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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 /6-311G**

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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 2SKh
18 Cu- Copper atom anion 1SKh
19 Cu+ Copper atom cation 1SKh
20 LiH+ lithium hydride cation 2ΣC∞v
21 NaH+ sodium hydride cation 2ΣC∞v
22 KH Potassium hydride 1ΣC∞v
23 KH+ Potassium hydrogen cation 2ΣC∞v
24 CuH Copper monohydride 1ΣC∞v
25 Be+ Beryllium atom cation 2SKh
26 Mg- Magnesium atom anion 2PKh
27 Mg+ Magnesium atom cation 2SKh
28 Ca- Calcium atom anion 2DKh
29 Ca+ Calcium atom cation 2SKh
30 BeH beryllium monohydride 2ΣC∞v
31 MgH magnesium monohydride 2ΣC∞v
32 CaH Calcium monohydride 2ΣC∞v
33 TiH Titanium monohydride 4ΦC∞v
34 ZnH Zinc monohydride 2ΣC∞v
35 BeH2+ Beryllium dihydride cation 2ΣC∞v
36 BeH2+ Beryllium dihydride cation 2ΣuD∞h
37 BeH2+ Beryllium dihydride cation   
38 B Boron atom 2PKh
39 B Boron atom 4PKh
40 B+ Boron atom cation 1SKh
41 Al Aluminum atom 2PKh
42 Al- Aluminum atom anion 3PKh
43 Al+ Aluminum atom cation 1SKh
44 Sc Scandium atom 2DKh
45 Sc+ Scandium cation 3DKh
46 Ga Gallium atom 2P 
47 Ga- Gallium atom anion 3POh
48 Ga+ Gallium atom cation 1S 
49 BH Boron monohydride 3ΠC∞v
50 BH- boron monohydride anion 4ΣC∞v
51 ScH+ Scandium monohydride cation 2ΣC∞v
52 GaH+ Gallium monohydride cation 2ΣC∞v
53 BH2- boron dihydride anion 3B1C2v
54 AlH2- aluminum dihydride anion 1A1C2v
55 AlH2+ aluminum dihydride cation 1ΣgD∞h
56 BH3+ boron trihydride cation 2E'D3h
57 BH3+ boron trihydride cation 2B2C2v
58 BH3+ boron trihydride cation  C2v
59 AlH3- aluminum trihydride anion 2A2"D3h
60 AlH3- aluminum trihydride anion  C3v
61 AlH3+ aluminum trihydride cation 2ED3h
62 AlH3+ aluminum trihydride cation 2A1C2v
63 BH4 borohydride 2B2C2v
64 BH4- borohydride anion 1A1Td
65 C Carbon atom 3P0Kh
66 C- Carbon atom anion 2DKh
67 C+ Carbon atom cation 2PKh
68 Si Silicon atom 3PKh
69 Si- Silicon atom anion 4SKh
70 Si+ Silicon atom cation 2PKh
71 Ge Germanium atom 3PKh
72 Ge- Germanium anion 4SKh
73 Ge+ Germanium cation 2PKh
74 CH Methylidyne 2Π1/2C∞v
75 SiH Silylidyne 2ΠC∞v
76 SiH- silicon monohydride anion 3ΣC∞v
77 GeH germylidene 2ΠC∞v
78 CH2 Methylene 3B1C2v
79 CH2 Methylene 3ΣGD∞h
80 CH2- methylene anion 2B1C2v
81 CH2+ methylene cation 2A1C2v
82 CH2+ methylene cation 2ΠD∞h
83 SiH2 silicon dihydride 3B1C2v
84 SiH2- silicon dihydride anion 2B1C2v
85 SiH2+ silicon dihydride cation 2A1C2v
86 GeH2 germylene 1A1C2v
87 GeH2- germylene anion 2B1C2v
88 CH3 Methyl radical 2A1D3h
89 CH3- methyl anion 1A1C3v
90 CH3+ methyl cation 1A1'D3h
91 SiH3 Silyl radical 2A1C3v
92 SiH3- Silyl anion 1A1C3v
93 SiH3+ Silyl cation 1A1'D3h
94 GeH3 Germyl radical 2A1C3v
95 GeH3+ germyl cation 1A1'D3h
96 N Nitrogen atom 4SKh
97 N Nitrogen atom 2DKh
98 N- Nitrogen atom anion 3SKh
99 N+ Nitrogen atom cation 3PKh
100 P Phosphorus atom 4SKh
101 P- Phosphorus atom anion 3PKh
102 P+ Phosphorus atom cation 3PKh
103 V Vanadium atom 4FKh
104 V+ Vanadium atom cation 5DKh
105 As Arsenic atomic 4SKh
106 As- Arsenic anion 3PKh
107 As+ Arsenic cation 3PKh
108 PH phosphorus monohydride 3Σ-C∞v
109 AsH Arsenic monohydride 3ΣC∞v
110 AsH+ Arsenic monohydride cation 2ΠC∞v
111 NH2 Amino radical 2B1C2v
112 NH2+ Amino cation 3B1C2v
113 PH2- Phosphino anion 1A1C2v
114 PH2+ Phosphino cation 1A1C2v
115 AsH2 Arsenic dihydride 2A1C2v
116 NH3- Ammonia anion 2A1C3v
117 NH3+ ammonia cation 2A2"D3h
118 PH3+ Phosphine cation 2A1C3v
119 AsH3+ Arsine cation 2A1C3v
120 NH4 Ammonium radical   
121 PH4 Phosphoranyl radical   
122 O Oxygen atom 3SKh
123 O- Oxygen atom anion 2PKh
124 O+ Oxygen atom cation 4SKh
125 S Sulfur atom 3PKh
126 S- Sulfur atom anion 2PKh
127 S+ Sulfur atom cation 4SKh
128 Se Selenium atom 3PKh
129 Se- Selenium atom anion 2PKh
130 Se+ Selenium atom cation 4SKh
131 OH Hydroxyl radical 2ΠC∞v
132 OH+ hydoxyl cation 3ΣC∞v
133 HS Mercapto radical 2ΠC∞v
134 HS- mercapto anion 1ΣC∞v
135 HS+ sulfur monohydride cation 3ΣC∞v
136 CrH Chromium hydride 6ΣC∞v
137 CrH+ Chromium hydride cation 5ΣC∞v
138 HSe Selenium monohydride 2ΠC∞v
139 HSe+ selenium monohydride cation 3ΣC∞v
140 H2O- water anion 2A1C2v
141 H2O- water anion 2A'Cs
142 H2O+ water cation 2B1C2v
143 H2S- Hydrogen sulfide anion 2A'Cs
144 H2S+ Hydrogen sulfide cation 2B1C2v
145 H2Se Hydrogen selenide 1A1C2v
146 H2Se+ Hydrogen selenide cation 2B1C2v
147 H3S+ Sulfonium cation 1A1C3v
148 F Fluorine atom 2PKh
149 F- Fluorine atom anion 1SKh
150 F+ Fluorine atom cation 3SKh
151 F+ Fluorine atom cation 1DKh
152 Cl Chlorine atom 2PKh
153 Cl- Chlorine atom anion 1SKh
154 Cl+ Chlorine atom cation 3PKh
155 Cl+ Chlorine atom cation 1DKh
156 Br Bromine atom 2PKh
157 Br- Bromine atom anion 1SKh
158 Br+ Bromine atom cation 3PKh
159 HF- hydrogen fluoride anion 2ΣC∞v
160 HF+ hydrogen fluoride cation 2ΠC∞v
161 HCl- hydrogen chloride anion 2ΣC∞v
162 HCl+ hydrogen chloride cation 2ΠC∞v
163 HBr hydrogen bromide 1ΣC∞v
164 HBr- hydrogen bromide anion 2ΣC∞v
165 HBr+ hydrogen bromide cation 2ΠC∞v
166 H2Cl+ dihydrogen monochloride cation 1A1C2v
167 Ne Neon atom   
168 Ne- Neon atom anion 2SKh
169 Ne+ Neon atom cation 2PKh
170 Ar- Argon atom anion 2SKh
171 Ar+ Argon atom cation 2PKh
172 Kr+ Krypton cation 2PKh
173 NeH neon hydrogen 2ΣC∞v
174 ArH+ Argon hydride cation 1ΣC∞v
175 Na2- sodium diatomic anion 2ΣuD∞h
176 Na2+ sodium diatomic cation 2ΣgD∞h
177 NaK+ Sodium Potassium diatomic cation 1
178 LiBe Lithium Beryllium 2ΣC∞v
179 LiMg Lithium magnesium 2ΣC∞v
180 NaBe Sodium Beryllium 2ΣC∞v
181 NaMg Sodium Magnesium 2ΣC∞v
182 Be2 Beryllium diatomic 3ΠgD∞h
183 Be2- Beryllium diatomic anion 2ΠuD∞h
184 LiB Lithium boride 3ΠC∞v
185 BeB Beryllium monoboride 2ΠC∞v
186 B2 Boron diatomic 3ΣgD∞h
187 B2 Boron diatomic 5ΣuD∞h
188 B2+ Boron diatomic cation 2ΠD∞h
189 BAl Boron Aluminum 3ΣC∞v
190 BGa Boron Gallium 3ΣC∞v
191 AlGa Aluminum Gallium 3ΣC∞v
192 Ga2 Gallium diatomic 3Piu 
193 HBBH Diborane(2) 3ΣGD∞h
194 B2H6+ Diborane cation   
195 LiC Lithium Carbide 4ΣC∞v
196 BeC Beryllium Carbide 3Σ-C∞v
197 BeC Beryllium Carbide   
198 CaC Calcium monocarbide   
199 BC boron monocarbide 4Σ-C∞v
200 BC- boron monocarbide anion 3ΠuC∞v
201 AlC Aluminum carbide 4ΣC∞v
202 BSi Boron silicide 4ΣC∞v
203 BSi Boron silicide 2ΣC∞v
204 C2 Carbon diatomic 3ΠuD∞h
205 C2+ carbon diatomic cation 4ΣgD∞h
206 SiC silicon monocarbide 3ΣC∞v
207 SiC- silicon monocarbide anion 2ΣgC∞v
208 SiC+ silicon monocarbide cation 2ΠC∞v
209 Si2 Silicon diatomic 3ΣgD∞h
210 GeC Germanium monocarbide 1ΣC∞v
211 SiGe Silicon Germanium   
212 Ge2 Germanium diatomic 3ΣgD∞h
213 Ge2 Germanium diatomic 1ΣGD∞h
214 C2H Ethynyl radical 2ΣC∞v
215 ZnCH2 Zinc methylene 3B1C2v
216 ZnCH2 Zinc methylene 1A'Cs
217 C2H2+ acetylene cation 2ΠuD∞h
218 C2H2+ acetylene cation   
219 CCH2 vinylidene 1A1C2v
220 CCH2 vinylidene 3B2C2v
221 H2CC- vinylidene anion   
222 HCCH- acetylene anion   
223 HCCH- acetylene anion   
224 CH3Li methyl lithium 1A1C3v
225 ZnCH3 Zinc monomethyl 2A1C3v
226 C2H3 vinyl 2A'Cs
227 C2H3+ vinyl cation 1A1C2V bridging H
228 C2H4- Ethylene anion 2B2gD2h
229 C2H4- Ethylene anion 2AgC2h
230 C2H4+ Ethylene cation 2B3uD2h
231 C2H4+ Ethylene cation 2B3D2
232 CH3CH methylmethylene 3A"Cs
233 C2H5 Ethyl radical 2A'Cs
234 C2H6+ ethane cation 2BgC2h
235 C2H6+ ethane cation 2AgCi
236 LiN Lithium Nitride 3ΣC∞v
237 LiN+ Lithium Nitride cation 4ΣC∞v
238 LiP Lithium monophosphide   
239 BeN Beryllium mononitride 4ΣC∞v
240 BeN Beryllium mononitride 2ΠC∞v
241 BeN- Beryllium mononitride anion 1ΣC∞v
242 BeN+ Beryllium mononitride cation 1ΣC∞v
243 MgN Magnesium Nitride   
244 MgN Magnesium Nitride   
245 BP Boron monophosphide 3ΠC∞v
246 AlP Aluminum monophosphide 3ΣC∞v
247 AlP Aluminum monophosphide 3ΠC∞v
248 GaN Gallium mononitride 3ΠC∞v
249 GaP Gallium monophosphide 3ΣC∞v
250 GaAs Gallium arsenide 3Π 
251 GaAs Gallium arsenide 1Σ 
252 BN boron nitride 3ΠC∞v
253 AlN Aluminum nitride 3ΠiC∞v
254 CN Cyano radical 2ΣC∞v
255 SiP Silicon monophosphide 2ΠC∞v
256 SiP- Silicon monophosphide anion 1ΣC∞v
257 SiP+ Silicon monophosphide cation 3ΣC∞v
258 N2 Nitrogen diatomic   
259 N2- nitrogen diatomic anion 2ΠgD∞h
260 N2+ diatomic nitrogen cation 2ΣgD∞h
261 HNB hydrogen nitrogen boron 2ΣC∞v
262 HCN+ hydrogen cyanide cation 2ΠC∞v
263 HNC+ hydrogen isocyanide cation   
264 HCP+ Phosphaethyne cation   
265 HPO+ Hydrogen phosphorus oxide cation 2A'Cs
266 CNH2 Aminomethylidyne radical 2B2C2v
267 H2CN Dihydrogen cyanide radical 2B2C2v
268 H2CN+ hydrocyanonium cation 1A1C2v
269 HCNH methyleneazane 2A'CS cis
270 HCNH methyleneazane 2A'CS trans
271 N2H2+ trans-diazene cation 2AGC2h
272 CH2NH+ Methanimine cation   
273 CHNH2+ Aminocarbene cation   
274 N2H4+ hydrazine cation 2AGC2h
275 CH3NH2+ methyl amine cation 2A'Cs
276 CH3NH3 methyl ammonium radical 2A1C3v
277 LiO lithium oxide 2ΣC∞v
278 LiO- lithium oxide anion 1ΣC∞v
279 LiO- lithium oxide anion 3ΣC∞v
280 LiO+ lithium oxide cation 3ΣC∞v
281 LiS Lithium monosulfide 2ΠC∞v
282 LiS+ Lithium sulfide cation 3ΣC∞v
283 NaO sodium monoxide 2ΣC∞v
284 KO Potassium monoxide 2ΣC∞v
285 KO+ Potassium monoxide cation 3ΣC∞v
286 NaS Sodium sulfide 2ΠC∞v
287 LiSe Lithium monoselenide   
288 BeO- Beryllium monoxide anion 2ΣC∞v
289 BeO+ Beryllium monoxide cation 2ΠC∞v
290 BO boron monoxide 2ΣC∞v
291 BO- boron monoxide anion 1ΣC∞v
292 ScO Scandium monoxide 2ΣC∞v
293 GaO Gallium monoxide 2ΣC∞v
294 GaS Gallium monosulfide   
295 CO Carbon monoxide 3ΠC∞v
296 CO- carbon monoxide anion 2ΠC∞v
297 CO+ carbon monoxide cation 2ΣC∞v
298 TiO Titanium monoxide 3ΔC∞v
299 GeO+ Germanium monoxide cation 2ΣC∞v
300 SiSe+ Silicon Monoselenide cation   
301 NO Nitric oxide 2ΠC∞v
302 NO- nitric oxide anion 3ΣC∞v
303 NS Mononitrogen monosulfide 2ΠC∞v
304 NS- nitrogen sulfide anion 3ΣC∞v
305 PO Phosphorus monoxide 2ΠC∞v
306 PS phosphorus sulfide 2ΣC∞v
307 VO Vanadium monoxide 4Σ- 
308 AsO Arsenic monoxide 2ΠC∞v
309 NSe Nitrogen monoselenide 2ΠC∞v
310 AsS Arsenic monosulfide 2ΠC∞v
311 PSe Phosphorus monoselenide 2ΠC∞v
312 AsSe Arsenic monoselenide 2ΠC∞v
313 O2 Oxygen diatomic 3ΣgD∞h
314 O2- oxygen diatomic anion 2ΠD∞h
315 O2+ diatomic oxygen cation 2ΠgD∞h
316 SO Sulfur monoxide 3ΣC∞v
317 SO Sulfur monoxide 1ΣC∞v
318 SO+ sulfur monoxide cation 2ΠC∞v
319 S2 Sulfur diatomic 3ΣgD∞h
320 SeO Selenium monoxide 3ΣC∞v
321 Se2 Selenium diatomic 3ΣgD∞h
322 BeOH beryllium monohydroxide 2A'Cs
323 COH Hydroxymethylidyne   
324 HCO Formyl radical 2A'Cs
325 HCO- formyl anion 1A'Cs
326 HCO+ Formyl cation 1ΣC∞v
327 HCS+ Thioformyl cation 1ΣC∞v
328 HNO Nitrosyl hydride 1A'Cs
329 HNO- Nitrosyl hydride anion 2A"Cs
330 HNO+ Nitrosyl hydride cation 2A'Cs
331 NOH Hydroxyimidogen 3A"Cs
332 NOH+ O-protonated nitric oxide 2A'Cs
333 HNS- Sulfur imide anion 2ACs
334 HO2 Hydroperoxy radical 2A"Cs
335 HO2- Hydroperoxy anion 1A'Cs
336 HO2+ Hydroperoxy cation 3A"Cs
337 HO2+ Hydroperoxy cation 1A'Cs
338 SOH Sulfur Hydroxide   
339 SOH+ Sulfur Monoxide, protonated   
340 HS2 Thiosulfeno radical 2A"Cs
341 H2CO- formaldehyde anion 2A'Cs
342 H2CO- formaldehyde anion   
343 H2CO+ formaldehyde cation 2B2C2v
344 H2CS- thioformaldehyde anion   
345 H2CS- thioformaldehyde anion   
346 H2CS+ thioformaldehyde cation 2B2C2v
347 H2NO nitroxide 2B1C2v
348 H2NO nitroxide 2A'Cs
349 H2O2+ Hydrogen peroxide cation 2BgC2h
350 H2O2+ Hydrogen peroxide cation 2A1C2v
351 H2S2+ hydrogen disulfide cation 2BgC2h
352 CH2OH Hydroxymethyl radical 2AC1
353 CH3O+ Methoxy cation 3A1C3v
354 NH2OH+ Hydroxylamine cation   
355 CH3OH- Methyl alcohol anion 2A'Cs
356 CH3OH- Methyl alcohol anion 2A'CS eclipsed
357 CH3OH+ Methyl alcohol cation 2A"Cs
358 CH3OH+ Methyl alcohol cation 2AC1
359 CH3SH+ Methanethiol cation 2A"Cs
360 NH2OH2+ protonated hydroxylamine   
361 NH3OH+ N-protonated hydroxylamine   
362 NaF+ sodium fluoride cation 2ΣC∞v
363 LiF- lithium fluoride anion 2ΣC∞v
364 LiF+ lithium fluoride cation 2ΠC∞v
365 BeF- Beryllium monofluoride anion 1ΣC∞v
366 BeF+ Beryllium monofluoride cation 1ΣC∞v
367 MgF Magnesium monofluoride 2ΣC∞v
368 CaCl calcium monochloride 2ΣC∞v
369 TiCl Titanium Monochloride 4ΣC∞v
370 ZnF Zinc monofluoride 2ΣC∞v
371 ZnCl Zinc monochloride 2ΣC∞v
372 CaBr Calcium monobromide   
373 GaF Gallium monofluoride 1ΣC∞v
374 GaF+ Gallium monofluoride cation 2ΣC∞v
375 GaCl Gallium monochloride 1ΣGC∞v
376 GaCl+ Gallium monochloride cation 2ΣC∞v
377 CF Fluoromethylidyne 2ΠC∞v
378 CF- carbon monofluoride anion 3ΣC∞v
379 SiF silicon monofluoride 2ΠC∞v
380 SiF- silicon monofluoride anion 3ΣC∞v
381 SiCl Clorosilylidyne 2ΠC∞v
382 CBr Carbon monobromide 2ΠC∞v
383 GeF Germanium monofluoride 2ΠC∞v
384 GeCl Germanium monochloride 2ΠC∞v
385 SiBr Silicon monobromide 2ΠC∞v
386 SiBr+ Silicon monobromide cation   
387 NCl nitrogen monochloride 3ΣC∞v
388 NCl- nitrogen monochloride anion 2ΠC∞v
389 NCl+ nitrogen monochloride cation 2ΠC∞v
390 AsF Arsenic monofluoride 3ΣC∞v
391 NBr nitrogen monobromide 3Σ-C∞v
392 AsCl Arsenic monochloride 3ΣC∞v
393 PBr Phosphorus monobromide   
394 FO Oxygen monofluoride 2ΠC∞v
395 ClO Monochlorine monoxide 2ΠC∞v
396 ClO+ chlorine monoxide cation 3ΣC∞v
397 SF Monosulfur monofluoride 2ΠC∞v
398 SF+ sulfur monofluoride cation 3ΣC∞v
399 SCl sulfur monochloride 2ΠC∞v
400 SCl+ sulfur monochloride cation 3ΣgC∞v
401 BrO Bromine monoxide 2ΠC∞v
402 BrO+ Bromine monoxide cation   
403 SeF Selenium monofluoride 2ΠC∞v
404 SBr Sulfur monobromide radical   
405 SBr+ Sulfur monobromide cation   
406 SeCl Selenium monochloride 2ΠC∞v
407 SeBr Selenium monobromide   
408 F2- flourine diatomic anion 2ΣuD∞h
409 F2+ flourine diatomic cation 2ΠgD∞h
410 ClF Chlorine monofluoride 1Σ+C∞v
411 ClF+ clorine monofluoride cation 2ΠC∞v
412 Cl2- chlorine diatomic anion 2ΣuD∞h
413 Cl2+ chlorine diatomic cation 2ΠgD∞h
414 Br2- bromine diatomic anion 2ΣuD∞h
415 Br2+ bromine diatomic cation 2ΠgD∞h
416 HCF Fluoromethylene 3A"Cs
417 HCCl Chloromethylene 3A"Cs
418 CHBr bromomethylene 3A"Cs
419 HOCl+ hypochlorous acid cation   
420 HOBr+ Hypobromous acid cation 2A"Cs
421 FHF- Hydrogen difluoride anion 1ΣgD∞h
422 CH2Br bromomethyl radical 2A'Cs
423 CH2Br bromomethyl radical   
424 CH2F fluoromethyl radical 2ACs
425 CH2Cl chloromethyl radical 2A'Cs
426 CH2Cl chloromethyl radical 2B1C2v
427 CH3F+ methyl fluoride cation   
428 CH3Cl+ Methyl chloride cation   
429 CH3Br methyl bromide 1A1C3v
430 Ne2+ Neon diatomic cation 2ΣuD∞h
431 Ar2+ Argon diatomic cation 2ΣuD∞h
432 Li3 Lithium trimer 2B2C2v
433 C3 carbon trimer 1A1C2v
434 C3+ carbon trimer cation 2ΣuD∞h
435 C3H3 cyclopropenyl radical 2A'Cs
436 C3H3- Propargyl anion 1A'Cs
437 C3H3+ Propargyl cation 1A1C2v
438 C3H5 Allyl radical 2A2C2v
439 C3H5 Allyl radical 2A"Cs
440 CH3CHCH 1-propenyl radical 2A'Cs
441 C3H7 n-Propyl radical 2A"C1
442 CH3CHCH3 Isopropyl radical 2AC2
443 LiCN lithium cyanide 1ΣC*V LiCN
444 ZnCN Zinc monocyanide 2ΣC∞v
445 ZnNC Zinc isocyanide 2ΣC∞v
446 CNN Diazocarbene   
447 NCN Cyanoimidogen 3ΣgD∞h
448 N3 azide radical 2ΠgD∞h
449 N3+ azide cation 3ΣgD∞h
450 N3+ azide cation 3ΣC∞v
451 HCCN cyanomethylene 3A"Cs
452 HCCN cyanomethylene 3ΣC∞v
453 HCCN cyanomethylene   
454 HN3 hydrogen azide 1A'Cs
455 HN3+ Hydrazoic acid cation   
456 CH3CN- acetonitrile anion 2EC3v
457 CH3CN- acetonitrile anion 2A'Cs
458 CH3CN+ Acetonitrile cation 2A"Cs
459 HCNCH2+ 2H-Azirine cation   
460 CH2CHNH vinylazine 2A"CS cis
461 CH2CHNH vinylazine 2A"CS trans
462 CH3CHN methylmethaniminyl radical 2A'Cs
463 Li2O+ dilithium oxide cation 2ΠD∞h
464 LiO2 Lithium dioxide   
465 NaO2 Sodium superoxide   
466 CCO Dicarbon monoxide 3ΣC∞v
467 NCO isocyanato radical 2ΠC∞v
468 SCN thiocyanato radical 2ΠC∞v
469 BO2+ Boron dioxide cation 3ΣgD∞h
470 N2O- Nitrous oxide anion 2A'Cs
471 N2O+ Nitrous oxide cation 2ΠC∞v
472 CO2- Carbon dioxide anion 2A1C2v
473 CO2+ Carbon dioxide cation 2ΠgD∞h
474 CO2+ Carbon dioxide cation 2ΠC∞v
475 OCS+ Carbonyl sulfide cation 2ΠC∞v
476 CS2- Carbon disulfide anion 2A1C2v
477 CS2+ Carbon disulfide cation 2ΠD∞h
478 NO2 Nitrogen dioxide 2A1C2v
479 NO2- Nitrogen dioxide anion 1A1C2v
480 NO2+ Nitrogen dioxide cation 1ΣGD∞h
481 NSO sulfinyl amidogen   
482 PO2 Phosphorus dioxide 2A1C2v
483 PO2+ Phosphorus dioxide cation 1ΣGD∞h
484 SNO Nitrogen oxide sulfide   
485 AsO2 Aresenic dioxide 2A1C2v
486 O3- Ozone anion 2B1C2v
487 O3+ Ozone cation 2A1C2v
488 SO2 Sulfur dioxide 1A1C2v
489 SO2- Sulfur dioxide anion 2B1C2v
490 SO2+ Sulfur dioxide cation 2A1C2v
491 S3- Sulfur trimer anion 2B1C2v
492 S3+ Sulfur trimer cation 2B2C2v
493 SeO2+ Selenium dioxide cation 2A1C2v
494 HCCO ketenyl radical 2ΠC∞v
495 HCCO ketenyl radical 2A"Cs
496 HCOO formate neutral radical 2A'Cs
497 HOCO Hydrocarboxyl radical 1A'cis
498 HOCO Hydrocarboxyl radical 1A'trans
499 HOCO+ Hydrocarboxyl cation 1A'Cs
500 HNO2+ nitrous acid cation 2A'Cs
501 CH2CO+ Ketene cation 2B1C2v
502 CH2CHO Vinyloxy radical 2A"Cs
503 CH2OOH CH2OOH radical 2AC1
504 CH3OO methylperoxy radical 2A"Cs
505 CH3OO+ methylperoxy cation 1A'Cs
506 C2H4O+ ethylene oxide cation   
507 CH3CHO+ acetaldehyde cation   
508 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
509 CH2CH2OH 2-hydroxy ethyl radical 2A'Cs
510 CH2CH2OH 2-hydroxy ethyl radical 2AC1
511 CH3CH2O Ethoxy radical 2A'Cs
512 CH3CHOH 1-hydroxy-ethyl radical 2AC1
513 CH3OCH2 methoxymethyl radical 2AC1
514 CH3CH2SH ethanethiol 1A'Cs
515 CH3SCH3+ dimethyl sulfide cation   
516 CuF2 Copper difluoride 2ΠgD∞h
517 ZnF2 Zinc difluoride 1ΣGD∞h
518 FCO Carbonyl fluoride 2A'Cs
519 ClCO carbonyl monochloride 2ΣC∞v
520 BF2 Boron difluoride radical 2A1C2v
521 BrNO Nitrosyl bromide 1A'Cs
522 CF2 Difluoromethylene 3B1C2v
523 CF2- Difluoromethylene anion 2B1C2v
524 CF2+ Difluoromethylene cation 2A1C2v
525 SiF2 Silicon difluoride 1A1C2v
526 SiF2 Silicon difluoride 3B1C2v
527 SiF2+ Silicon difluoride cation 2A1C2v
528 CCl2- dichloromethylene anion 2B1C2v
529 CCl2+ dichloromethylene cation 2A1C2v
530 CBr2 dibromomethylene 3B1C2v
531 FOO+ Fluorine dioxide cation   
532 ClOO+ chloroperoxy cation 1A'Cs
533 OClO Chlorine dioxide 2B1D∞h
534 OClO- Chlorine dioxide anion 1A'Cs
535 OClO+ Chlorine dioxide cation 1A1C2v
536 ClSO Sulfur chloride oxide 2A"Cs
537 BrOO Bromine dioxide   
538 OBrO Bromine dioxide radical 2B1C2v
539 NF2+ Difluoroamino cation 1A1C2v
540 PF2 Phosphorus difluoride   
541 SF2- sulfur difluoride anion 2A'Cs
542 SF2- sulfur difluoride anion 2ΠD∞h
543 SF2+ sulfur difluoride cation 2B1C2v
544 BrOCl Bromine hypochlorite 1A'Cs
545 BrOBr Bromine oxide 1A1C2v
546 HCCF+ fluoroacetylene cation 2ΠC∞v
547 HFCO+ formyl fluoride cation 2A'Cs
548 COHCl Formyl chloride 1A'Cs
549 COHBr Formyl bromide 1A'Cs
550 CHCl2 dichloromethyl radical 2B1C2v
551 CHCl2 dichloromethyl radical 2A'Cs
552 CHF2 difluoromethyl radical 2ACs
553 CHFCl Chlorofluoromethyl radical   
554 CHBr2 dibromomethyl radical   
555 CH2CHF Ethene, fluoro- 1A'Cs
556 CH3OCl methyl hypochlorite 1A'Cs
557 CH2CH2Cl 2-chloroethyl radical 2A'Cs
558 CHClCH3 1-chloroethyl radical 2AC1
559 C4 Carbon tetramer 3ΣgD∞h
560 C4H2+ diacetlyene cation 2ΠgD∞h
561 CH3CHCHCH2 methylallyl radical 2A"Cs
562 C2N2+ Cyanogen cation 2ΠgD∞h
563 HCCCN+ Cyanoacetylene cation 2ΠC∞v
564 C3H3N+ acrylonitrile cation 2A"Cs
565 NH2CCNH2 Diaminoacetylene 1A1D2d
566 NO3+ nitrogen trioxide cation 1A1C2v
567 NO3+ nitrogen trioxide cation 1A1'D3h
568 SO3- Sulfur trioxide anion 2A1pyramidal
569 SO3- Sulfur trioxide anion 2A2"planar
570 SO3+ Sulfur trioxide cation 2A2'D3h
571 HSO3 Hydroxysulfonyl radical 2AC1
572 C2H2O2 Ethanedial 1AgC2h
573 CH3COCH2 Acetonyl radical 2A"Cs
574 C2H5OO ethylperoxy radical 2A'Cs
575 CH3COCH3- acetone anion 2A'Cs
576 C2Cl2+ dichloroacetylene cation 2ΠUD∞h
577 BrONO Bromine nitrite 1A'CS trans
578 CF2O+ Carbonic difluoride cation   
579 COFCl Carbonic chloride fluoride 1A'Cs
580 COBr2 Carbonic dibromide 1A1C2v
581 BF3- Borane, trifluoro- anion 2A1D3h
582 BF3- Borane, trifluoro- anion 2A1C3v
583 BF3+ boron trifluoride cation 2A2'D3h
584 BF3+ boron trifluoride cation 2B2C2v
585 BF3+ boron trifluoride cation   
586 BCl3+ Boron Trichloride cation   
587 CF3- Trifluoromethyl anion 1A1C3v
588 CF3+ Trifluoromethyl cation 1A1'D3h
589 CF2Cl difluorochloromethyl radical   
590 SiF3 Silicon trifluoride radical 2A1C3v
591 SiF3+ Silicon trifluoride cation 1A1'D3h
592 CFCl2 dichlorofluoromethyl radical   
593 CCl3- Trichloromethyl anion 1A1C3v
594 CCl3+ Trichloromethyl cation 1A1'D3h
595 CBr3 tribromomethyl radical   
596 NF3 Nitrogen trifluoride 1A1C3v
597 NF3- Nitrogen trifluoride anion 2A1C3v
598 NF3- Nitrogen trifluoride anion 2ACs
599 NF3+ Nitrogen trifluoride cation 2A1C3v
600 SF3 Sulfur trifluoride 2A'Cs
601 CHBrF2 Methane, bromodifluoro- 1A'Cs
602 CHBrCl2 Methane, bromodichloro- 1A'Cs
603 CHClBr2 Methane, dibromochloro- 1A'Cs
604 CH2ClCHO chloroacetaldehyde 1AC1 bisecting, trans
605 CH2BrCH2Br Ethane, 1,2-dibromo- 1AgC2h
606 CH3CH2CH2Br n-propyl bromide 1A'Cs
607 CH3CHBrCH3 i-propyl bromide 1A'Cs
608 C5H5 cyclopentadienyl radical 2B1C2v
609 C5H7 cyclopentenyl radical 2A2C2v
610 C3H3N2 imidazolyl radical 2B1C2v
611 C4H4N pyrrolide radical 2A2C2v
612 C3O2+ Carbon suboxide cation 2ΠUD∞h
613 CBrClF2 Methane, bromochlorodifluoro- 1A'Cs
614 CBr4 Carbon tetrabromide 1A1Td
615 C2HF3+ Trifluoroethylene cation 2A"Cs
616 CHCl2CHO dichloroacetaldehyde 1AC1
617 CH3CF2Cl 1-Chloro-1,1-Difluoroethane 1A'Cs
618 SF5 Sulfur pentafluoride 2A1C4v
619 CF3CHO trifluoroacetaldehyde 1A'Cs
620 CCl3CHO trichloroacetaldehyde 1A'Cs
621 CF3CH2Cl 2,2,2-Trifluoroethyl chloride 1A'Cs
622 C6H5CH2 benzyl radical 2B1Cs
623 C7H7 cycloheptatrienyl radical 2A2C2v
624 C6H13N cyclohexanamine 1AC1
625 C6H5O phenoxy radical 2B1C2v
626 PF6 Hexafluorophosphate neutral 2B2C2v
627 C6H12O2 Methyl pivalate 1AC1
628 CF3CF2Cl pentafluorochloroethane 1A'Cs
629 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane 1AgC2h

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