation   
25 B Boron atom 2PKh
26 B Boron atom 4PKh
27 B+ Boron atom cation 1SKh
28 Al Aluminum atom 2PKh
29 Al- Aluminum atom anion 3PKh
30 Al+ Aluminum atom cation 1SKh
31 Sc Scandium atom 2DKh
32 Sc+ Scandium cation 3DKh
33 Ga Gallium atom 2P 
34 Ga- Gallium atom anion 3POh
35 Ga+ Gallium atom cation 1S 
36 BH Boron monohydride 3ΠC∞v
37 BH- boron monohydride anion 4ΣC∞v
38 ScH+ Scandium monohydride cation 2ΣC∞v
39 GaH+ Gallium monohydride cation 2ΣC∞v
40 BH2- boron dihydride anion 3B1C2v
41 BH3+ boron trihydride cation 2B2C2v
42 BH3+ boron trihydride cation  C2v
43 AlH3- aluminum trihydride anion  C3v
44 BH4 borohydride 2B2C2v
45 BH4- borohydride anion 1A1Td
46 C Carbon atom 3P0Kh
47 C- Carbon atom anion 2DKh
48 C+ Carbon atom cation 2PKh
49 Si Silicon atom 3PKh
50 Si- Silicon atom anion 4SKh
51 Si+ Silicon atom cation 2PKh
52 Ge Germanium atom 3PKh
53 Ge- Germanium anion 4SKh
54 Ge+ Germanium cation 2PKh
55 CH Methylidyne 2Π1/2C∞v
56 SiH Silylidyne 2ΠC∞v
57 SiH- silicon monohydride anion 3ΣC∞v
58 GeH germylidene 2ΠC∞v
59 CH2 Methylene 3B1C2v
60 CH2 Methylene 3ΣGD∞h
61 CH2- methylene anion 2B1C2v
62 CH2+ methylene cation 2A1C2v
63 CH2+ methylene cation 2ΠD∞h
64 SiH2 silicon dihydride 3B1C2v
65 GeH2- germylene anion 2B1C2v
66 CH3 Methyl radical 2A1D3h
67 CH3- methyl anion 1A1C3v
68 CH3+ methyl cation 1A1'D3h
69 SiH3 Silyl radical 2A1C3v
70 SiH3+ Silyl cation 1A1'D3h
71 GeH3 Germyl radical 2A1C3v
72 GeH3+ germyl cation 1A1'D3h
73 N Nitrogen atom 4SKh
74 N Nitrogen atom 2DKh
75 N+ Nitrogen atom cation 3PKh
76 P Phosphorus atom 4SKh
77 V Vanadium atom 4FKh
78 V+ Vanadium atom cation 5DKh
79 As Arsenic atomic 4SKh
80 As- Arsenic anion 3PKh
81 As+ Arsenic cation 3PKh
82 PH phosphorus monohydride 3Σ-C∞v
83 AsH Arsenic monohydride 3ΣC∞v
84 AsH+ Arsenic monohydride cation 2ΠC∞v
85 NH2 Amino radical 2B1C2v
86 NH2+ Amino cation 3B1C2v
87 NH3- Ammonia anion 2A1C3v
88 NH3+ ammonia cation 2A2"D3h
89 PH3+ Phosphine cation 2A1C3v
90 AsH3+ Arsine cation 2A1C3v
91 NH4 Ammonium radical   
92 PH4 Phosphoranyl radical   
93 O Oxygen atom 3SKh
94 O+ Oxygen atom cation 4SKh
95 S Sulfur atom 3PKh
96 S- Sulfur atom anion 2PKh
97 S+ Sulfur atom cation 4SKh
98 Se Selenium atom 3PKh
99 Se- Selenium atom anion 2PKh
100 Se+ Selenium atom cation 4SKh
101 OH Hydroxyl radical 2ΠC∞v
102 OH+ hydoxyl cation 3ΣC∞v
103 HS Mercapto radical 2ΠC∞v
104 HS- mercapto anion 1ΣC∞v
105 HS+ sulfur monohydride cation 3ΣC∞v
106 CrH Chromium hydride 6ΣC∞v
107 CrH+ Chromium hydride cation 5ΣC∞v
108 HSe Selenium monohydride 2ΠC∞v
109 HSe+ selenium monohydride cation 3ΣC∞v
110 H2O- water anion 2A1C2v
111 H2O- water anion 2A'Cs
112 H2O+ water cation 2B1C2v
113 H2S- Hydrogen sulfide anion 2A'Cs
114 H2S+ Hydrogen sulfide cation 2B1C2v
115 H2Se Hydrogen selenide 1A1C2v
116 H2Se+ Hydrogen selenide cation 2B1C2v
117 H3S+ Sulfonium cation 1A1C3v
118 F Fluorine atom 2PKh
119 F- Fluorine atom anion 1SKh
120 F+ Fluorine atom cation 3SKh
121 F+ Fluorine atom cation 1DKh
122 Cl Chlorine atom 2PKh
123 Cl+ Chlorine atom cation 3PKh
124 Cl+ Chlorine atom cation 1DKh
125 Br Bromine atom 2PKh
126 Br- Bromine atom anion 1SKh
127 Br+ Bromine atom cation 3PKh
128 HF- hydrogen fluoride anion 2ΣC∞v
129 HF+ hydrogen fluoride cation 2ΠC∞v
130 HCl- hydrogen chloride anion 2ΣC∞v
131 HCl+ hydrogen chloride cation 2ΠC∞v
132 HBr hydrogen bromide 1ΣC∞v
133 HBr- hydrogen bromide anion 2ΣC∞v
134 HBr+ hydrogen bromide cation 2ΠC∞v
135 H2Cl+ dihydrogen monochloride cation 1A1C2v
136 Ne Neon atom   
137 Ne+ Neon atom cation 2PKh
138 Kr+ Krypton cation 2PKh
139 NeH neon hydrogen 2ΣC∞v
140 Na2- sodium diatomic anion 2ΣuD∞h
141 Na2+ sodium diatomic cation 2ΣgD∞h
142 NaK+ Sodium Potassium diatomic cation 1
143 LiBe Lithium Beryllium 2ΣC∞v
144 LiMg Lithium magnesium 2ΣC∞v
145 NaBe Sodium Beryllium 2ΣC∞v
146 NaMg Sodium Magnesium 2ΣC∞v
147 Be2 Beryllium diatomic 3ΠgD∞h
148 LiB Lithium boride 3ΠC∞v
149 BeB Beryllium monoboride 2ΠC∞v
150 B2 Boron diatomic 3ΣgD∞h
151 B2+ Boron diatomic cation 2ΠD∞h
152 BAl Boron Aluminum 3ΣC∞v
153 BGa Boron Gallium 3ΣC∞v
154 AlGa Aluminum Gallium 3ΣC∞v
155 Ga2 Gallium diatomic 3Piu 
156 HBBH Diborane(2) 3ΣGD∞h
157 B2H6+ Diborane cation   
158 LiC Lithium Carbide 4ΣC∞v
159 BeC Beryllium Carbide 3Σ-C∞v
160 BeC Beryllium Carbide   
161 CaC Calcium monocarbide   
162 BC boron monocarbide 4Σ-C∞v
163 AlC Aluminum carbide 4ΣC∞v
164 BSi Boron silicide 4ΣC∞v
165 BSi Boron silicide 2ΣC∞v
166 C2 Carbon diatomic 3Σg- 
167 C2+ carbon diatomic cation 4ΣgD∞h
168 SiC silicon monocarbide 3ΣC∞v
169 GeC Germanium monocarbide 1ΣC∞v
170 SiGe Silicon Germanium   
171 Ge2 Germanium diatomic 3ΣgD∞h
172 Ge2 Germanium diatomic 1ΣGD∞h
173 C2H Ethynyl radical 2ΣC∞v
174 C2H2+ acetylene cation 2ΠuD∞h
175 C2H2+ acetylene cation   
176 CCH2 vinylidene 3B2C2v
177 H2CC- vinylidene anion   
178 HCCH- acetylene anion   
179 HCCH- acetylene anion   
180 CH3Li methyl lithium 1A1C3v
181 C2H3 vinyl 2A'Cs
182 C2H4- Ethylene anion 2AgC2h
183 C2H4+ Ethylene cation 2B3D2
184 C2H5 Ethyl radical 2A'Cs
185 C2H6+ ethane cation 2BgC2h
186 C2H6+ ethane cation 2AgCi
187 LiN Lithium Nitride 3ΣC∞v
188 LiP Lithium monophosphide   
189 BeN Beryllium mononitride 4ΣC∞v
190 BeN Beryllium mononitride 2ΠC∞v
191 BeN+ Beryllium mononitride cation 1ΣC∞v
192 MgN Magnesium Nitride   
193 MgN Magnesium Nitride   
194 BP Boron monophosphide 3ΠC∞v
195 AlP Aluminum monophosphide 3ΣC∞v
196 AlP Aluminum monophosphide 3ΠC∞v
197 GaN Gallium mononitride 3ΠC∞v
198 GaP Gallium monophosphide 3ΣC∞v
199 GaAs Gallium arsenide 3Π 
200 GaAs Gallium arsenide 1Σ 
201 BN boron nitride 3ΠC∞v
202 CN Cyano radical 2ΣC∞v
203 SiP Silicon monophosphide 2ΠC∞v
204 N2 Nitrogen diatomic   
205 N2- nitrogen diatomic anion 2ΠgD∞h
206 N2+ diatomic nitrogen cation 2ΣgD∞h
207 HCN+ hydrogen cyanide cation 2ΠC∞v
208 HNC+ hydrogen isocyanide cation   
209 HCP+ Phosphaethyne cation   
210 CNH2 Aminomethylidyne radical 2B2C2v
211 H2CN Dihydrogen cyanide radical 2B2C2v
212 HCNH methyleneazane 2A'CS cis
213 HCNH methyleneazane 2A'CS trans
214 N2H2+ trans-diazene cation 2AGC2h
215 CH2NH+ Methanimine cation   
216 CHNH2+ Aminocarbene cation   
217 N2H4+ hydrazine cation 2AGC2h
218 CH3NH2+ methyl amine cation 2A'Cs
219 CH3NH3 methyl ammonium radical 2A1C3v
220 LiO lithium oxide 2ΣC∞v
221 LiS Lithium monosulfide 2ΠC∞v
222 LiS+ Lithium sulfide cation 3ΣC∞v
223 NaO sodium monoxide 2ΣC∞v
224 KO Potassium monoxide 2ΣC∞v
225 KO+ Potassium monoxide cation 3ΣC∞v
226 NaS Sodium sulfide 2ΠC∞v
227 LiSe Lithium monoselenide   
228 BeO+ Beryllium monoxide cation 2ΠC∞v
229 BO boron monoxide 2ΣC∞v
230 ScO Scandium monoxide 2ΣC∞v
231 GaO Gallium monoxide 2ΣC∞v
232 GaS Gallium monosulfide   
233 CO Carbon monoxide 3ΠC∞v
234 CO- carbon monoxide anion 2ΠC∞v
235 CO+ carbon monoxide cation 2ΣC∞v
236 TiO Titanium monoxide 3ΔC∞v
237 GeO+ Germanium monoxide cation 2ΣC∞v
238 SiSe+ Silicon Monoselenide cation   
239 NO Nitric oxide 2ΠC∞v
240 NO- nitric oxide anion 3ΣC∞v
241 NS Mononitrogen monosulfide 2ΠC∞v
242 NS- nitrogen sulfide anion 3ΣC∞v
243 PO Phosphorus monoxide 2ΠC∞v
244 PS phosphorus sulfide 2ΣC∞v
245 VO Vanadium monoxide 4Σ- 
246 NSe Nitrogen monoselenide 2ΠC∞v
247 AsS Arsenic monosulfide 2ΠC∞v
248 PSe Phosphorus monoselenide 2ΠC∞v
249 AsSe Arsenic monoselenide 2ΠC∞v
250 O2- oxygen diatomic anion 2ΠD∞h
251 O2+ diatomic oxygen cation 2ΠgD∞h
252 SO Sulfur monoxide 3ΣC∞v
253 SO Sulfur monoxide 1ΣC∞v
254 SO+ sulfur monoxide cation 2ΠC∞v
255 S2 Sulfur diatomic 3ΣgD∞h
256 SeO Selenium monoxide 3ΣC∞v
257 Se2 Selenium diatomic 3ΣgD∞h
258 BeOH beryllium monohydroxide 2A'Cs
259 COH Hydroxymethylidyne   
260 HCO Formyl radical 2A'Cs
261 HCO- formyl anion 1A'Cs
262 HCO+ Formyl cation 1ΣC∞v
263 HNO Nitrosyl hydride 1A'Cs
264 HNO+ Nitrosyl hydride cation 2A'Cs
265 NOH Hydroxyimidogen 3A"Cs
266 NOH+ O-protonated nitric oxide 2A'Cs
267 HO2 Hydroperoxy radical 2A"Cs
268 HO2+ Hydroperoxy cation 3A"Cs
269 SOH Sulfur Hydroxide   
270 SOH+ Sulfur Monoxide, protonated   
271 HS2 Thiosulfeno radical 2A"Cs
272 H2CO- formaldehyde anion 2A'Cs
273 H2CO- formaldehyde anion   
274 H2CO+ formaldehyde cation 2B2C2v
275 H2CS- thioformaldehyde anion   
276 H2CS- thioformaldehyde anion   
277 H2CS+ thioformaldehyde cation 2B2C2v
278 H2NO nitroxide 2B1C2v
279 H2NO nitroxide 2A'Cs
280 H2O2+ Hydrogen peroxide cation 2A1C2v
281 H2S2+ hydrogen disulfide cation 2BgC2h
282 CH2OH Hydroxymethyl radical 2AC1
283 CH3O+ Methoxy cation 3A1C3v
284 NH2OH+ Hydroxylamine cation   
285 CH3OH- Methyl alcohol anion 2A'Cs
286 CH3OH- Methyl alcohol anion 2A'CS eclipsed
287 CH3OH+ Methyl alcohol cation 2A"Cs
288 CH3OH+ Methyl alcohol cation 2AC1
289 CH3SH+ Methanethiol cation 2A"Cs
290 NH2OH2+ protonated hydroxylamine   
291 NH3OH+ N-protonated hydroxylamine   
292 NaF+ sodium fluoride cation 2ΣC∞v
293 LiF+ lithium fluoride cation 2ΠC∞v
294 TiCl Titanium Monochloride 4ΣC∞v
295 ZnF Zinc monofluoride 2ΣC∞v
296 CaBr Calcium monobromide   
297 GaF Gallium monofluoride 1ΣC∞v
298 GaF+ Gallium monofluoride cation 2ΣC∞v
299 GaCl Gallium monochloride 1ΣGC∞v
300 GaCl+ Gallium monochloride cation 2ΣC∞v
301 CF Fluoromethylidyne 2ΠC∞v
302 SiF silicon monofluoride 2ΠC∞v
303 SiF- silicon monofluoride anion 3ΣC∞v
304 SiCl Clorosilylidyne 2ΠC∞v
305 CBr Carbon monobromide 2ΠC∞v
306 GeF Germanium monofluoride 2ΠC∞v
307 GeCl Germanium monochloride 2ΠC∞v
308 SiBr Silicon monobromide 2ΠC∞v
309 SiBr+ Silicon monobromide cation   
310 NCl nitrogen monochloride 3ΣC∞v
311 AsF Arsenic monofluoride 3ΣC∞v
312 NBr nitrogen monobromide 3Σ-C∞v
313 AsCl Arsenic monochloride 3ΣC∞v
314 PBr Phosphorus monobromide   
315 FO Oxygen monofluoride 2ΠC∞v
316 ClO Monochlorine monoxide 2ΠC∞v
317 ClO+ chlorine monoxide cation 3ΣC∞v
318 SF Monosulfur monofluoride 2ΠC∞v
319 SF+ sulfur monofluoride cation 3ΣC∞v
320 SCl sulfur monochloride 2ΠC∞v
321 SCl+ sulfur monochloride cation 3ΣgC∞v
322 BrO Bromine monoxide 2ΠC∞v
323 BrO+ Bromine monoxide cation   
324 SeF Selenium monofluoride 2ΠC∞v
325 SBr Sulfur monobromide radical   
326 SBr+ Sulfur monobromide cation   
327 SeCl Selenium monochloride 2ΠC∞v
328 SeBr Selenium monobromide   
329 F2- flourine diatomic anion 2ΣuD∞h
330 F2+ flourine diatomic cation 2ΠgD∞h
331 ClF Chlorine monofluoride 1Σ+C∞v
332 ClF+ clorine monofluoride cation 2ΠC∞v
333 Cl2- chlorine diatomic anion 2ΣuD∞h
334 Cl2+ chlorine diatomic cation 2ΠgD∞h
335 Br2- bromine diatomic anion 2ΣuD∞h
336 Br2+ bromine diatomic cation 2ΠgD∞h
337 HCF Fluoromethylene 3A"Cs
338 HCCl Chloromethylene 3A"Cs
339 CHBr bromomethylene 3A"Cs
340 HOCl+ hypochlorous acid cation   
341 HOBr+ Hypobromous acid cation 2A"Cs
342 FHF- Hydrogen difluoride anion 1ΣgD∞h
343 CH2Br bromomethyl radical 2A'Cs
344 CH2Br bromomethyl radical   
345 CH2F fluoromethyl radical 2ACs
346 CH2Cl chloromethyl radical 2A'Cs
347 CH2Cl chloromethyl radical 2B1C2v
348 CH3F+ methyl fluoride cation   
349 CH3Cl+ Methyl chloride cation   
350 CH3Br methyl bromide 1A1C3v
351 Ne2+ Neon diatomic cation 2ΣuD∞h
352 Ar2+ Argon diatomic cation 2ΣuD∞h
353 Li3 Lithium trimer 2B2C2v
354 C3 carbon trimer 1A1C2v
355 C3H3 cyclopropenyl radical 2A'Cs
356 C3H5 Allyl radical 2A2C2v
357 C3H5 Allyl radical 2A"Cs
358 CH3CHCH 1-propenyl radical 2A'Cs
359 C3H7 n-Propyl radical 2A"C1
360 CH3CHCH3 Isopropyl radical 2AC2
361 LiCN lithium cyanide 1ΣC*V LiCN
362 ZnCN Zinc monocyanide 2ΣC∞v
363 ZnNC Zinc isocyanide 2ΣC∞v
364 CNN Diazocarbene   
365 NCN Cyanoimidogen 3ΣgD∞h
366 N3 azide radical 2ΠgD∞h
367 N3+ azide cation 3ΣgD∞h
368 N3+ azide cation 3ΣC∞v
369 HCCN cyanomethylene 3A"Cs
370 HCCN cyanomethylene 3ΣC∞v
371 HCCN cyanomethylene   
372 HN3 hydrogen azide 1A'Cs
373 HN3+ Hydrazoic acid cation   
374 CH3CN- acetonitrile anion 2EC3v
375 CH3CN- acetonitrile anion 2A'Cs
376 HCNCH2+ 2H-Azirine cation   
377 CH2CHNH vinylazine 2A"CS cis
378 CH2CHNH vinylazine 2A"CS trans
379 CH3CHN methylmethaniminyl radical 2A'Cs
380 Li2O+ dilithium oxide cation 2ΠD∞h
381 LiO2 Lithium dioxide   
382 NaO2 Sodium superoxide   
383 CCO Dicarbon monoxide 3ΣC∞v
384 NCO isocyanato radical 2ΠC∞v
385 N2O- Nitrous oxide anion 2A'Cs
386 CO2+ Carbon dioxide cation 2ΠC∞v
387 CS2- Carbon disulfide anion 2A1C2v
388 NO2 Nitrogen dioxide 2A1C2v
389 NO2+ Nitrogen dioxide cation 1ΣGD∞h
390 NSO sulfinyl amidogen   
391 SNO Nitrogen oxide sulfide   
392 AsO2 Aresenic dioxide 2A1C2v
393 SO2 Sulfur dioxide 1A1C2v
394 S3- Sulfur trimer anion 2B1C2v
395 S3+ Sulfur trimer cation 2B2C2v
396 SeO2+ Selenium dioxide cation 2A1C2v
397 HCCO ketenyl radical 2ΠC∞v
398 HCCO ketenyl radical 2A"Cs
399 HCOO formate neutral radical 2A'Cs
400 HOCO Hydrocarboxyl radical 1A'cis
401 HOCO Hydrocarboxyl radical 1A'trans
402 C2H4O+ ethylene oxide cation   
403 CH3CHO+ acetaldehyde cation   
404 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
405 CH2CH2OH 2-hydroxy ethyl radical 2A'Cs
406 CH2CH2OH 2-hydroxy ethyl radical 2AC1
407 CH3CHOH 1-hydroxy-ethyl radical 2AC1
408 CH3CH2SH ethanethiol 1A'Cs
409 CH3SCH3+ dimethyl sulfide cation   
410 CuF2 Copper difluoride 2ΠgD∞h
411 FCO Carbonyl fluoride 2A'Cs
412 ClCO carbonyl monochloride 2ΣC∞v
413 BF2 Boron difluoride radical 2A1C2v
414 SiF2 Silicon difluoride 3B1C2v
415 SiF2+ Silicon difluoride cation 2A1C2v
416 CBr2 dibromomethylene 3B1C2v
417 FOO+ Fluorine dioxide cation   
418 OClO Chlorine dioxide 2B1D∞h
419 OClO- Chlorine dioxide anion 1A'Cs
420 ClSO Sulfur chloride oxide 2A"Cs
421 BrOO Bromine dioxide   
422 OBrO Bromine dioxide radical 2B1C2v
423 PF2 Phosphorus difluoride   
424 SF2- sulfur difluoride anion 2A'Cs
425 SF2- sulfur difluoride anion 2ΠD∞h
426 HFCO+ formyl fluoride cation 2A'Cs
427 CHCl2 dichloromethyl radical 2B1C2v
428 CHCl2 dichloromethyl radical 2A'Cs
429 CHF2 difluoromethyl radical 2ACs
430 CHFCl Chlorofluoromethyl radical   
431 CHBr2 dibromomethyl radical   
432 CH2CHF Ethene, fluoro- 1A'Cs
433 CH2CH2Cl 2-chloroethyl radical 2A'Cs
434 CHClCH3 1-chloroethyl radical 2AC1
435 C4 Carbon tetramer 3ΣgD∞h
436 C4H2+ diacetlyene cation 2ΠgD∞h
437 CH3CHCHCH2 methylallyl radical 2A"Cs
438 HCCCN+ Cyanoacetylene cation 2ΠC∞v
439 C3H3N+ acrylonitrile cation 2A"Cs
440 C2H2O2 Ethanedial 1AgC2h
441 CH3COCH2 Acetonyl radical 2A"Cs
442 CH3COCH3- acetone anion 2A'Cs
443 CF2O+ Carbonic difluoride cation   
444 BF3+ boron trifluoride cation 2B2C2v
445 BF3+ boron trifluoride cation   
446 BCl3+ Boron Trichloride cation   
447 CF3- Trifluoromethyl anion 1A1C3v
448 CF3+ Trifluoromethyl cation 1A1'D3h
449 CF2Cl difluorochloromethyl radical   
450 SiF3 Silicon trifluoride radical 2A1C3v
451 SiF3+ Silicon trifluoride cation 1A1'D3h
452 CFCl2 dichlorofluoromethyl radical   
453 CBr3 tribromomethyl radical   
454 NF3 Nitrogen trifluoride 1A1C3v
455 SF3 Sulfur trifluoride 2A'Cs
456 CHBrCl2 Methane, bromodichloro- 1A'Cs
457 C5H5 cyclopentadienyl radical 2B1C2v
458 C3H3N2 imidazolyl radical 2B1C2v
459 C4H4N pyrrolide radical 2A2C2v
460 CBr4 Carbon tetrabromide 1A1Td
461 SF5 Sulfur pentafluoride 2A1C4v
462 C7H7 cycloheptatrienyl radical 2A2C2v
463 PF6 Hexafluorophosphate neutral 2B2C2v

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 He- Helium atom anion he-  
11 HeH Helium hydride heh  
12 Li- Lithium atom anion li-  
13 Li+ Lithium atom cation li+  
14 Na- Sodium atom anion na-  
15 Na+ Sodium atom cation na+  
16 K- Potassium atom anion k-  
17 K+ Potassium atom cation k+  
18 Cu Copper atom cu  
19 Cu- Copper atom anion cu-  
20 Cu+ Copper atom cation cu+  
21 LiH Lithium Hydride lih  
22 LiH- lithium hydride anion lih-  
23 NaH sodium hydride nah  
24 NaH- sodium hydride anion nah-  
25 CuH Copper monohydride cuh  
26 Be Beryllium atom be  
27 Be- Beryllium atom anion be-  
28 Mg Magnesium atom mg  
29 Mg- Magnesium atom anion mg-  
30 Ca Calcium atom ca  
31 Ca- Calcium atom anion ca-  
32 Ca+ Calcium atom cation ca+  
33 Zn Zinc atom zn  
34 Zn- Zinc atom anion zn-  
35 Zn+ Zinc atom cation zn+  
36 BeH- berylium monohydride anion beh-  
37 BeH+ beryllium monohydride cation beh+  
38 MgH- magnesium monohydride anion mgh-  
39 MgH+ magnesium monohydride cation mgh+  
40 CaH+ Calcium monohydride cation cah+  
41 ZnH Zinc monohydride znh  
42 ZnH+ Zinc, protonated znh+  
43 BeH2 beryllium dihydride beh2  
44 MgH2 magnesium dihydride mgh2  
45 CaH2 Calcium Hydride cah2  
46 ZnH2 Zinc hydride znh2  
47 B- Boron atom anion b-  
48 BH Boron monohydride bh  
49 BH- boron monohydride anion bh-  
50 BH+ boron monohydride cation bh+  
51 AlH aluminum monohydride alh  
52 AlH- aluminum monohydride anion alh-  
53 AlH+ aluminum monohydride cation alh+  
54 ScH Scandium monohydride sch  
55 GaH Gallium monohydride gah  
56 BH2 boron dihydride bh2  
57 BH2+ Boron dihydride cation bh2+  
58 AlH2 aluminum dihydride alh2  
59 AlH2- aluminum dihydride anion alh2-  
60 AlH2+ aluminum dihydride cation alh2+  
61 BH3 boron trihydride bh3  
62 BH3- boron trihydride anion bh3-  
63 AlH3 aluminum trihydride alh3  
64 AlH3+ aluminum trihydride cation alh3+  
65 ScH3 Scandium trihydride sch3  
66 GaH3 Gallium trihydride gah3  
67 AlH4- Aluminum tetrahydride anion alh4-  
68 C- Carbon atom anion c-  
69 Ti Titanium atom ti  
70 Ti- Titanium atom anion ti-  
71 Ti+ Titanium atom cation ti+  
72 Sn Tin atom sn  
73 Sn+ Tin cation sn+  
74 CH- methylidyne anion ch-  
75 CH+ Methylidyne cation ch+  
76 SiH+ silicon monohydride cation sih+  
77 GeH+ Germaniun monohyrdide cation geh+  
78 SiH2 silicon dihydride sih2  
79 SiH2- silicon dihydride anion sih2-  
80 SiH2+ silicon dihydride cation sih2+  
81 GeH2 germylene geh2  
82 SiH3- Silyl anion sih3-  
83 CD4 methane-d4 cd4  
84 CH2D2 methane-d2 ch2d2  
85 CH3D methane-d ch3d  
86 CH4 Methane ch4  
87 CH4- Methane anion ch4-  
88 CH4+ Methane cation ch4+  
89 CHD3 methane-d3 chd3  
90 SiH2D2 silane-d2 sih2d2  
91 SiH4 Silane sih4  
92 SiH4+ Silane cation sih4+  
93 GeH4 Germane geh4  
94 SnH4 Stannane snh4  
95 SiH5+ Silane, protonated sih5+  
96 N- Nitrogen atom anion n-  
97 P- Phosphorus atom anion p-  
98 P+ Phosphorus atom cation p+  
99 Sb Antimony atom sb  
100 NH Imidogen nh  
101 NH- Imidogen anion nh-  
102 NH+ imidogen cation nh+  
103 PH- phosphorus monohydride anion ph-  
104 PH+ phosphorus monohydride cation ph+  
105 SbH Antimony monohydride sbh  
106 ND2 Amidogen-d2 nd2  
107 NH2- amino anion nh2-  
108 PH2 Phosphino radical ph2  
109 PH2- Phosphino anion ph2-  
110 PH2+ Phosphino cation ph2+  
111 AsH2 Arsenic dihydride ash2  
112 AsH2+ Arsenic dihydride cation ash2+  
113 ND3 Ammonia-d3 nd3  
114 NH3 Ammonia nh3  
115 PH3 Phosphine ph3  
116 AsH3 Arsine ash3  
117 SbH3 Stibine sbh3  
118 AsH4+ Arsonium ash4+  
119 NH4+ ammonium cation nh4+  
120 PH4+ phosphonium cation ph4+  
121 O- Oxygen atom anion o-  
122 Cr Chromium atom cr  
123 Te Tellurium atom te  
124 Te+ Tellurium atom cation te+  
125 DO Hydroxyl-d od  
126 OH- hydroxide anion oh-  
127 DS Mercapto-d ds  
128 HSe- selenium monohydride anion hse-  
129 TeH Telluryl radical teh  
130 D2O Deuterium oxide d2o  
131 H2O Water h2o  
132 HDO Water-d1 hdo  
133 D2S Hydrogen sulfide-d2 d2s  
134 H2S Hydrogen sulfide h2s  
135 H2Te Hydrogen Telluride h2te  
136 H3O+ hydronium cation h3o+  
137 H3Se+ Hydrogen Selenide, protonated h3se+  
138 Cl- Chlorine atom anion cl-  
139 Mn Manganese atom mn  
140 I Iodine atom iodine  
141 I- Iodine atom anion iodine-  
142 I+ Iodine atom cation iodine+  
143 DF Hydrofluoric acid-d df  
144 HF Hydrogen fluoride hf  
145 DCl Hydrochloric acid-d dcl  
146 HCl Hydrogen chloride hcl  
147 HI Hydrogen iodide hi  
148 HI+ Hydrogen iodide cation hi+  
149 H2F+ dihydrogen fluoride cation h2f+  
150 H2Br+ protonated hydrogen bromide h2br+  
151 H2I+ Iodonium h2i+  
152 Ne Neon atom ne  
153 Ne- Neon atom anion ne-  
154 Ar Argon atom ar  
155 Ar- Argon atom anion ar-  
156 Ar+ Argon atom cation ar+  
157 Fe Iron atom fe  
158 Kr Krypton atom kr  
159 Xe Xenon atom xe  
160 HeLi+ Helium Lithium cation heli+  
161 NeH+ neon hydrogen cation neh+  
162 ArH+ Argon hydride cation arh+  
163 KrH+ Protonated Krypton krh+  
164 XeH+ Xenon, protonated xeh+  
165 H2Ar H2 Ar dimer h2ar  
166 Co Cobalt atom cobalt  
167 Ni Nickel atom ni  
168 Li2 Lithium diatomic li2  
169 Li2- lithium diatomic anion li2-  
170 Li2+ lithium diatomic cation li2+  
171 NaLi lithium sodium lina  
172 NaLi- lithium sodium anion lina-  
173 NaLi+ lithium sodium cation lina+  
174 LiK Lithium Potassium lik  
175 Na2 Sodium diatomic na2  
176 NaK Sodium Potassium nak  
177 K2 Potassium diatomic k2  
178 Cu2 Copper diatomic cu2  
179 Be2 Beryllium diatomic be2  
180 Be2- Beryllium diatomic anion be2-  
181 Be2+ Beryllium diatomic cation be2+  
182 BeMg Beryllium Magnesium bemg  
183 Mg2 Magnesium diatomic mg2  
184 Mg2- magnesium diatomic anion mg2-  
185 Mg2+ magnesium diatomic cation mg2+  
186 Ca2 Calcium diatomic ca2  
187 LiAl Lithium Aluminum lial  
188 NaAl Sodium aluminum naal  
189 B2- Boron diatomic anion b2-  
190 Al2 Aluminum diatomic al2  
191 Al2- aluminum diatomic anion al2-  
192 Al2+ aluminum diatomic cation al2+  
193 LiBH4 Lithium borohydride libh4  
194 B2H4 Diborane(4) D2d b2h4  
195 HBHHBH Diborane(4) C2V hbhhbh  
196 B2H6 Diborane b2h6  
197 Al2H6 dialane al2h6  
198 Ga2H6 digallane ga2h6  
199 BC- boron monocarbide anion bc-  
200 BC+ boron monocarbide cation bc+  
201 C2 Carbon diatomic c2  
202 C2- carbon diatomic anion c2-  
203 SiC- silicon monocarbide anion sic-  
204 SiC+ silicon monocarbide cation sic+  
205 Si2 Silicon diatomic si2  
206 Si2- silcon diatomic anion si2-  
207 Si2+ silcon diatomic cation si2+  
208 C2H- Ethynyl anion c2h-  
209 C2H+ Ethynyl cation c2h+  
210 ZnCH2 Zinc methylene znch2  
211 C2H2 Acetylene c2h2  
212 CCH2 vinylidene vinylidene  
213 Si2H2 disilyne si2h2  
214 CuCH3 monomethyl copper cuch3  
215 ZnCH3 Zinc monomethyl znch3  
216 CH2BH methyleneborane ch2bh  
217 C2H3- vinyl anion c2h3-  
218 C2H3+ vinyl cation c2h3+  
219 C2H4 Ethylene c2h4  
220 CH3CH methylmethylene ch3ch  
221 CH2SiH2 silaethylene ch2sih2  
222 Si2H4 Disilene si2h4  
223 CH3BH2 methylborane ch3bh2  
224 C2H5- Ethyl anion c2h5-  
225 C2H5+ Ethyl cation c2h5+  
226 C2H6 Ethane c2h6  
227 CH3SiH3 methyl silane ch3sih3  
228 Si2H6 disilane si2h6  
229 GeH3CH3 methyl germane geh3ch3  
230 C2H7+ Ethane, protonated c2h7+  
231 LiN+ Lithium Nitride cation lin+  
232 BeN- Beryllium mononitride anion ben-  
233 BeN+ Beryllium mononitride cation ben+  
234 BN- boron nitride anion bn-  
235 AlN- aluminum mononitride anion aln-  
236 AlN+ aluminum mononitride cation aln+  
237 BN+ boron nitride cation bn+  
238 AlN Aluminum nitride aln  
239 CN- cyanide anion cn-  
240 CN+ Cyano cation cn+  
241 CP Carbon monophosphide cp  
242 CP- carbon monophosphide anion cp-  
243 CP+ carbon monophosphide cation cp+  
244 SiN Silicon nitride sin  
245 SiN- silicon mononitride anion sin-  
246 SiN+ silicon mononitride cation sin+  
247 SiP- Silicon monophosphide anion sip-  
248 SiP+ Silicon monophosphide cation sip+  
249 TiN Titanium mononitride tin  
250 N2 Nitrogen diatomic n2  
251 PN Phosphorus mononitride pn  
252 PN- phosphorus nitride anion pn-  
253 PN+ phosphorus nitride cation pn+  
254 P2 Phosphorus diatomic p2  
255 P2- phosphorus diatomic anion p2-  
256 P2+ phosphorus diatomic cation p2+  
257 AsN Arsenic mononitride asn  
258 AsP Arsenic monophosphide asp  
259 SbN Antimony nitride sbn  
260 As2 Arsenic diatomic as2  
261 HNB hydrogen nitrogen boron hnb  
262 HNC hydrogen isocyanide hnc  
263 HCN Hydrogen cyanide hcn  
264 HCN- Hydrogen cyanide anion hcn-  
265 HCP Phosphaethyne hcp  
266 NNH Dinitrogen monohydride nnh  
267 NNH+ Dinitrogen monohydride cation nnh+  
268 HPO Hydrogen phosphorus oxide hpo  
269 HPO+ Hydrogen phosphorus oxide cation hpo+  
270 LiNH2 lithium amide linh2  
271 HBNH Boranimine hbnh  
272 CNH2+ N-protonated hydrogen isocyanide cnh2+  
273 H2CN+ hydrocyanonium cation h2cn+  
274 HCNH+ N-protonated HCN hcnh+  
275 H2NN Isodiazene h2nn  
276 N2H2 (E)-diazene n2h2  
277 N2H2 (Z)-Diazene n2h2z  
278 CH2NH Methanimine ch3n  
279 CHNH2 aminomethylene chnh2  
280 CH2PH Phosphaethene ch3p  
281 BH2NH2 Boranamine bh2nh2  
282 CH2NH2+ methyleneamine cation ch2nh2+  
283 N2H4 Hydrazine n2h4  
284 P2H4 Diphosphine p2h4  
285 CH3NH2 methyl amine ch3nh2  
286 CH3PH2 Methyl phosphine ch3ph2  
287 SiH3NH2 Silane, amino sih3nh2  
288 N2H5+ protonated hydrazine n2h5+  
289 BH3PH3 borane phosphine bh3ph3  
290 BH3NH3 borane ammonia bh3nh3  
291 CH3NH3+ protonated methylamine ch3nh3+  
292 CH3PH3+ methyl phosphine, protonated ch3ph3+  
293 NH3NH3 Ammonia Dimer nh3nh3  
294 N2H7+ ammonia ammonium dimer n2h7+  
295 LiO- lithium oxide anion lio-  
296 LiO+ lithium oxide cation lio+  
297 NaO- sodium oxide anion nao-  
298 NaO+ sodium oxide cation nao+  
299 CuO Copper Monoxide cuo  
300 BeO beryllium oxide beo  
301 BeO- Beryllium monoxide anion beo-  
302 BeS beryllium sulfide bes  
303 MgO magnesium oxide mgo  
304 MgO- magnesium oxide anion mgo-  
305 MgO+ magnesium oxide cation mgo+  
306 CaO Calcium monoxide cao  
307 MgS magnesium sulfide mgs  
308 MgS- magnesium sulfide anion mgs-  
309 MgS+ magnesium sulfide cation mgs+  
310 CaS Calcium sulfide cas  
311 ZnO zinc monoxide zno  
312 ZnS Zinc sulfide zns  
313 BeS- Beryllium monosulfide anion bes-  
314 BeS+ Beryllium monosulfide cation bes+  
315 BO- boron monoxide anion bo-  
316 AlO Aluminum monoxide alo  
317 AlO- Aluminum monoxide anion alo-  
318 AlO+ aluminum monoxide cation alo+  
319 BS boron sulfide bs  
320 BS- boron monosulfide anion bs-  
321 BS+ boron monosulfide cation bs+  
322 AlS Aluminum sulfide als  
323 AlS- aluminum monosulfide anion als-  
324 AlS+ aluminum monosulfide cation als+  
325 BO+ boron monoxide cation bo+  
326 CO Carbon monoxide co  
327 CS carbon monosulfide cs  
328 CS- carbon monosulfide anion cs-  
329 CS+ carbon monosulfide cation cs+  
330 SiO Silicon monoxide sio  
331 SiO- silicon monoxide anion sio-  
332 SiO+ silicon monoxide cation sio+  
333 SiS silicon monosulfide sis  
334 SiS- silicon monosulfide anion sis-  
335 SiS+ silicon monosulfide cation sis+  
336 CSe Carbon monoselenide cse  
337 CSe- Carbon monoselenide anion cse-  
338 CSe+ Carbon monoselenide cation cse+  
339 GeO Germanium monoxide geo  
340 GeS Germanium monosulfide ges  
341 SiSe Silicon Monoselenide sise  
342 GeSe Germanium monoselenide gese  
343 NO+ nitric oxide cation no+  
344 NS+ nitrogen sulfide cation ns+  
345 PO- phosphorus monoxide anion po-  
346 PO+ phosphorus monoxide cation po+  
347 PS- phosphorus monosulfide anion ps-  
348 PS+ phosphorus monosulfide cation ps+  
349 AsO Arsenic monoxide aso  
350 O2 Oxygen diatomic o2  
351 O2-- dioxygen dianion o2--  
352 SO- sulfur monoxide anion so-  
353 S2- sulfur diatomic anion s2-  
354 S2+ sulfur diatomic cation s2+  
355 SeO- selenium monoxide anion seo-  
356 SeO+ selenium monoxide cation seo+  
357 SeS Selenium monosulfide ses  
358 SeS- selenium monosulfide anion ses-  
359 SeS+ selenium monosulfide cation ses+  
360 TeO Tellurium monoxide teo  
361 Se2- selenium diatomic anion se2-  
362 Se2+ selenium diatomic cation se2+  
363 Te2 Tellurium diatomic te2  
364 LiOH lithium hydroxide lioh  
365 NaOH sodium hydroxide naoh  
366 KOH Potassium hydroxide koh  
367 MgOH magnesium hydroxide mgoh  
368 CaOH Calcium monohydroxide caoh  
369 HBO Boron hydride oxide hbo  
370 HBS hydrogen boron sulfide hbs  
371 COH+ Carbon Monoxide, protonated coh+  
372 HCS Thioformyl radical hcs  
373 HCS- Thioformyl anion hcs-  
374 HCS+ Thioformyl cation hcs+  
375 HNO- Nitrosyl hydride anion hno-  
376 HNS Sulfur imide hns  
377 HNS- Sulfur imide anion hns-  
378 HO2- Hydroperoxy anion ho2-  
379 HSO+ Sulfur Monoxide, S-protonated HSO+  
380 H2CO Formaldehyde h2co  
381 HOCH hydroxycarbene hoch  
382 H2CS Thioformaldehyde h2cs  
383 H2CSe Selenoformaldehyde h2cse  
384 H2O2 Hydrogen peroxide h2o2  
385 H2OO water oxide h2oo  
386 HOSH hydrogen thioperoxide hosh  
387 H2S2 Disulfane h2s2  
388 H2Se2 hydrogen diselenide h2se2  
389 CH2OH+ hydroxymethyl cation ch2oh+  
390 CH3O Methoxy radical ch3o  
391 CH3O- methoxy anion ch3o-  
392 CH3S thiomethoxy ch3s  
393 H2CSH+ Thioformaldehyde, protonated h2csh+  
394 NH2OH hydroxylamine nh2oh  
395 NH3O Ammonia Oxide nh3o  
396 H2POH Phosphinous acid h2poh  
397 H3PO Phosphine oxide h3po  
398 NH2SH Thiohydroxylamine nh2sh  
399 NH3S sulfidoazane nh3s  
400 H3O2+ hydrogen peroxide, protonated h3o2+  
401 CH3OH Methyl alcohol ch3oh  
402 CH3SH Methanethiol ch3sh  
403 SiH3OH silanol sih3oh  
404 CH3SeH Methane selenol ch3seh  
405 H2OH2O water dimer h2oh2o  
406 CH3OH2+ Methanol, protonated ch3oh2+  
407 CH3SH2+ protonated methylsulfide ch3sh2+  
408 H2ONH3 Water Ammonia Dimer h2onh3  
409 H5O2+ Dihydroxonium ion h5o2+  
410 LiF lithium fluoride lif  
411 LiCl lithium chloride licl  
412 LiCl- lithium chloride anion licl-  
413 LiCl+ lithium chloride cation licl+  
414 NaF sodium fluoride naf  
415 NaF- sodium fluoride anion naf-  
416 KF Potassium Fluoride kf  
417 NaCl Sodium Chloride nacl  
418 NaCl- sodium chloride anion nacl-  
419 NaCl+ sodium chloride cation nacl+  
420 KCl Potassium Chloride kcl  
421 CuF Copper monofluoride cuf  
422 LiBr Lithium Bromide libr  
423 LiBr- lithium bromide anion libr-  
424 LiBr+ lithium bromide cation libr+  
425 CuCl Copper monochloride cucl  
426 NaBr Sodium Bromide nabr  
427 NaBr- sodium bromide anion nabr-  
428 NaBr+ sodium bromide cation nabr+  
429 KBr Potassium Bromide kbr  
430 LiI Lithium Iodide lii  
431 NaI Sodium Iodide nai  
432 KI Potassium Iodide ki  
433 LiF- lithium fluoride anion lif-  
434 BeF Beryllium monofluoride bef  
435 BeF- Beryllium monofluoride anion bef-  
436 BeF+ Beryllium monofluoride cation bef+  
437 BeCl beryllium monochloride becl  
438 MgF Magnesium monofluoride mgf  
439 MgF- magnesium fluoride anion mgf-  
440 MgF+ magnesium fluoride cation mgf+  
441 CaF Calcium monofluoride caf  
442 MgCl magnesium monochloride mgcl  
443 MgCl- magnesium monochloride anion mgcl-  
444 MgCl+ magnesium monochloride cation mgcl+  
445 CaCl calcium monochloride cacl  
446 ZnF- Zinc monofluoride anion znf-  
447 ZnF+ Zinc monofluoride cation znf+  
448 ZnCl Zinc monochloride zncl  
449 BeCl- beryllium monochloride anion becl-  
450 BeCl+ beryllium monochloride cation becl+  
451 BF Boron monofluoride bf  
452 BF- Boron monofluoride anion bf-  
453 BF+ Boron monofluoride cation bf+  
454 AlF Aluminum monofluoride alf  
455 AlF- Aluminum monofluoride anion alf-  
456 AlF+ Aluminum monofluoride cation alf+  
457 BCl boron monochloride bcl  
458 BCl- boron monochloride anion bcl-  
459 BCl+ boron monochloride cation bcl+  
460 AlCl Aluminum monochloride alcl  
461 AlCl- aluminum monochloride anion alcl-  
462 AlCl+ aluminum monochloride cation alcl+  
463 ScF Scandium monofluoride scf  
464 BBr Boron monobromide bbr  
465 AlBr Aluminum monobromide albr  
466 AlI Aluminum monoiodide ali  
467 GaBr Gallium monobromide gabr  
468 CF- carbon monofluoride anion cf-  
469 CF+ carbon monofluoride cation cf+  
470 CCl carbon monochloride ccl  
471 CCl- carbon monochloride anion ccl-  
472 CCl+ carbon monochloride cation ccl+  
473 SiF+ silicon monofluoride cation sif+  
474 SiCl- silicon monochloride anion sicl-  
475 SiCl+ silicon monochloride cation sicl+  
476 GeF+ Germanium monofluoride cation gef+  
477 GeCl+ Germanium monochloride cation gecl+  
478 NF nitrogen fluoride nf  
479 NF- nitrogen monofluorine anion nf-  
480 NF+ nitrogen monofluoirde cation nf+  
481 NCl- nitrogen monochloride anion ncl-  
482 NCl+ nitrogen monochloride cation ncl+  
483 PF phosphorus monofluoride pf  
484 PF- phosphorus monofluoride anion pf-  
485 PF+ phosphorus monofluoride cation pf+  
486 PCl phosphorus chloride pcl  
487 PCl- phosphorus monochloride anion pcl-  
488 PCl+ phosphorus monochloride cation pcl+  
489 SbF Antimony monofluoride sbf  
490 SbCl Antimony monochloride sbcl  
491 FO- flourine oxide anion fo-  
492 FO+ fluorine monoxide cation fo+  
493 ClO- chlorine monoxide anion clo-  
494 SF- sulfur monofluoride anion sf-  
495 SCl- sulfur monochloride anion scl-  
496 BrO- Bromine monoxide anion bro-  
497 IO Iodine monoxide io  
498 BrCl Bromine monochloride brcl  
499 F2 Fluorine diatomic f2  
500 ClF- clorine monofluoride anion clf-  
501 Cl2 Chlorine diatomic cl2  
502 BrF Bromine monofluoride brf  
503 BrF- bromine fluoride anion brf-  
504 BrF+ bromine fluoride cation brf+  
505 BrCl- bromine chloride anion brcl-  
506 BrCl+ bromine chloride cation brcl+  
507 IF Iodine monofluoride if  
508 Br2 Bromine diatomic br2  
509 ICl Iodine monochloride icl  
510 IBr Iodine monobromide ibr  
511 I2 Iodine diatomic i2  
512 I2+ Iodine diatomic cation i2+  
513 HCF Fluoromethylene hcf  
514 HCCl Chloromethylene hccl  
515 HSiF fluorosilylene hsif  
516 HSiCl Chlorosilylene hsicl  
517 HSiBr monobromosilylene hsibr  
518 CHBr bromomethylene chbr  
519 HOF Hypofluorous acid hfo  
520 DOCl Hypochlorous acid-d docl  
521 HOCl hypochlorous acid hocl  
522 HOBr Hypobromous acid hobr  
523 HOI Hypoiodous acid hoi  
524 F2H+ Fluorine, protonated f2h+  
525 FHF Hydrogen difluoride fhf  
526 ClFH+ Chlorine fluoride, F-protonated clfh+  
527 FClH+ Chlorine fluoride, Cl-protonated fclh+  
528 Cl2H+ Chlorine, protonated cl2h+  
529 CH2F+ fluoromethyl cation ch2f+  
530 CH2Cl+ chloromethyl cation ch2cl+  
531 NH2F monofluoroamine nh2f  
532 NH2Cl chloramine nh2cl  
533 H2F2 Hydrogen fluoride dimer h2f2  
534 CD3F methylfluoride-d3 cd3f  
535 CH3F Methyl fluoride ch3f  
536 CD3Cl methyl chloride d3 cd3cl  
537 CH3Cl Methyl chloride ch3cl  
538 SiH3F monofluorosilane sih3f  
539 SiH3Cl chlorosilane sih3cl  
540 GeH3F monofluorogermane geh3f  
541 GeH3Cl monochlorogermane geh3cl  
542 SiH3Br bromosilane sih3br  
543 CH3I methyl iodide ch3i  
544 SiH3I Silyl Iodide sih3i  
545 NH3Cl+ protonated monochloroammonia nh3cl+  
546 CH3ClH+ methyl chloride, protonated ch3clh+  
547 NH4Cl Ammonium chloride nh4cl  
548 LiNe+ Lithium Neon cation line+  
549 Ne2 Neon diatomic ne2  
550 Ar2 Argon diatomic ar2  
551 Li3+ Lithium trimer cation li3+  
552 C3+ carbon trimer cation c3+  
553 SiC2 Silicon dicarbide sic2  
554 C3H3 Propargyl radical propargyl  
555 C3H3- Propargyl anion c3h3-  
556 C3H3+ cyclopropenyl cation cpr+  
557 C3H3+ Propargyl cation c3h3+  
558 C3H4 cyclopropene cprop  
559 CH2CCH2 allene allene  
560 CH3CCH propyne propyne  
561 C3H5+ Allyl cation allyl+  
562 Zn(CH3)2 dimethyl zinc dmz  
563 C3H6 Cyclopropane c3h6  
564 CH2CHCH3 Propene propene  
565 C3H7+ cyclopropane, protonated c3h7+  
566 CH3CHCH3+ Isopropyl cation prop2yl+  
567 C3H8 Propane propane  
568 SiH2(CH3)2 dimethylsilane dms  
569 Si3H8 trisilane si3h8  
570 NaCN Sodium Cyanide nacn  
571 KCN Potassium cyanide kcn  
572 CuCN Copper cyanide cucn  
573 AlCN Aluminum monocyanide alcn  
574 AlNC Aluminum isocyanide alnc  
575 CN2 3H-Diazirin-3-ylidene cn2  
576 N3- azide anion n3-  
577 HCNN diazomethyl radical hcnn  
578 HNCNH diiminomethane hncnh  
579 CH2N2 diazirine ch2n2  
580 CH2NN diazomethane ch2nn  
581 NH2CN cyanamide cyanamide  
582 HNNNH+ 1,2-Triazadienium n2h3+  
583 NH2NN+ hydrazoic acid, protonated nh2nn+  
584 CH3CN Acetonitrile ch3cn  
585 CH3CN+ Acetonitrile cation ch3cn+  
586 CH3NC methyl isocyanide ch3nc  
587 CHNCH2 2H-Azirine c157164  
588 CHNHCH 1H-Azirine chnhch  
589 H2CCNH Ethenimine ch2cnh  
590 H2CNCH methyleneaminomethylene ch2nch  
591 HCCNH2 Ethynamine hccnh2  
592 HNCNH2+ diiminomethane, protonated hncnh2+  
593 NCNH3+ Cyanamide, protonated ncnh3+  
594 NH2CNH+ cyanamide, cn protonated nh2cnh+  
595 NH3CN+ cyanamide, amine protonated nh3cn+  
596 NHCHNH2 aminomethanimine cn2h4  
597 C2H5N Aziridine c2h5n  
598 CH2CHNH2 aminoethene aminoethene  
599 CH2NCH3 N-methylmethanimine nmm  
600 CH3CHNH ethanimine ethanimine  
601 NH2BHNH2 diaminoborane nh2bhnh2  
602 C2H5NH+ Protonated Aziridine c2h5nh+  
603 C2H6N+ aziridine, protonated c2h6n+  
604 NH2CH2NH2 diaminomethane nh2ch2nh2  
605 CH3CH2NH2 Ethylamine etam  
606 CH3NHCH3 Dimethylamine ch3nhch3  
607 CH3PHCH3 dimethylphosphine ch3phch3  
608 NH2CH2NH3+ diaminoethane, protonated pdam  
609 (CH3)2NH2+ dimethylammonium cation dmam  
610 CH3CH2NH3+ ethylamine, protonated pea  
611 Li2O dilithium oxide li2o  
612 Li2S dilithium sulfide li2s  
613 Na2O disodium monoxide na2o  
614 Na2S Sodium sulfide na2s  
615 CNO- fulminate cno-  
616 NCO- cyanate nco-  
617 SCN thiocyanato radical scn  
618 SCN- thiocyanide anion scn-  
619 BO2 Boron dioxide bo2  
620 BO2- Boron dioxide anion bo2-  
621 BO2+ Boron dioxide cation bo2+  
622 N2O Nitrous oxide n2o  
623 N2O+ Nitrous oxide cation n2o+  
624 NNS Nitrogen sulfide nns  
625 PPO Phosphorus oxide phosphide ppo  
626 CO2 Carbon dioxide co2  
627 CO2- Carbon dioxide anion co2-  
628 OCS Carbonyl sulfide cos  
629 OCS+ Carbonyl sulfide cation cos+  
630 SiO2 silicon dioxide sio2  
631 CS2 Carbon disulfide cs2  
632 CS2+ Carbon disulfide cation cs2+  
633 TiO2 Titanium dioxide tio2  
634 SiS2 Silicon disulfide sis2  
635 GeO2 Germanium dioxide geo2  
636 OCSe Carbonyl selenide ocse  
637 SCSe Carbon sulfide selenide scse  
638 GeS2 Germanium disulfide ges2  
639 CSe2 Carbon diselenide cse2  
640 SCTe Carbon sulfide Telluride scte  
641 NO2- Nitrogen dioxide anion no2-  
642 PO2 Phosphorus dioxide po2  
643 PO2- Phosphorus dioxide anion po2-  
644 PO2+ Phosphorus dioxide cation po2+  
645 O3 Ozone o3  
646 O3- Ozone anion o3-  
647 O3+ Ozone cation o3+  
648 SO2- Sulfur dioxide anion so2-  
649 SO2+ Sulfur dioxide cation so2+  
650 SSO Disulfur monoxide sso  
651 S3 Sulfur trimer s3  
652 SeO2 Selenium dioxide seo2  
653 TeO2 Tellurium Dioxide teo2  
654 CS2H+ Carbon disulfide, protonated cs2h+  
655 HCNO fulminic acid hcno  
656 HNCO Isocyanic acid hnco  
657 HOCN cyanic acid hocn  
658 HNCS Isothiocyanic acid hncs  
659 HSCN thiocyanic acid hscn  
660 HCO2- formate anion hco2-  
661 HNNO nitrosoazane hnno  
662 HNNO+ Nitrous oxide, N-protonated hnno+  
663 NNOH+ Nitrous Oxide, O-protonated nnoh+  
664 HOCO+ Hydrocarboxyl cation hoco+  
665 HNO2 Nitrous acid hno2  
666 HNO2+ nitrous acid cation hno2+  
667 O3H+ protonated ozone o3h+  
668 SO2H+ protonated sulfur dioxide so2h+  
669 C2H2O Oxirene oxirene  
670 CH2CO Ketene ch2co  
671 CH2CO+ Ketene cation ch2co+  
672 HCCOH ethynol hccoh  
673 CH2CS Thioketene ch2cs  
674 Be(OH)2 Beryllium hydroxide beo2h2  
675 Mg(OH)2 Magnesium dihydroxide h2mgo2  
676 NH2NO Nitrosamide nh2no  
677 CH2O2 Dioxirane diox  
678 H2COO Dioxymethyl radical h2coo  
679 H2COO+ dioxymethyl cation h2coo+  
680 HCOOH Formic acid ch2o2  
681 H2O3 Hydrogen trioxide h2o3  
682 HSSSH trisulfane hsssh  
683 NaOCH3 Sodium methoxide naoch3  
684 CH2BOH hydroxy(methylene)borane ch2boh  
685 BH3CO Borane carbonyl bh3co  
686 CH3BO Borane, methyloxo- ch3bo  
687 CH2CHO Vinyloxy radical ch2cho  
688 CH2COH+ ketene, protonated ch2coh+  
689 CH3CO Acetyl radical ch3co  
690 CH3CO- Acetyl anion ch3co-  
691 CH3CO+ acetyl cation ch3co+  
692 CH2NOH formaldoxime ch2noh  
693 CH3NO nitrosomethane ch3no  
694 CHONH2 formamide formamide  
695 CNOH3 1,2-oxaziridine cnoh3  
696 HOCHNH hydroxymethylimine hochnh  
697 CHSNH2 thioformamide chsnh2  
698 NHCHSH Methanimidothioic acid nhchsh  
699 CH2OOH CH2OOH radical ch2ooh  
700 CH3OO methylperoxy radical ch3oo  
701 CH3OO- methylperoxy anion ch3oo-  
702 CH3OO+ methylperoxy cation ch3oo+  
703 C2H4O Ethylene oxide c2h4o  
704 CH2CHOH ethenol ch2choh  
705 CH3CHO Acetaldehyde ch3cho  
706 C2H4S Thiirane thiirane  
707 CH2CHSH Ethenethiol ch2chsh  
708 CH3CHS Thioacetaldehyde ch3chs  
709 H2CONH2+ protonated formamide h2conh2+  
710 NH2CHOH+ Formamide, O-protonated nh2choh+  
711 NH3CHO+ Formamide, N-Protonated nh3cho+  
712 CH2(OH)2 methanediol ch2o2h2  
713 CH3OOH Methyl peroxide ch3ooh  
714 CH3SSH Hydrogen methyl disulfide ch3ssh  
715 HSCH2SH Methanedithiol ch4s2  
716 H2OH2CO water formaldehyde dimer h2oh2co  
717 C2H4OH+ ethylene oxide, protonated c2h4oh+  
718 CH3CH2O Ethoxy radical ethoxy  
719 CH3CHOH+ acetaldehyde, protonated ch3choh+  
720 CH3OCH2 methoxymethyl radical ch3och2  
721 NH2CH2OH aminomethanol nh2ch2oh  
722 CH3CH2OH Ethanol etoh  
723 CH3OCH3 Dimethyl ether meome  
724 CH3SCH3 Dimethyl sulfide mesme  
725 CH3SeCH3 dimethylselenide dmse  
726 CH3OHH2O methanol water dimer ch3ohh2o  
727 H2OCH3OH water methanol dimer h2och3oh  
728 ZnF2 Zinc difluoride znf2  
729 CNF iso cyanogen fluoride cnf  
730 FCN Cyanogen fluoride fcn  
731 ClCN chlorocyanogen clcn  
732 BrCN Cyanogen bromide brcn  
733 ICN Cyanogen iodide icn  
734 FBO Boron monofluoride monoxide fbo  
735 BeF2 Beryllium fluoride bef2  
736 MgF2 Magnesium fluoride mgf2  
737 BeCl2 Beryllium chloride becl2  
738 MgCl2 Magnesium dichloride mgcl2  
739 CaCl2 Calcium Chloride cacl2  
740 ZnCl2 Zinc dichloride zncl2  
741 BeBr2 Beryllium bromide bebr2  
742 CaBr2 Calcium dibromide cabr2  
743 CaF2 Calcium difluoride caf2  
744 FCO+ Carbonyl fluoride cation fco+  
745 FNO Nitrosyl fluoride fno  
746 ClNO Nitrosyl chloride clno  
747 FNS Thionitrosyl fluoride fns  
748 FSN Thiazyl fluoride fsn  
749 OPCl Phosphorus oxychloride opcl  
750 BrNO Nitrosyl bromide brno  
751 INO Nitrosyl iodide ino  
752 CF2 Difluoromethylene cf2  
753 CF2- Difluoromethylene anion cf2-  
754 CF2+ Difluoromethylene cation cf2+  
755 CFCl chlorofluoromethylene cfcl  
756 SiF2 Silicon difluoride sif2  
757 CCl2 dichloromethylene ccl2  
758 CCl2- dichloromethylene anion ccl2-  
759 CCl2+ dichloromethylene cation ccl2+  
760 SiCl2 Dichlorosilylene sicl2  
761 GeF2 Germanium difluoride gef2  
762 GeCl2 Germanium dichloride gecl2  
763 CBr2 dibromomethylene cbr2  
764 FOO Dioxygen monofluoride radical foo  
765 ClOO chloroperoxy radical cloo  
766 ClOO+ chloroperoxy cation cloo+  
767 OClO+ Chlorine dioxide cation oclo+  
768 ClS2 Sulfur chloride cls2  
769 NF2 Difluoroamino radical nf2  
770 NF2+ Difluoroamino cation nf2+  
771 PF2+ Phosphorus difluoride cation pf2+  
772 FClO chlorosyl fluoride fclo  
773 F2O Difluorine monoxide f2o  
774 ClOF Chlorine hypofluorite clof  
775 SF2 sulfur difluoride sf2  
776 SF2+ sulfur difluoride cation sf2+  
777 Cl2O Dichlorine monoxide cl2o  
778 SCl2 Sulfur dichloride scl2  
779 SeF2 Selenium difluoride sef2  
780 BrOCl Bromine hypochlorite brocl  
781 SeCl2 Selenium Dichloride secl2  
782 SBr2 Sulfur dibromide sbr2  
783 SeBr2 Selenium dibromide sebr2  
784 BrOBr Bromine oxide brobr  
785 F3- trifluoride anion f3-  
786 Cl3- trichloride anion cl3-  
787 Br3- tribromide anion br3-  
788 I3- triiodide i3-  
789 SFCl Sulfur chloride fluoride sfcl  
790 HCCF Fluoroacetylene hccf  
791 HCCF+ fluoroacetylene cation hccf+  
792 HCCCl Chloroacetylene hcccl  
793 HCCBr bromoacetylene hccbr  
794 HFCO formyl fluoride hfco  
795 COHCl Formyl chloride cohcl  
796 COHBr Formyl bromide cohbr  
797 BHF2 Difluoroborane bhf2  
798 BHCl2 Borane, dichloro- bhcl2  
799 CHF2+ difluoromethyl cation chf2+  
800 CHFCl+ Chlorofluoromethyl cation chfcl+  
801 CHCl2+ dichloromethyl cation chcl2+  
802 HOClO Chlorous acid hoclo  
803 NHF2 difluoramine nhf2  
804 NHCl2 dichloroamine nhcl2  
805 CH2F2 Methane, difluoro- ch2f2  
806 CH2FCl fluorochloromethane ch2fcl  
807 SiH2F2 difluorosilane sih2f2  
808 CH2Cl2 Methylene chloride ch2cl2  
809 CH2BrF Methane, bromofluoro- ch2fbr  
810 CH2BrCl Methane, bromochloro- ch2clbr  
811 CH2FI fluoroiodomethane ch2fi  
812 CH2Br2 dibromomethane ch2br2  
813 CH2ClI chloroiodomethane ch2cli  
814 CH2BrI bromoiodomethane ch2bri  
815 CH2I2 Diiodomethane ch2i2  
816 SiH2Cl2 dichlorosilane sih2cl2  
817 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
818 CH2CHF+ fluoroethene cation ch2chf+  
819 C2H3Cl Ethene, chloro- ch2chcl  
820 C2H3Br vinyl bromide c2h3br  
821 C2H3I Vinyl iodide c2h3i  
822 CH2FOH fluoromethanol ch2foh  
823 CH3OCl methyl hypochlorite ch3ocl  
824 C2H5F fluoroethane c2h5f  
825 CH3CH2Cl Ethyl chloride c2h5cl  
826 CH3SiFH2 fluoromethylsilane ch3sifh2  
827 C2H5Br Ethyl bromide etbr  
828 C2H5I Ethyl iodide c2h5i  
829 KrF2 Krypton difluoride krf2  
830 XeF2 Xenon difluoride xef2  
831 B4H10 Tetraborane(10) b4h10  
832 C4+ Carbon tetramer cation c4+  
833 C4H2 Diacetylene c4h2  
834 C2H3CCH 1-Buten-3-yne c2h3cch  
835 C4H4 cyclobutadiene cbd  
836 C4H4 Tetrahedrane c4h4  
837 H2CCCCH2 Butatriene h2cccch2  
838 C4H6 1-Methylcyclopropene c3100047  
839 C4H6 Cyclobutene c822355  
840 C4H6 Methylenecyclopropane c6142730  
841 CH2CCHCH3 1,2-Butadiene butad12  
842 CH2CHCHCH2 1,3-Butadiene c106990  
843 CH3CCCH3 2-Butyne c503173  
844 CHCCH2CH3 1-Butyne c107006  
845 C4H8 methylcyclopropane mcp  
846 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
847 CH2CHCH2CH3 1-Butene bute1  
848 CH3CHCHCH3 2-Butene, (E)- bute2e  
849 CH3CHCHCH3 2-Butene, (Z)- bute2z  
850 B(CH3)3 trimethylborane bme3  
851 Al(CH3)3 trimethyl aluminum tma  
852 C(CH3)3 Tert-butyl radical tbutyl  
853 CH2CH(CH3)2 Isobutyl radical isobutyl  
854 CH3CHCH2CH3 2-Butyl radical butyl2  
855 CH3CH(CH3)CH3 Isobutane isobutane  
856 CH3CH2CH2CH3 Butane butane  
857 SiH(CH3)3 trimethylsilane trimsi  
858 Li3N trilithium nitride li3n  
859 C2N2 Cyanogen c2n2  
860 C2N2+ Cyanogen cation c2n2+  
861 P4 Phosphorus tetramer p4  
862 As4 Arsenic tetramer as4  
863 HCCCN Cyanoacetylene hcccn  
864 H2CNCN cyanamide, methylene ch2ncn  
865 HNCCNH Ethenediimine hnccnh  
866 C3H3N acrylonitrile ch2chcn  
867 CH3N3 methyl azide ch3n3  
868 NH2CCNH2 Diaminoacetylene daa  
869 NH2CH2CN Aminoacetonitrile aan  
870 CH3NHN2+ methyl azide, protonated ch3nhn2+  
871 C2H5CN ethyl cyanide c2h5cn  
872 CH5N3 Guanidine guanidine  
873 C4H6 Bicyclo[1.1.0]butane c157335  
874 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
875 H2NCHCHNH2 diaminoethylene dae  
876 CH6N3+ guanidinium ch6n3+  
877 C3H7N Cyclopropylamine cpram  
878 CH7N3 triaminomethane tam  
879 C3H7N Azetidine azet  
880 C4H8 cyclobutane cbutane  
881 C2H8N2 Ethylenediamine ethdiam  
882 CH3NHNHCH3 dimethyl hydrazine dmh  
883 CH3CH(NH2)CH3 2-Propanamine pram2  
884 N(CH3)3 Trimethylamine trimeam  
885 NH2CH2CH2CH3 1-Propanamine pram1  
886 P(CH3)3 trimethylphosphine tmp  
887 N(SiH3)3 trisilylamine tsa  
888 As(CH3)3 trimethyl arsine tmas  
889 (CH3)3NH+ protonated trimethyl amine ptma  
890 C3H7NH3+ n-propylamine, protonated c3h7nh2  
891 Li2O2 dilithium dioxide li2o2  
892 Na2O2 disodium dioxide na2o2  
893 K2O2 dipotassium dioxide k2o2  
894 C3O Tricarbon monoxide c3o  
895 B2O2 Diboron dioxide b2o2  
896 ONNO NO dimer onno  
897 S2N2 Disulfur dinitride s2n2  
898 CO3 Carbon trioxide co3  
899 CO3-- carbonate co3--  
900 CS3-- Carbonotrithioate cs3--  
901 NO3 Nitrogen trioxide no3  
902 NO3- nitrate anion no3-  
903 NO3+ nitrogen trioxide cation no3+  
904 SO3 Sulfur trioxide so3  
905 SO3- Sulfur trioxide anion so3-  
906 SO3-- Sulfate dianion so3--  
907 SO3+ Sulfur trioxide cation so3+  
908 SeO3 selenium trioxide seo3  
909 S4 Sulfur tetramer s4  
910 TeO3 Tellurium trioxide teo3  
911 HCO3- bicarbonate anion hco3-  
912 HNO3 Nitric acid hno3  
913 HSO3 Hydroxysulfonyl radical hso3  
914 NH2NO2 nitramide nh2no2  
915 C2H2CO cyclopropenone c2h2co  
916 C3H2O Propadienal c3h2o  
917 HCCCHO 2-propynal hcccho  
918 C2H2O2+ Ethanedial cation c2h2o2+  
919 H2CO3 Carbonic acid h2co3  
920 H2CS3 thiocarbonic acid h2cs3  
921 H2NO3+ Nitric Acid, Protonated h2no3+  
922 H2SO3 Sulfurous acid h2so3  
923 C2H3NO Nitrosoethylene c2h3no  
924 CH3NCO methylisocyante ch3nco  
925 HOCH2CN cyanomethanol hoch2cn  
926 CH3COO- acetate anion ch3coo-  
927 CH3NO2 Methane, nitro- ch3no2  
928 CH3ONO Methyl nitrite ch3ono  
929 NH2COOH Carbamic acid nh2cooh  
930 H3BO3 Boric acid h3bo3  
931 H3AlO3 Aluminum hydroxide h3alo3  
932 H3CO3+ carbonic acid, protonated h3co3+  
933 C3H4O 2-Propyn-1-ol c107197  
934 C3H4O allenol c9000071  
935 C3H4O Cyclopropanone cpone  
936 C3H4O Methylketene c6004440  
937 CH2CHCHO Acrolein c3h4o  
938 NH2CONH2 Urea urea  
939 NH2CONH2+ Urea cation urea+  
940 NH2CSNH2 Thiourea thiourea  
941 C2H4O2 1,3-dioxetane c2h4o2  
942 CH3COOH Acetic acid ch3cooh  
943 CH3OCHO methyl formate ch3ocho  
944 CHOCH2OH hydroxy acetaldehyde haa  
945 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
946 NH3COOH+ protonated Carbamic acid nh3cooh+  
947 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
948 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
949 HCOOHH2O Formic acid water dimer hcoohh2o  
950 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
951 CH2C(OH)NH2 1-amino vinyl alchohol ava  
952 CH3C(OH)=NH Ethaninidic acid eia  
953 CH3CHNOH Acetaldoxime acetaldoxime  
954 CH3CONH2 Acetamide acetamide  
955 HCONHCH3 N-methylformamide nmfa  
956 CH3CSNH2 Ethanethioamide ch3csnh2  
957 CH5N2O+ urea, N-protonated ch4n2o+  
958 H2NCOHNH2+ urea, protonated ureah+  
959 C2H5OO ethylperoxy radical c2h5oo  
960 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
961 C3H5OH Cyclopropanol cproh  
962 C3H6O 2-Propen-1-ol c107186  
963 C3H6O Acetone enol enol  
964 C3H6O Oxetane oxetane  
965 C3H6O Propylene oxide prox  
966 CH3CH2CHO Propanal propanal  
967 CH3COCH3 Acetone acetone  
968 C3H6S Thietane thietane  
969 C3H6S Thiirane, methyl- methiirane  
970 CH3CSCH3 Thioacetone ch3csch3  
971 C2H6O2 1,2-Ethanediol ethdiol  
972 CH3OOCH3 dimethylperoxide dmp  
973 CH3SOCH3 Dimethyl sulfoxide dmso  
974 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
975 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
976 CH3COHCH3+ acetone, protonated acetoneh+  
977 HOCH2CH2NH2 monoethanolamine mea  
978 C3H7OH 1-Propanol proh  
979 CH3CHOHCH3 Isopropyl alcohol isoproh  
980 CH3OC2H5 Ethane, methoxy- etome  
981 C3H7SH 1-Propanethiol prsh  
982 CH3CHSHCH3 2-Propanethiol isoprsh  
983 CH3SCH2CH3 Ethane, (methylthio)- etsme  
984 H2OCH3OCH3 water dimethylether dimer h2och3och3  
985 Li2F2 Lithium fluoride dimer li2f2  
986 Na2F2 Sodium Fluoride Dimer na2f2  
987 Na2Cl2 Disodium dichloride na2cl2  
988 C2F2 difluoroacetylene c2f2  
989 C2Cl2 dichloroacetylene c2cl2  
990 C2Cl2+ dichloroacetylene cation c2cl2+  
991 FNO2 Nitryl fluoride fno2  
992 FONO Nitrosyl hypofluorite fono  
993 ClNO2 Nitryl chloride clno2  
994 ClONO chlorine nitrite clono  
995 BrONO Bromine nitrite brono  
996 N2F2 (Z)-Difluorodiazene n2f2_z  
997 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
998 CF2O Carbonic difluoride f2co  
999 COFCl Carbonic chloride fluoride cofcl  
1000 CCl2O Phosgene cl2co  
1001 Cl2CS Thiophosgene cl2cs  
1002 COBr2 Carbonic dibromide cobr2  
1003 BF3 Borane, trifluoro- bf3  
1004 BF3- Borane, trifluoro- anion bf3-  
1005 AlF3 Aluminum trifluoride alf3  
1006 BClF2 Chlorodifluoroborane bclf2  
1007 AlF2Cl Aluminum chloride difluoride alclf2  
1008 ScF3 Scandium trifluoride ScF3  
1009 AlFCl2 Aluminum dichloride fluoride alcl2f  
1010 BCl3 Borane, trichloro- bcl3  
1011 GaF3 Gallium trifluoride gaf3  
1012 AlCl3 Aluminum trichloride alcl3  
1013 GaCl3 Gallium trichloride gacl3  
1014 BBr3 Boron tribromide bbr3  
1015 AlBr3 Aluminum Bromide albr3  
1016 ClO3 Chlorine trioxide clo3  
1017 ClO3- chlorate anion clo3-  
1018 BrO3- Bromate anion bro3-  
1019 CF3 Trifluoromethyl radical cf3  
1020 CCl3 Trichloromethyl radical ccl3  
1021 CCl3- Trichloromethyl anion ccl3-  
1022 CCl3+ Trichloromethyl cation ccl3+  
1023 SiCl3 trichlorosilyl radical sicl3  
1024 SiCl3+ trichlorosilyl cation sicl3+  
1025 FOOF Perfluoroperoxide foof  
1026 ClO2F Chloryl fluoride clo2f  
1027 F2SO Thionyl Fluoride f2so  
1028 ClOOCl Dichlorine dioxide cloocl  
1029 FSSF Difluorodisulfane fssf  
1030 S2F2 Thio-thionyl fluoride s2f2  
1031 SOCl2 thionyl chloride socl2  
1032 SSCl2 Thiothionyl chloride sscl2  
1033 SeOCl2 selenium oxychloride seocl2  
1034 NF3- Nitrogen trifluoride anion nf3-  
1035 NF3+ Nitrogen trifluoride cation nf3+  
1036 PF3 Phosphorus trifluoride pf3  
1037 NCl3 nitrogen trichloride ncl3  
1038 AsF3 Arsenic trifluoride asf3  
1039 PCl3 Phosphorus trichloride pcl3  
1040 SbF3 Antimony Trifluoride sbf3  
1041 AsCl3 Arsenous trichloride ascl3  
1042 SbCl3 Antimony Trichloride sbcl3  
1043 NBr3 Nitrogen Tribromide nbr3  
1044 PBr3 Phosphorus tribromide pbr3  
1045 AsBr3 Arsenic tribromide asbr3  
1046 NI3 Nitrogen triiodide ni3  
1047 PI3 Phosphorus triiodide pi3  
1048 ClSSCl Disulfur dichloride s2cl2  
1049 ClF3 Chlorine trifluoride clf3  
1050 BrF3 Bromine trifluoride brf3  
1051 IF3 iodone trifluoride if3  
1052 HClO3 Chloric Acid hclo3  
1053 CHF3 Methane, trifluoro- chf3  
1054 CHF2Cl difluorochloromethane chf2cl  
1055 SiHF3 trifluorosilane sihf3  
1056 CHFCl2 fluorodichloromethane chfcl2  
1057 CDCl3 trichloromethane-d cdcl3  
1058 CHCl3 Chloroform chcl3  
1059 CHBrF2 Methane, bromodifluoro- chbrf2  
1060 SiHCl3 Trichlorosilane sihcl3  
1061 CHFClBr fluorochlorobromomethane chfclbr  
1062 CHF2I difluoroiodomethane chf2i  
1063 CHBr2F dibromofluoromethane chbr2f  
1064 CHFClI fluorochloroiodomethane chfcli  
1065 CHCl2I dichloroiodomethane chcl2i  
1066 CHClBr2 Methane, dibromochloro- chclbr2  
1067 CHBr3 bromoform chbr3  
1068 CHI3 Iodoform chi3  
1069 NF3H+ protonated nitrogen trifluoride nf3h+  
1070 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1071 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1072 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1073 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1074 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1075 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1076 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1077 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1078 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1079 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1080 C2H2Br2 1,1-dibromoethene c2h2br2  
1081 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1082 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1083 CH2FCHO Fluoroacetaldehyde ch2fcho  
1084 CH3COF Acetyl fluoride ch3cof  
1085 CH2ClCHO chloroacetaldehyde ch2clcho  
1086 CH3COCl Acetyl Chloride ch3cocl  
1087 C2H4F2 1,2-difluoroethane c2h4f2  
1088 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1089 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1090 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1091 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1092 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1093 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1094 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1095 CH2CFCH3 2-fluoropropene 2fpro  
1096 CH2CHCH2F Allyl Fluoride allylf  
1097 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1098 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1099 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1100 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1101 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1102 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1103 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1104 CH2FCH2CH3 1-Fluoropropane prf1  
1105 CH3CHFCH3 2-Fluoropropane prf2  
1106 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1107 CH3CHClCH3 Propane, 2-chloro- prcl2  
1108 CH3CH2CH2Br n-propyl bromide prbr  
1109 CH3CHBrCH3 i-propyl bromide iprbr  
1110 C3H9O+ trimethyl oxonium cation c3h9o+  
1111 B5H9 pentaborane9 b5h9  
1112 C5H4 pentatetraene ptrene  
1113 C5H5- cylopentadienyl anion c5h5-  
1114 C5H6 1,3-Cyclopentadiene c542927  
1115 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1116 C5H6 3-Penten-1-yne, (E)- c2004695  
1117 C5H6 3-Penten-1-yne, (Z)- c1574409  
1118 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1119 C5H6 Cyclopropylacetylene c6746947  
1120 C5H6 Propellane propellane  
1121 C5H7 1,3-pentadienyl radical pdyl  
1122 C5H7 cyclopentenyl radical cpyl  
1123 C5H8 1,2-Butadiene, 3-methyl- c598254  
1124 C5H8 1,2-Pentadiene c591957  
1125 C5H8 1,3-Butadiene, 2-methyl- c78795  
1126 C5H8 1,3-Pentadiene, (E)- c2004708  
1127 C5H8 1,3-Pentadiene, (Z)- c1574410  
1128 C5H8 1,4-Pentadiene c591935  
1129 C5H8 1-pentyne a1pentyne  
1130 C5H8 2,3-Pentadiene c591968  
1131 C5H8 Bicyclo[1.1.1]pentane bcp  
1132 C5H8 Cyclobutane, methylene- c1120565  
1133 C5H8 Cyclopentene c142290  
1134 C5H8 Ethenylcyclopropane c693867  
1135 CH3CCCH2CH3 2-Pentyne 2pentyne  
1136 C5H10 1-Butene, 2-methyl- c563462  
1137 C5H10 2-Butene, 2-methyl- c513359  
1138 C5H10 2-Pentene, (E)- c646048  
1139 C5H10 2-Pentene, (Z)- c627203  
1140 C5H10 Cyclopentane c287923  
1141 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1142 CH2CHCH2CH2CH3 1-pentene pentene  
1143 C5H11 2-Methylbut-2-yl radical c4348350  
1144 C5H12 Butane, 2-methyl- buta2  
1145 C5H12 Pentane pentane  
1146 C5H12 Propane, 2,2-dimethyl- neopentane  
1147 Si(CH3)4 tetramethylsilane tms  
1148 N2O3 Dinitrogen trioxide n2o3  
1149 C3H2N2 Malononitrile c3h2n2  
1150 CH2N4 1H-Tetrazole 1htz  
1151 C3H3N2- imidizolyl anion im-  
1152 C2H3N3 1H-1,2,4-Triazole c288880  
1153 C4H4N- pyrrolide anion c4h4n-  
1154 C3H4N2 1H-Imidazole 1himidaz  
1155 C3H4N2 1H-Pyrazole 1hpyraz  
1156 C3H4N2 2H-Imidazole imid2h  
1157 C3H4N2 4H-Imidazole imid4h  
1158 C4H5N (E)-2-Butenenitrile c627269  
1159 C4H5N (Z)-2-Butenenitrile c1190767  
1160 C4H5N 2H-pyrrole pyrrole2  
1161 C4H5N 3H-pyrrole pyrrole3  
1162 C4H5N Cyclopropanecarbonitrile c5500210  
1163 C4H5N Pyrrole pyrrole  
1164 CH2CHCH2CN Allylcyanide ch2chch2cn  
1165 C4H6N+ pyrrole, alpha-protonated appyr  
1166 C4H6N+ pyrrole, beta-protonated bppyr  
1167 C4H6N+ pyrrole, protonated ppyr  
1168 C3H6N2 3-Aminopropionitrile c151188  
1169 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1170 CH3CH2CH2CN Butanenitrile c109740  
1171 C5H8 Bicyclo[2.1.0]pentane c185944  
1172 C5H8 Spiropentane c157404  
1173 C4H9N Cyclobutylamine cbam  
1174 C4H9N Pyrrolidine pyrrolidine  
1175 C3H10N2 1,2-Diaminopropane diampr12  
1176 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1177 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1178 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1179 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1180 NH(C2H5)2 diethylamine dea  
1181 NC4H12+ tetramethyl ammonium cation nc4h12+  
1182 C3O2 Carbon suboxide c3o2  
1183 C3O2+ Carbon suboxide cation c3o2+  
1184 B2O3 diboron trioxide b2o3  
1185 MgCO3 Magnesium Carbonate mgco3  
1186 BeCO3 Beryllium Carbonate beco3  
1187 CaCO3 Calcium Carbonate caco3  
1188 ONONO Nitrosyl nitrite onono  
1189 PO4--- phosphate po4---  
1190 SO4-- sulfate so4--  
1191 HOONO2 peroxy nitric acid hoono2  
1192 HSO4- bisulfate anion hso4-  
1193 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1194 C3H2O2 Propiolic acid c3h2o2  
1195 CHOCOOH oxo acetic acid oaa  
1196 CHOOCHO diformyl ether choocho  
1197 H2SO4 Sulfuric acid h2so4  
1198 H2SeO4 Selenic acid h2seo4  
1199 C3H3NO Isoxazole isox  
1200 C3H3NO Oxazole oxazole  
1201 C3H3NS Thiazole thiazole  
1202 CH3C(O)OO acetyl peroxy radical ch3coo2  
1203 CH3NO3 Methyl nitrate ch3no3  
1204 H3PO4 Phosphoric Acid h3po4  
1205 C4H4O Furan furan  
1206 C4H4O+ Furan cation furan+  
1207 CH3COCCH 3-butyn-2-one c1423605  
1208 C4H4S Thiophene furans  
1209 C4H4Se selenophene c4h4se  
1210 C3H4O2 β–Propiolactone beta  
1211 C3H4O2 2-Propenoic acid propenoic2  
1212 C3H4O2 Methyl glyoxal megly  
1213 C3H4O2 propanedial propanedial  
1214 C3H4O2 propenalol propenalol  
1215 HOCHCCHOH allenediol aldiol  
1216 C2H4O3 1,2,3-trioxolane c2h4o3  
1217 C2H4O3 trioxolane124 triox  
1218 HOCH2COOH Hydroxyacetic acid hac  
1219 CH2CHCONH2 Acrylamide c79061  
1220 CH3OCH2CN Methoxyacetonitrile c1738369  
1221 CH5N3S Hydrazinecarbothioamide c79196  
1222 H2NCH2COOH Glycine glycine  
1223 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1224 C4H6O cis-2-butenal butenal2c  
1225 C4H6O Cyclobutanone cbutone  
1226 C4H6O Furan, 2,3-dihydro- furan23h  
1227 C4H6O Furan, 2,5-dihydro- furan25h  
1228 CH2CHOCHCH2 Vinyl ether vinylether  
1229 CHOCHCHCH3 2-Butenal butenal2  
1230 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1231 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1232 CH2CHSCHCH2 Divinyl sulfide divis  
1233 C2H6N2O Urea, methyl- c598505  
1234 C3H6O2 1,3-Dioxolane dioxolane  
1235 CH3CH2COOH Propanoic Acid propanoic  
1236 CH3COOCH3 methyl acetate aame  
1237 HCOOC2H5 Ethyl formate faee  
1238 C2H6O2S Dimethyl sulfone c67710  
1239 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1240 C3H7NO dimethylformamide dmf  
1241 C3H7NO Propanamide propanam  
1242 C2H3OC2H5 Ethene, ethoxy- c109922  
1243 C4H8O Cyclobutanol c2919235  
1244 C4H8O Furan, tetrahydro- thf  
1245 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1246 CH3COCH2CH3 2-Butanone buta2one  
1247 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1248 CHOCH2CH2CH3 Butanal butanal  
1249 C4H8S Thiophene, tetrahydro- tht  
1250 C3H8O2 1,3-Propanediol c504632  
1251 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1252 C3H8O2 Methane, dimethoxy- c109875  
1253 C3H8O2 Propylene glycol c57556  
1254 C3H8S2 1,3-Propanedithiol c109808  
1255 C4H10O 1-Butanol butanol1  
1256 C4H10O 1-Propanol, 2-methyl- c78831  
1257 C4H10O 2-Butanol, (.+/-.)- butanol2  
1258 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1259 C4H10O Ethoxy ethane etoet  
1260 C4H10O Methyl propyl ether meopr  
1261 C4H10O Propane, 2-methoxy- c598538  
1262 C4H10O+ 1-Butanol cation butanol1+  
1263 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1264 C2H5SC2H5 Diethyl sulfide etset  
1265 C4H9SH 1-Butanethiol bush  
1266 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1267 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1268 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1269 FNO3 Fluorine nitrate fno3  
1270 ClONO2 Chlorine nitrate clono2  
1271 BrONO2 Bromine nitrate brono2  
1272 TiCl4 Titanium tetrachloride ticl4  
1273 ClO4- perchlorate anion clo4-  
1274 BF4- tetrafluoroboron anion bf4-  
1275 ClFO3 Perchloryl fluoride clfo3  
1276 SO2F2 Sulfuryl fluoride so2f2  
1277 SO2Cl2 Sulfuryl chloride so2cl2  
1278 F3NO Nitrogen trifluoride oxide f3no  
1279 F3PO Phosphoryl fluoride pf3o  
1280 Cl3PO Phosphoryl chloride pcl3o  
1281 CF4 Carbon tetrafluoride cf4  
1282 CF3Cl Methane, chlorotrifluoro- cf3cl  
1283 SiF4 Silicon tetrafluoride sif4  
1284 CF2Cl2 difluorodichloromethane cf2cl2  
1285 TiF4 Titanium tetrafluoride tif4  
1286 CFCl3 Trichloromonofluoromethane cfcl3  
1287 CF3Br Bromotrifluoromethane cf3br  
1288 GeF4 Germanium tetrafluoride gef4  
1289 CCl4 Carbon tetrachloride ccl4  
1290 CCl4+ Carbon tetrachloride cation ccl4+  
1291 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1292 SiCl4 Silane, tetrachloro- sicl4  
1293 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1294 CF3I trifluoroiodomethane cf3i  
1295 CBrCl3 Methane, bromotrichloro- cbrcl3  
1296 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1297 GeCl4 Germanium Tetrachloride gecl4  
1298 CBr2ClF dibromochlorofluoromethane cbr2clf  
1299 CBr2Cl2 dibromodichloromethane cbr2cl2  
1300 CCl3I trichloroiodomethane ccl3i  
1301 CFBr3 fluorotribromomethane cfbr3  
1302 CFClBrI fluorochlorobromoiodomethane cfclbri  
1303 CBr3Cl tribromochloromethane cbr3cl  
1304 CF2I2 difluorodiiodomethane cf2i2  
1305 CCl2I2 dichlorodiiodomethane ccl2i2  
1306 SiBr4 Silicon tetrabromide sibr4  
1307 CBr3I tribromoiododmethane cbr3i  
1308 GeBr4 Germanium tetrabromide gebr4  
1309 CI4 tetraiodomethane ci4  
1310 SiI4 silicon tetraiodide sii4  
1311 ClOF3 Chlorine trifluoride oxide clof3  
1312 SF4 Sulfur tetrafluoride sf4  
1313 SeF4 Selenium tetrafluoride sef4  
1314 SCl4 Sulfur tetrachloride scl4  
1315 C2HF3 Trifluoroethylene c2hf3  
1316 C2HF3+ Trifluoroethylene cation c2hf3+  
1317 CHClCCl2 Trichloroethylene chclccl2  
1318 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1319 HClO4 perchloric acid hclo4  
1320 HSO3F Fluorosulfonic acid hso3f  
1321 CF3OH trifluoromethanol cf3oh  
1322 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1323 CHClCCHCl 1,3-dichloroallene chclcchcl  
1324 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1325 CHCl2CHO dichloroacetaldehyde chcl2cho  
1326 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1327 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1328 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1329 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1330 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1331 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1332 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1333 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1334 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1335 NH3BCl3 Amminetrichloroboron nh3bcl3  
1336 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1337 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1338 C3H5ClO Oxirane, (chloromethyl)- c106898  
1339 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1340 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1341 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1342 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1343 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1344 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1345 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1346 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1347 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1348 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1349 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1350 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1351 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1352 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1353 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1354 C4H9F 1-fluorobutane butaf1  
1355 CH3CHFCH2CH3 2-fluorobutane butaf2  
1356 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1357 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1358 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1359 XeF4 Xenon tetrafluoride xef4  
1360 C2H2N2O Furazan furazan  
1361 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1362 NH3BF3 Amminetrifluoroboron nh3bf3  
1363 C6H2 hexatriyne c6h2  
1364 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1365 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1366 C6H4 Benzyne benzyne  
1367 C6H5 phenyl phenyl  
1368 C6H5- phenyl anion phenyl-  
1369 C6H6 Prismane prismane  
1370 C6H6 1,2,4,5-Hexatetraene ht1245  
1371 C6H6 2,4-Hexadiyne hexadiyne  
1372 C6H6 3,4-Dimethylenecyclobutene cb34m  
1373 C6H6 Benzene benzene  
1374 C6H6 Benzvalene bv  
1375 C6H6 Dewar Benzene dewar  
1376 C6H6 Hexa-1,5-diene-3-yne hdy153  
1377 C6H6 Trimethylenecycopropane tmcp  
1378 C6H6+ Benzene cation c6h6+  
1379 C6H7+ benzene, protonated c6h7+  
1380 C6H8 (E)-hexa-1,3,5-triene c821078  
1381 C6H8 (E)-hexa-2,3,4-triene c59660650  
1382 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1383 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1384 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1385 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1386 C6H8 3-Methylenecyclopentene c930267  
1387 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1388 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1389 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1390 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1391 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1392 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1393 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1394 C6H10 1,5-Hexadiene c592427  
1395 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1396 C6H10 1-Hexyne hexyne1  
1397 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1398 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1399 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1400 C6H10 2-Hexyne c764352  
1401 C6H10 3-Hexyne hexyne3  
1402 C6H10 cyclohexene cyclohexene  
1403 C6H10 Cyclopentene, 1-methyl- c693890  
1404 C6H10 Cyclopentene, 3-methyl- c1120623  
1405 C6H10 Cyclopentene, 4-methyl- c1759815  
1406 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1407 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1408 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1409 C6H12 (E)-2-Hexene e2hexene  
1410 C6H12 (E)-3-methylpent-2-ene c616126  
1411 C6H12 (E)-hex-3-ene e3hexene  
1412 C6H12 (Z)-3-methylpent-2-ene c922623  
1413 C6H12 (Z)-hex-2-ene z2hexene  
1414 C6H12 (Z)-hex-3-ene z3hexene  
1415 C6H12 2,3-dimethylbut-1-ene c563780  
1416 C6H12 2,3-dimethyl-but-2-ene tmeet  
1417 C6H12 3-methylenepentane c760214  
1418 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1419 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1420 C6H12 Cyclohexane cyclohexane  
1421 C6H12 Cyclopentane, methyl- c96377  
1422 C6H12 Ethylcyclobutane c4806615  
1423 C6H12 hex-1-ene hexene1  
1424 C6H14 Butane, 2,2-dimethyl- buta22  
1425 C6H14 Butane, 2,3-dimethyl- buta23  
1426 C6H14 Hexane hexane  
1427 C6H14 Pentane, 2-methyl- penta2  
1428 C6H14 Pentane, 3-methyl- penta3  
1429 C4N2 2-Butynedinitrile c4n2  
1430 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1431 C4H2N2 Fumaronitrile c4h2n2  
1432 C2H2N4 sym-tetrazine ttz  
1433 C3H3N3 1,3,5-Triazine triazine135  
1434 CH3N5 5-Aminotetrazole c4418615  
1435 C4H4N2 1,3-Diazine diazine13  
1436 C4H4N2 Pyrazine pyrazine  
1437 C4H4N2 Pyridazine pyridazine  
1438 C4H4N2 Succinonitrile c110612  
1439 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1440 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1441 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1442 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1443 C5H5N E-2,4-pentadienenitrile bdcn  
1444 C5H5N Pyridine pyridine  
1445 B3N3H6 borazine borazine  
1446 C6H6 Fulvene fulvene  
1447 C5H6N+ Pyridinium c5h6n  
1448 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1449 C5H7N (E)-2-Pentenenitrile c26294984  
1450 C5H7N (E)-3-Pentenenitrile c16529661  
1451 C5H7N (Z)-2-Pentenenitrile c25899507  
1452 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1453 C5H7N Cyclobutanecarbonitrile c4426113  
1454 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1455 C5H9N Butanenitrile, 2-methyl- c18936179  
1456 C5H9N Pentanenitrile c110598  
1457 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1458 C6H10 Bicyclo[3.1.0]hexane c285585  
1459 C5H11N Cyclopentanamine cypentam  
1460 C5H11N Piperidine piper  
1461 C4H12N2 1,2-Butanediamine c4426486  
1462 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1463 Li2CO3 Lithium Carbonate li2co3  
1464 Na2CO3 Sodium Carbonate na2co3  
1465 C2O4-- oxalate anion c2o4  
1466 MgSO4 Magnesium Sulfate mgso4  
1467 N2O4 Dinitrogen tetroxide n2o4  
1468 C3H2O3 vinylene carbonate vica  
1469 C2H2O4 Oxalic Acid oxalic  
1470 C2H3NO3 Oxamic acid oxamic  
1471 C4H4O2 2(5H)-Furanone furanone  
1472 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1473 C2H4N2O2 Oxalamide oxalamide  
1474 C2H4N2S2 Ethanedithioamide c79403  
1475 C2H4CO3 Ethylene carbonate etco3  
1476 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1477 C3H4S3 1,3-Dithiolane-2-thione c822388  
1478 C2H4O4 Formic acid dimer fadimer  
1479 C4H5NO 3-Methylisoxazole isox3m  
1480 C4H5NO Isoxazole, 5-methyl- c5765446  
1481 C4H5NS 4-Methylthiazole c693958  
1482 C2H5NO3 Nitric acid, ethyl ester c625581  
1483 C5H6O 2H-Pyran pyran2  
1484 C5H6O 2-methylfuran furan2m  
1485 C5H6O 3-Methylfuran furan3m  
1486 C5H6O Pentadienal pdal  
1487 C5H6S Thiophene, 2-methyl- c554143  
1488 C5H6S Thiophene, 3-methyl- c616444  
1489 C4H6O2 γ–Butyrolactone c96480  
1490 C4H6O2 2,3-Butanedione c431038  
1491 C4H6O2 2-Propenoic acid, methyl ester c96333  
1492 C4H6O2 Crotonic Acid crot  
1493 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1494 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1495 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1496 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1497 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1498 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1499 C4H6OS Vinyl sulfoxide c1115157  
1500 CH6N4S Carbonothioic dihydrazide thiacarb  
1501 C2H6N2O2 (E)-Azodioxymethane c37765154  
1502 C2H6N2O2 Dimethylnitroamine c4164287  
1503 C3H6O3 1,3,5-Trioxane trioxane  
1504 C3H6S3 1,3,5-Trithiane c3h6s3  
1505 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1506 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1507 C4H7NO 2-Pyrrolidinone c616455  
1508 C4H7NO Ethoxyacetonitrile etoaccn  
1509 C4H7NO Methacrylamide c79390  
1510 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1511 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1512 C3H7ONO Propyl nitrite prono  
1513 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1514 CH3CH(NH2)COOH Alanine alanine  
1515 CH3NHCH2COOH Sarcosine sarcosine  
1516 NH2CH2CH2COOH β–alanine betaalanine  
1517 NH2COOC2H5 Urethane urethane  
1518 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1519 C5H8O Cyclopentanone c120923  
1520 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1521 C5H8O Methyl cyclopropyl ketone c765435  
1522 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1523 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1524 NH2CONHC2H5 Urea, ethyl- c625525  
1525 C4H8O2 1,3-Dioxane dioxan13  
1526 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1527 C4H8O2 1,4-Dioxane dioxan14  
1528 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1529 C4H8O2 Ethyl acetate c141786  
1530 C4H8OS s-Ethyl thioacetate c625605  
1531 C3H8O3 1,2,3-Propanetriol glycerin  
1532 C3H8O2S (Methylsulfonyl)ethane c594434  
1533 C4H9NO Butanamide c541355  
1534 C4H9NO Propanamide, 2-methyl- c563837  
1535 C5H10O 2-Butanone, 3-methyl- c563804  
1536 C5H10O 2H-Pyran, tetrahydro- c142687  
1537 C5H10O 2-methylbutyraldehyde 2meba  
1538 C5H10O 2-Pentanone mpk  
1539 C5H10O 3-Pentanone dek  
1540 C5H10O Cyclopentanol c96413  
1541 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1542 C5H10O Pentanal pal  
1543 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1544 C5H10S 3-Ethylthio-1-propene c5296628  
1545 C5H10S Cyclopentanethiol c1679078  
1546 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1547 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1548 C4H10O2 1,1-Dimethoxyethane c534156  
1549 C4H10O2 1,3-Butanediol budiol13  
1550 C4H10O2 1,4-Butanediol budiol14  
1551 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1552 C4H10OS Diethyl sulfoxide c70291  
1553 C4H10S2 1,4-Butanedithiol budisl14  
1554 C4H11NO Diethylhydroxylamine c3710847  
1555 C5H12O 1-Butanol, 2-methyl- c137326  
1556 C5H12O 1-Butanol, 3-methyl- c123513  
1557 C5H12O 1-Pentanol pentanol1  
1558 C5H12O 2-Butanol, 3-methyl- c598754  
1559 C5H12O 2-Pentanol peol2  
1560 C5H12O 3-Pentanol pentan3ol  
1561 C5H12O Butane, 1-methoxy- meobu  
1562 C5H12O Propane, 1-ethoxy- proet  
1563 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1564 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1565 C5H12S 1-Butanethiol, 3-methyl- c541311  
1566 C5H12S 1-Pentanethiol c110667  
1567 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1568 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1569 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1570 C5H12S Butane, 1-(methylthio)- c628295  
1571 C5H12S Ethyl propyl sulfide c4110503  
1572 C5H12S Propane, 2-(ethylthio)- c5145993  
1573 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1574 C4F2 difluorobutadiyne c4f2  
1575 ClCOClCO Oxalyl chloride oxcl  
1576 CF3CN Acetonitrile, trifluoro- cf3cn  
1577 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1578 B2F4 Diboron tetrafluoride b2f4  
1579 B2Cl4 Diboron tetrachloride b2cl4  
1580 C2F4 Tetrafluoroethylene c2f4  
1581 C2F4+ Tetrafluoroethylene cation c2f4+  
1582 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1583 CF2CCl2 difluorodichloroethylene cf2ccl2  
1584 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1585 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1586 C2FCl3 fluorotrichloroethene c2fcl3  
1587 C2Cl4 Tetrachloroethylene c2cl4  
1588 C2Br4 tetrabromoethene c2br4  
1589 CF3OF Trifluoromethylhypofluorite cf3of  
1590 SiF5- silicon pentafluoride anion sif5-  
1591 SOF4 Sulfur tetrafluoride oxide sof4  
1592 PF5 Phosphorus pentafluoride pf5  
1593 AsF5 Arsenic pentafluoride asf5  
1594 PCl5 Phosphorus pentachloride pcl5  
1595 SF5+ pentafluoro sulfur cation sf5+  
1596 SbCl5 Antimony pentachloride sbcl5  
1597 BrF5 bromine pentafluoride brf5  
1598 ClF5 chlorinepentafluoride clf5  
1599 IF5 pentafluoroiodine if5  
1600 CF3CHO trifluoroacetaldehyde cf3cho  
1601 CCl3CHO trichloroacetaldehyde ccl3cho  
1602 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1603 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1604 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1605 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1606 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1607 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1608 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1609 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1610 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1611 CF3COOH trifluoroacetic acid cf3cooh  
1612 C4H3ClO Furan, 2-chloro fur2cl  
1613 C4H3ClO Furan,3-chloro fur3cl  
1614 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1615 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1616 C4H8Cl2 1,4-Dichlorobutane c110565  
1617 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1618 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1619 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1620 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1621 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1622 C5H11Cl Pentane, 1-chloro- pencl1  
1623 C4H8O2 Butanoic acid bua  
1624 C6H5CH2 benzyl radical benzyl  
1625 C7H7+ cycloheptatrienyl cation c7h7+  
1626 C6H5CH3 toluene toluene  
1627 C7H8 cycloheptatriene cht  
1628 C7H8 Norbornadiene norbor  
1629 C7H8 Quadricyclane qucy  
1630 C7H12 Norbornane nor  
1631 C7H14 cycloheptane c7h14  
1632 C7H16 2-methylhexane 2mhex  
1633 C7H16 3-methylhexane hex3m  
1634 C7H16 heptane heptane  
1635 CH(CN)3 tricyanomethane mecn3  
1636 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1637 C6H7N 2-Methylpyridine mp  
1638 C6H5NH2 aniline aniline  
1639 C6H13N 2-Methylpiperidine pip2m  
1640 C6H13N cyclohexanamine cham  
1641 C6H15N triethylamine tea  
1642 N2O5 Dinitrogen pentoxide n2o5  
1643 C4H2O3 Maleic Anhydride malan  
1644 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1645 C5H4O2 furfural furfural  
1646 C6H5O phenoxy radical phenoxy  
1647 C5H5NO 2(1H)-Pyridinone c72762006  
1648 C5H5NO 2(3H)-Pyridinone c9000048  
1649 C5H5NO 2(5H)-Pyridinone c9000037  
1650 C5H5NO 2-Pyridinol c109104  
1651 C5H5NO 3(2H)-Pyridinone c9000004  
1652 C5H5NO 3(4H)-Pyridinone c9000026  
1653 C5H5NO 3(6H)-Pyridinone c9000015  
1654 C5H5NO 3-Pyridinol c109002  
1655 C5H5NO 4(1H)-Pryidinone c9000060  
1656 C5H5NO 4(3H)-Pryidinone c9000059  
1657 C5H5NO 4-Pyridinol c626642  
1658 C6H5OH phenol phenol  
1659 C6H6O 2,4-Cyclohexadienone c24599573  
1660 C6H6O 2,5-Cyclohexadienone c5664335  
1661 C6H5SH Benzenethiol phsh  
1662 HO2CCHNH2CH2OH Serine serine  
1663 C5H8O2 Acetylacetone acac  
1664 C4H8O2S Sulfolane sulfolane  
1665 C7H10 Norbornene norbornene  
1666 CH(C2H3)3 trivinyl methane tvm  
1667 C6H10O cyclohexanone chexo  
1668 C6H12O hexanal c6h12o  
1669 C6H12O Oxepane oxepane  
1670 C3H7OC3H7 di-n-propyl ether propr  
1671 F2CCCF2 tetrafluoroallene pfa  
1672 CF3COO- trifluoro acetate anion cf3coo-  
1673 CF3COF trifluoroacetyl fluoride cf3cof  
1674 CF3COCl trifluoroacetyl chloride cf3cocl  
1675 PF6- Hexafluorophosphate ion pf6-  
1676 SF6 Sulfur Hexafluoride sf6  
1677 SeF6 Selenium hexafluoride sef6  
1678 SF5Cl sulfur chloropentafluoride sf5cl  
1679 CF3CHF2 pentafluoroethane cf3chf2  
1680 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1681 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1682 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1683 CCl3CHCl2 pentachloroethane ccl3chcl2  
1684 C6H5F Fluorobenzene bzf  
1685 C6H5Cl chlorobenzene bzcl  
1686 C6H5Br bromobenzene bzbr  
1687 C8H6 Calicene calicene  
1688 C6H5CCH phenylacetylene phac  
1689 C8H6 benzocyclobutadiene bcbd  
1690 C8H6 Pentalene pentalene  
1691 C6H5CHCH2 Styrene styrene  
1692 C8H8 cubane cubane  
1693 C8H8 cyclooctatetraene cot  
1694 C6H5CH2CH3 Ethylbenzene etbz  
1695 CH3C6H4CH3 meta-xylene mxylene  
1696 CH3C6H4CH3 paraxylene pxylene  
1697 C8H14 Bicyclo[2.2.2]octane bico222  
1698 C8H16 cyclooctane cyclooct  
1699 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1700 C8H18 Octane c8h18  
1701 C6H5CN phenyl cyanide phcn  
1702 C6H12N2 Triethylenediamine ted  
1703 C4O4-- squarate dianion c4o4--  
1704 S4N4 Tetrasulfur tetranitride s4n4  
1705 S8 Octasulfur s8  
1706 C6H4O2 parabenzoquinone pbq  
1707 C4H4N2O2 Uracil uracil  
1708 C6H5CHO benzaldehyde benzal  
1709 C6H5OCH3 Anisole anisole  
1710 C5H9NO2 Proline proline  
1711 C6H12O2 Methyl pivalate c598981  
1712 C6H12O2 Hexanoic acid hexa  
1713 C4F4 tetrafluorcyclobutadiene c4f4  
1714 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1715 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1716 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1717 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1718 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1719 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1720 C2F6 hexafluoroethane c2f6  
1721 C2Cl6 hexachloroethane c2cl6  
1722 IF7 Iodine heptafluoride if7  
1723 C6H4F2 metadifluorobenzene mdfb  
1724 C6H4F2 orthodifluorobenzene odfb  
1725 C6H4F2 1,4-difluorobenzene pdfb  
1726 C6H4Cl2 1,2-dichlorobenzene dcb12  
1727 C6H4Cl2 1,3-dichlorobenzene dcb13  
1728 C6H4Cl2 1,4-dichlorobenzene dcb14  
1729 C6H5NO nitrosobenzene bzno  
1730 C9H8 Indene indene  
1731 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1732 C9H12 n-propyl benzene prbz  
1733 C9H20 Nonane nonane  
1734 C(CN)4 tetracyanomethane c5n4  
1735 C5H4N4 purine purine  
1736 C8H7N Indole indole  
1737 C3H3N3O3 cyanuric acid cyanuric  
1738 C6H5NO2 Nitrobenzene c6h5no2  
1739 C6H5COOH benzoic acid benzo  
1740 CH3COC6H5 acetophenone acph  
1741 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1742 C3F6 hexafluoropropene c3f6  
1743 C6H3F3 Benzene trifluoride 123 bzf3a  
1744 C8H18O 1-Octanol octanol  
1745 C10H8 Azulene azu  
1746 C10H8 naphthalene naph  
1747 C10H10 bullvalene bullv  
1748 C10H16 adamantane adamantane  
1749 C6N4 Tetracyanoethylene tcne  
1750 C6N4- tetracyanoethylene anion tcne-  
1751 C10H22 Decane decane  
1752 C4F6 perfluorobutadiene c4f6  
1753 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1754 C3F8 perfluoropropane c3f8  
1755 Fe(CO)5 Iron pentacarbonyl ipc  
1756 Fe(C5H5)2 ferrocene fecp2  
1757 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1758 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1759 C12H8 Acenaphthylene acenaph  
1760 C12H8 biphenylene biph  
1761 C12H10 biphenyl biphenyl  
1762 C12H10 Heptalene heptalene  
1763 C6H12O6 Inositol inositol  
1764 C6F6 hexafluorobenzene c6f6  
1765 S2F10 disulphur decafluoride s2f10  
1766 C13H10 Fluorene fluorene  
1767 C14H10 Anthracene anth  
1768 C14H10 Phenanthrene phenanthrene  
1769 C14H14 Bibenzyl bibenzyl  
1770 C12H10N2 azobenzene azobenzene  
1771 C6H5COC6H5 benzophenone benzophenone  
1772 C16H10 Pyrene pyrene  
1773 C18H12 Tetracene tetracene  
1774 C19H16 Triphenylmethane tpm  
1775 C24H12 Coronene coronene  
1776 C60 Buckminsterfullerene c60