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List of which calculations are completed at ROHF /3-21G

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count Species Name State Conformation
1 D Deuterium atom 1SKh
2 H Hydrogen atom 1SKh
3 H- Hydrogen atom anion 2SKh
4 H+ Hydrogen atom cation  Kh
5 H2- hydrogen diatomic anion 2Σu+D∞h
6 H2+ Hydrogen cation 2Σg+D∞h
7 He Helium atom   
8 He- Helium atom anion 2SKh
9 He+ Helium atom cation 2SKh
10 HeH+ Helium hydride cation 1ΣC∞v
11 He2+ helium diatomic cation 2ΣuD∞h
12 Li Lithium atom 2SKh
13 Li+ Lithium atom cation 1SKh
14 Na Sodium atom 2SKh
15 Na- Sodium atom anion 1SKh
16 K Potassium atom 2SKh
17 K- Potassium atom anion 1SKh
18 K+ Potassium atom cation 1SKh
19 Cu Copper atom 2SKh
20 Cu- Copper atom anion 1SKh
21 Cu+ Copper atom cation 1SKh
22 LiH+ lithium hydride cation 2ΣC∞v
23 NaH+ sodium hydride cation 2ΣC∞v
24 KH Potassium hydride 1ΣC∞v
25 KH+ Potassium hydrogen cation 2ΣC∞v
26 CuH Copper monohydride 1ΣC∞v
27 Be+ Beryllium atom cation 2SKh
28 Mg- Magnesium atom anion 2PKh
29 Mg+ Magnesium atom cation 2SKh
30 Ca- Calcium atom anion 2DKh
31 Ca+ Calcium atom cation 2SKh
32 BeH beryllium monohydride 2ΣC∞v
33 MgH magnesium monohydride 2ΣC∞v
34 CaH Calcium monohydride 2ΣC∞v
35 TiH Titanium monohydride 4ΦC∞v
36 ZnH Zinc monohydride 2ΣC∞v
37 BeH2+ Beryllium dihydride cation 2ΣC∞v
38 BeH2+ Beryllium dihydride cation 2ΣuD∞h
39 BeH2+ Beryllium dihydride cation   
40 B Boron atom 2PKh
41 B Boron atom 4PKh
42 B+ Boron atom cation 1SKh
43 Al Aluminum atom 2PKh
44 Al- Aluminum atom anion 3PKh
45 Al+ Aluminum atom cation 1SKh
46 Sc Scandium atom 2DKh
47 Sc+ Scandium cation 3DKh
48 Ga Gallium atom 2P 
49 Ga- Gallium atom anion 3POh
50 Ga+ Gallium atom cation 1S 
51 BH Boron monohydride 3ΠC∞v
52 BH- boron monohydride anion 4ΣC∞v
53 ScH+ Scandium monohydride cation 2ΣC∞v
54 GaH+ Gallium monohydride cation 2ΣC∞v
55 BH2 boron dihydride 2A1C2v
56 BH2- boron dihydride anion 3B1C2v
57 AlH2 aluminum dihydride 2A1C2v
58 AlH2- aluminum dihydride anion 1A1C2v
59 AlH2+ aluminum dihydride cation 1ΣgD∞h
60 BH3+ boron trihydride cation 2E'D3h
61 BH3+ boron trihydride cation 2B2C2v
62 BH3+ boron trihydride cation  C2v
63 AlH3- aluminum trihydride anion 2A2"D3h
64 AlH3- aluminum trihydride anion  C3v
65 AlH3+ aluminum trihydride cation 2ED3h
66 AlH3+ aluminum trihydride cation 2A1C2v
67 BH4 borohydride 2B2C2v
68 BH4- borohydride anion 1A1Td
69 C Carbon atom 3P0Kh
70 C- Carbon atom anion 2DKh
71 C+ Carbon atom cation 2PKh
72 Si Silicon atom 3PKh
73 Si- Silicon atom anion 4SKh
74 Si+ Silicon atom cation 2PKh
75 Ge Germanium atom 3PKh
76 Ge- Germanium anion 4SKh
77 Ge+ Germanium cation 2PKh
78 Sn Tin atom   
79 Sn+ Tin cation   
80 CH Methylidyne 2Π1/2C∞v
81 SiH Silylidyne 2ΠC∞v
82 SiH- silicon monohydride anion 3ΣC∞v
83 GeH germylidene 2ΠC∞v
84 CH2 Methylene 3B1C2v
85 CH2 Methylene 3ΣGD∞h
86 CH2- methylene anion 2B1C2v
87 CH2+ methylene cation 2A1C2v
88 CH2+ methylene cation 2ΠD∞h
89 SiH2 silicon dihydride 3B1C2v
90 SiH2- silicon dihydride anion 2B1C2v
91 SiH2+ silicon dihydride cation 2A1C2v
92 GeH2 germylene 1A1C2v
93 GeH2- germylene anion 2B1C2v
94 CH3 Methyl radical 2A1D3h
95 CH3- methyl anion 1A1C3v
96 CH3+ methyl cation 1A1'D3h
97 SiH3 Silyl radical 2A1C3v
98 SiH3- Silyl anion 1A1C3v
99 SiH3+ Silyl cation 1A1'D3h
100 GeH3 Germyl radical 2A1C3v
101 GeH3+ germyl cation 1A1'D3h
102 N Nitrogen atom 4SKh
103 N- Nitrogen atom anion 3SKh
104 N+ Nitrogen atom cation 3PKh
105 P Phosphorus atom 4SKh
106 P- Phosphorus atom anion 3PKh
107 P+ Phosphorus atom cation 3PKh
108 V Vanadium atom 4FKh
109 V+ Vanadium atom cation 5DKh
110 As Arsenic atomic 4SKh
111 As- Arsenic anion 3PKh
112 As+ Arsenic cation 3PKh
113 Sb Antimony atom   
114 NH Imidogen 3Σ-C∞v
115 PH phosphorus monohydride 3Σ-C∞v
116 AsH Arsenic monohydride 3ΣC∞v
117 AsH+ Arsenic monohydride cation 2ΠC∞v
118 SbH Antimony monohydride   
119 ND2 Amidogen-d2 2B1C2v
120 NH2 Amino radical 2B1C2v
121 NH2+ Amino cation 3B1C2v
122 PH2 Phosphino radical 2B1C2v
123 PH2- Phosphino anion 1A1C2v
124 PH2+ Phosphino cation 1A1C2v
125 AsH2 Arsenic dihydride 2A1C2v
126 NH3- Ammonia anion 2A1C3v
127 NH3+ ammonia cation 2A2"D3h
128 PH3+ Phosphine cation 2A1C3v
129 AsH3+ Arsine cation 2A1C3v
130 NH4 Ammonium radical   
131 PH4 Phosphoranyl radical   
132 O Oxygen atom 3SKh
133 O- Oxygen atom anion 2PKh
134 O+ Oxygen atom cation 4SKh
135 S Sulfur atom 3PKh
136 S- Sulfur atom anion 2PKh
137 S+ Sulfur atom cation 4SKh
138 Se Selenium atom 3PKh
139 Se- Selenium atom anion 2PKh
140 Se+ Selenium atom cation 4SKh
141 Te Tellurium atom   
142 Te+ Tellurium atom cation   
143 DO Hydroxyl-d 2ΠC∞v
144 OH Hydroxyl radical 2ΠC∞v
145 OH+ hydoxyl cation 3ΣC∞v
146 DS Mercapto-d 2ΠC∞v
147 HS Mercapto radical 2ΠC∞v
148 HS- mercapto anion 1ΣC∞v
149 HS+ sulfur monohydride cation 3ΣC∞v
150 CrH Chromium hydride 6ΣC∞v
151 CrH+ Chromium hydride cation 5ΣC∞v
152 HSe Selenium monohydride 2ΠC∞v
153 HSe+ selenium monohydride cation 3ΣC∞v
154 TeH Telluryl radical   
155 H2O- water anion 2A1C2v
156 H2O- water anion 2A'Cs
157 H2O+ water cation 2B1C2v
158 H2S- Hydrogen sulfide anion 2A'Cs
159 H2S+ Hydrogen sulfide cation 2B1C2v
160 H2Se Hydrogen selenide 1A1C2v
161 H2Se+ Hydrogen selenide cation 2B1C2v
162 H3S+ Sulfonium cation 1A1C3v
163 F Fluorine atom 2PKh
164 F- Fluorine atom anion 1SKh
165 F+ Fluorine atom cation 3SKh
166 F+ Fluorine atom cation 1DKh
167 Cl Chlorine atom 2PKh
168 Cl- Chlorine atom anion 1SKh
169 Cl+ Chlorine atom cation 3PKh
170 Cl+ Chlorine atom cation 1DKh
171 Br Bromine atom 2PKh
172 Br- Bromine atom anion 1SKh
173 Br+ Bromine atom cation 3PKh
174 I Iodine atom 2PKh
175 I- Iodine atom anion 1SKh
176 I+ Iodine atom cation 3PKh
177 HF- hydrogen fluoride anion 2ΣC∞v
178 HF+ hydrogen fluoride cation 2ΠC∞v
179 HCl- hydrogen chloride anion 2ΣC∞v
180 HCl+ hydrogen chloride cation 2ΠC∞v
181 HBr hydrogen bromide 1ΣC∞v
182 HBr- hydrogen bromide anion 2ΣC∞v
183 HBr+ hydrogen bromide cation 2ΠC∞v
184 H2Cl+ dihydrogen monochloride cation 1A1C2v
185 Ne Neon atom   
186 Ne- Neon atom anion 2SKh
187 Ne+ Neon atom cation 2PKh
188 Ar- Argon atom anion 2SKh
189 Ar+ Argon atom cation 2PKh
190 Kr+ Krypton cation 2PKh
191 NeH neon hydrogen 2ΣC∞v
192 ArH+ Argon hydride cation 1ΣC∞v
193 Na2- sodium diatomic anion 2ΣuD∞h
194 Na2+ sodium diatomic cation 2ΣgD∞h
195 NaK+ Sodium Potassium diatomic cation 1
196 LiBe Lithium Beryllium 2ΣC∞v
197 LiMg Lithium magnesium 2ΣC∞v
198 NaBe Sodium Beryllium 2ΣC∞v
199 NaMg Sodium Magnesium 2ΣC∞v
200 Be2 Beryllium diatomic 3ΠgD∞h
201 Be2- Beryllium diatomic anion 2ΠuD∞h
202 LiB Lithium boride 3ΠC∞v
203 BeB Beryllium monoboride 2ΠC∞v
204 B2 Boron diatomic 3ΣgD∞h
205 B2 Boron diatomic 5ΣuD∞h
206 B2+ Boron diatomic cation 2ΠD∞h
207 BAl Boron Aluminum 3ΣC∞v
208 BGa Boron Gallium 3ΣC∞v
209 AlGa Aluminum Gallium 3ΣC∞v
210 Ga2 Gallium diatomic 3Piu 
211 HBBH Diborane(2) 3ΣGD∞h
212 B2H6+ Diborane cation   
213 LiC Lithium Carbide 4ΣC∞v
214 BeC Beryllium Carbide 3Σ-C∞v
215 BeC Beryllium Carbide   
216 CaC Calcium monocarbide   
217 BC boron monocarbide 4Σ-C∞v
218 BC- boron monocarbide anion 3ΠuC∞v
219 AlC Aluminum carbide 4ΣC∞v
220 BSi Boron silicide 4ΣC∞v
221 BSi Boron silicide 2ΣC∞v
222 C2 Carbon diatomic 3ΠuD∞h
223 C2+ carbon diatomic cation 4ΣgD∞h
224 SiC silicon monocarbide 3ΣC∞v
225 SiC- silicon monocarbide anion 2ΣgC∞v
226 SiC+ silicon monocarbide cation 2ΠC∞v
227 Si2 Silicon diatomic 3ΣgD∞h
228 GeC Germanium monocarbide 1ΣC∞v
229 SiGe Silicon Germanium   
230 Ge2 Germanium diatomic 3ΣgD∞h
231 Ge2 Germanium diatomic 1ΣGD∞h
232 C2H Ethynyl radical 2ΣC∞v
233 ZnCH2 Zinc methylene 3B1C2v
234 ZnCH2 Zinc methylene 1A'Cs
235 C2H2+ acetylene cation 2ΠuD∞h
236 C2H2+ acetylene cation   
237 CCH2 vinylidene 1A1C2v
238 CCH2 vinylidene 3B2C2v
239 H2CC- vinylidene anion   
240 HCCH- acetylene anion   
241 HCCH- acetylene anion   
242 CH3Li methyl lithium 1A1C3v
243 ZnCH3 Zinc monomethyl 2A1C3v
244 C2H3 vinyl 2A'Cs
245 C2H3+ vinyl cation 1A1C2V bridging H
246 C2H4- Ethylene anion 2B2gD2h
247 C2H4- Ethylene anion 2AgC2h
248 C2H4+ Ethylene cation 2B3uD2h
249 C2H4+ Ethylene cation 2B3D2
250 CH3CH methylmethylene 3A"Cs
251 C2H5 Ethyl radical 2A'Cs
252 C2H6+ ethane cation 2BgC2h
253 C2H6+ ethane cation 2AgCi
254 LiN Lithium Nitride 3ΣC∞v
255 LiN+ Lithium Nitride cation 4ΣC∞v
256 LiP Lithium monophosphide   
257 BeN Beryllium mononitride 4ΣC∞v
258 BeN Beryllium mononitride 2ΠC∞v
259 BeN- Beryllium mononitride anion 1ΣC∞v
260 BeN+ Beryllium mononitride cation 1ΣC∞v
261 MgN Magnesium Nitride   
262 MgN Magnesium Nitride   
263 BP Boron monophosphide 3ΠC∞v
264 AlP Aluminum monophosphide 3ΣC∞v
265 AlP Aluminum monophosphide 3ΠC∞v
266 GaN Gallium mononitride 3ΠC∞v
267 GaP Gallium monophosphide 3ΣC∞v
268 GaAs Gallium arsenide 3Π 
269 GaAs Gallium arsenide 1Σ 
270 BN boron nitride 3ΠC∞v
271 AlN Aluminum nitride 3ΠiC∞v
272 CN Cyano radical 2ΣC∞v
273 CP Carbon monophosphide 2ΣC∞v
274 SiN Silicon nitride 2ΣC∞v
275 SiP Silicon monophosphide 2ΠC∞v
276 SiP- Silicon monophosphide anion 1ΣC∞v
277 SiP+ Silicon monophosphide cation 3ΣC∞v
278 N2 Nitrogen diatomic   
279 N2- nitrogen diatomic anion 2ΠgD∞h
280 N2+ diatomic nitrogen cation 2ΣgD∞h
281 HNB hydrogen nitrogen boron 2ΣC∞v
282 HCN+ hydrogen cyanide cation 2ΠC∞v
283 HNC+ hydrogen isocyanide cation   
284 HCP+ Phosphaethyne cation   
285 NNH Dinitrogen monohydride 2A'Cs
286 HPO+ Hydrogen phosphorus oxide cation 2A'Cs
287 CNH2 Aminomethylidyne radical 2B2C2v
288 H2CN Dihydrogen cyanide radical 2B2C2v
289 H2CN+ hydrocyanonium cation 1A1C2v
290 HCNH methyleneazane 2A'CS cis
291 HCNH methyleneazane 2A'CS trans
292 N2H2+ trans-diazene cation 2AGC2h
293 CH2NH+ Methanimine cation   
294 CHNH2+ Aminocarbene cation   
295 N2H4+ hydrazine cation 2AGC2h
296 CH3NH2+ methyl amine cation 2A'Cs
297 CH3NH3 methyl ammonium radical 2A1C3v
298 LiO lithium oxide 2ΣC∞v
299 LiO- lithium oxide anion 1ΣC∞v
300 LiO- lithium oxide anion 3ΣC∞v
301 LiO+ lithium oxide cation 3ΣC∞v
302 LiS Lithium monosulfide 2ΠC∞v
303 LiS+ Lithium sulfide cation 3ΣC∞v
304 NaO sodium monoxide 2ΣC∞v
305 KO Potassium monoxide 2ΣC∞v
306 KO+ Potassium monoxide cation 3ΣC∞v
307 NaS Sodium sulfide 2ΠC∞v
308 CuO Copper Monoxide 2ΠC∞v
309 LiSe Lithium monoselenide   
310 BeO- Beryllium monoxide anion 2ΣC∞v
311 BeO+ Beryllium monoxide cation 2ΠC∞v
312 BO boron monoxide 2ΣC∞v
313 BO- boron monoxide anion 1ΣC∞v
314 AlO Aluminum monoxide 2ΣC∞v
315 BS boron sulfide 2ΣC∞v
316 AlS Aluminum sulfide 2ΣC∞v
317 ScO Scandium monoxide 2ΣC∞v
318 GaO Gallium monoxide 2ΣC∞v
319 GaS Gallium monosulfide   
320 CO Carbon monoxide 3ΠC∞v
321 CO- carbon monoxide anion 2ΠC∞v
322 CO+ carbon monoxide cation 2ΣC∞v
323 TiO Titanium monoxide 3ΔC∞v
324 GeO+ Germanium monoxide cation 2ΣC∞v
325 SiSe+ Silicon Monoselenide cation   
326 NO Nitric oxide 2ΠC∞v
327 NO- nitric oxide anion 3ΣC∞v
328 NS Mononitrogen monosulfide 2ΠC∞v
329 NS- nitrogen sulfide anion 3ΣC∞v
330 PO Phosphorus monoxide 2ΠC∞v
331 PS phosphorus sulfide 2ΣC∞v
332 VO Vanadium monoxide 4Σ- 
333 AsO Arsenic monoxide 2ΠC∞v
334 NSe Nitrogen monoselenide 2ΠC∞v
335 AsS Arsenic monosulfide 2ΠC∞v
336 PSe Phosphorus monoselenide 2ΠC∞v
337 AsSe Arsenic monoselenide 2ΠC∞v
338 O2 Oxygen diatomic 3ΣgD∞h
339 O2- oxygen diatomic anion 2ΠD∞h
340 O2+ diatomic oxygen cation 2ΠgD∞h
341 SO Sulfur monoxide 3ΣC∞v
342 SO Sulfur monoxide 1ΣC∞v
343 SO+ sulfur monoxide cation 2ΠC∞v
344 S2 Sulfur diatomic 3ΣgD∞h
345 SeO Selenium monoxide 3ΣC∞v
346 TeO Tellurium monoxide   
347 Se2 Selenium diatomic 3ΣgD∞h
348 Te2 Tellurium diatomic   
349 BeOH beryllium monohydroxide 2A'Cs
350 BeOH beryllium monohydroxide 2ΣC∞v
351 MgOH magnesium hydroxide 2A'Cs
352 COH Hydroxymethylidyne   
353 HCO Formyl radical 2A'Cs
354 HCO- formyl anion 1A'Cs
355 HCO+ Formyl cation 1ΣC∞v
356 HCS Thioformyl radical 2A'Cs
357 HCS+ Thioformyl cation 1ΣC∞v
358 HNO Nitrosyl hydride 1A'Cs
359 HNO- Nitrosyl hydride anion 2A"Cs
360 HNO+ Nitrosyl hydride cation 2A'Cs
361 NOH Hydroxyimidogen 3A"Cs
362 NOH+ O-protonated nitric oxide 2A'Cs
363 HNS- Sulfur imide anion 2ACs
364 HO2 Hydroperoxy radical 2A"Cs
365 HO2- Hydroperoxy anion 1A'Cs
366 HO2+ Hydroperoxy cation 3A"Cs
367 HO2+ Hydroperoxy cation 3ΣC∞v
368 HO2+ Hydroperoxy cation 1A'Cs
369 SOH Sulfur Hydroxide   
370 SOH+ Sulfur Monoxide, protonated   
371 HS2 Thiosulfeno radical 2A"Cs
372 H2CO- formaldehyde anion 2A'Cs
373 H2CO- formaldehyde anion   
374 H2CO+ formaldehyde cation 2B2C2v
375 H2CS- thioformaldehyde anion   
376 H2CS- thioformaldehyde anion   
377 H2CS+ thioformaldehyde cation 2B2C2v
378 H2NO nitroxide 2B1C2v
379 H2NO nitroxide 2A'Cs
380 H2O2+ Hydrogen peroxide cation 2BgC2h
381 H2O2+ Hydrogen peroxide cation 2A1C2v
382 H2S2+ hydrogen disulfide cation 2BgC2h
383 CH2OH Hydroxymethyl radical 2AC1
384 CH3O Methoxy radical 2A'C1
385 CH3O+ Methoxy cation 3A1C3v
386 CH3S thiomethoxy 2A'C3v
387 NH2OH+ Hydroxylamine cation   
388 CH3OH- Methyl alcohol anion 2A'Cs
389 CH3OH- Methyl alcohol anion 2A'CS eclipsed
390 CH3OH+ Methyl alcohol cation 2A"Cs
391 CH3OH+ Methyl alcohol cation 2AC1
392 CH3SH+ Methanethiol cation 2A"Cs
393 NH2OH2+ protonated hydroxylamine   
394 NH3OH+ N-protonated hydroxylamine   
395 NaF+ sodium fluoride cation 2ΣC∞v
396 LiF- lithium fluoride anion 2ΣC∞v
397 LiF+ lithium fluoride cation 2ΠC∞v
398 BeF Beryllium monofluoride 2ΣC∞v
399 BeF- Beryllium monofluoride anion 1ΣC∞v
400 BeF+ Beryllium monofluoride cation 1ΣC∞v
401 BeCl beryllium monochloride 2ΣC∞v
402 MgF Magnesium monofluoride 2ΣC∞v
403 MgCl magnesium monochloride 2ΣC∞v
404 CaCl calcium monochloride 2ΣC∞v
405 TiCl Titanium Monochloride 4ΣC∞v
406 ZnF Zinc monofluoride 2ΣC∞v
407 ZnCl Zinc monochloride 2ΣC∞v
408 CaBr Calcium monobromide   
409 GaF Gallium monofluoride 1ΣC∞v
410 GaF+ Gallium monofluoride cation 2ΣC∞v
411 GaCl Gallium monochloride 1ΣGC∞v
412 GaCl+ Gallium monochloride cation 2ΣC∞v
413 CF Fluoromethylidyne 2ΠC∞v
414 CF- carbon monofluoride anion 3ΣC∞v
415 CCl carbon monochloride 2ΠC∞v
416 SiF silicon monofluoride 2ΠC∞v
417 SiF- silicon monofluoride anion 3ΣC∞v
418 SiCl Clorosilylidyne 2ΠC∞v
419 CBr Carbon monobromide 2ΠC∞v
420 GeF Germanium monofluoride 2ΠC∞v
421 GeCl Germanium monochloride 2ΠC∞v
422 SiBr Silicon monobromide 2ΠC∞v
423 SiBr+ Silicon monobromide cation   
424 NF nitrogen fluoride 3ΣC∞v
425 NCl nitrogen monochloride 3ΣC∞v
426 NCl- nitrogen monochloride anion 2ΠC∞v
427 NCl+ nitrogen monochloride cation 2ΠC∞v
428 AsF Arsenic monofluoride 3ΣC∞v
429 NBr nitrogen monobromide 3Σ-C∞v
430 AsCl Arsenic monochloride 3ΣC∞v
431 PBr Phosphorus monobromide   
432 FO Oxygen monofluoride 2ΠC∞v
433 ClO Monochlorine monoxide 2ΠC∞v
434 ClO+ chlorine monoxide cation 3ΣC∞v
435 SF Monosulfur monofluoride 2ΠC∞v
436 SF+ sulfur monofluoride cation 3ΣC∞v
437 SCl sulfur monochloride 2ΠC∞v
438 SCl+ sulfur monochloride cation 3ΣgC∞v
439 BrO Bromine monoxide 2ΠC∞v
440 BrO+ Bromine monoxide cation   
441 SeF Selenium monofluoride 2ΠC∞v
442 SBr Sulfur monobromide radical   
443 SBr+ Sulfur monobromide cation   
444 SeCl Selenium monochloride 2ΠC∞v
445 IO Iodine monoxide   
446 SeBr Selenium monobromide   
447 F2- flourine diatomic anion 2ΣuD∞h
448 F2+ flourine diatomic cation 2ΠgD∞h
449 ClF Chlorine monofluoride 1Σ+C∞v
450 ClF+ clorine monofluoride cation 2ΠC∞v
451 Cl2- chlorine diatomic anion 2ΣuD∞h
452 Cl2+ chlorine diatomic cation 2ΠgD∞h
453 Br2- bromine diatomic anion 2ΣuD∞h
454 Br2+ bromine diatomic cation 2ΠgD∞h
455 I2+ Iodine diatomic cation 2ΠgD∞v
456 HCF Fluoromethylene 3A"Cs
457 HCCl Chloromethylene 3A"Cs
458 CHBr bromomethylene 3A"Cs
459 HOCl+ hypochlorous acid cation   
460 HOBr+ Hypobromous acid cation 2A"Cs
461 FHF- Hydrogen difluoride anion 1ΣgD∞h
462 CH2Br bromomethyl radical 2A'Cs
463 CH2Br bromomethyl radical   
464 CH2F fluoromethyl radical 2ACs
465 CH2Cl chloromethyl radical 2A'Cs
466 CH2Cl chloromethyl radical 2B1C2v
467 CH3F+ methyl fluoride cation   
468 CH3Cl+ Methyl chloride cation   
469 CH3Br methyl bromide 1A1C3v
470 Ne2+ Neon diatomic cation 2ΣuD∞h
471 Ar2+ Argon diatomic cation 2ΣuD∞h
472 Li3 Lithium trimer 2B2C2v
473 C3 carbon trimer 1A1C2v
474 C3+ carbon trimer cation 2ΣuD∞h
475 C3H3 cyclopropenyl radical 2A'Cs
476 C3H3- Propargyl anion 1A'Cs
477 C3H3+ Propargyl cation 1A1C2v
478 C3H5 Allyl radical 2A2C2v
479 C3H5 Allyl radical 2A"Cs
480 CH3CHCH 1-propenyl radical 2A'Cs
481 C3H7 n-Propyl radical 2A"C1
482 CH3CHCH3 Isopropyl radical 2AC2
483 LiCN lithium cyanide 1ΣC*V LiCN
484 ZnCN Zinc monocyanide 2ΣC∞v
485 ZnNC Zinc isocyanide 2ΣC∞v
486 CNN Diazocarbene   
487 NCN Cyanoimidogen 3ΣgD∞h
488 N3 azide radical 2ΠgD∞h
489 N3+ azide cation 3ΣgD∞h
490 N3+ azide cation 3ΣC∞v
491 HCCN cyanomethylene 3A"Cs
492 HCCN cyanomethylene 3ΣC∞v
493 HCCN cyanomethylene   
494 HN3 hydrogen azide 1A'Cs
495 HN3+ Hydrazoic acid cation   
496 CH3CN- acetonitrile anion 2EC3v
497 CH3CN- acetonitrile anion 2A'Cs
498 CH3CN+ Acetonitrile cation 2A"Cs
499 HCNCH2+ 2H-Azirine cation   
500 CH2CHNH vinylazine 2A"CS cis
501 CH2CHNH vinylazine 2A"CS trans
502 CH3CHN methylmethaniminyl radical 2A'Cs
503 Li2O+ dilithium oxide cation 2ΠD∞h
504 LiO2 Lithium dioxide   
505 NaO2 Sodium superoxide   
506 CCO Dicarbon monoxide 3ΣC∞v
507 NCO isocyanato radical 2ΠC∞v
508 SCN thiocyanato radical 2ΠC∞v
509 BO2 Boron dioxide 2A'D∞h
510 BO2+ Boron dioxide cation 3ΣgD∞h
511 N2O- Nitrous oxide anion 2A'Cs
512 N2O+ Nitrous oxide cation 2ΠC∞v
513 CO2- Carbon dioxide anion 2A1C2v
514 CO2+ Carbon dioxide cation 2ΠgD∞h
515 CO2+ Carbon dioxide cation 2ΠC∞v
516 OCS+ Carbonyl sulfide cation 2ΠC∞v
517 CS2- Carbon disulfide anion 2A1C2v
518 CS2+ Carbon disulfide cation 2ΠD∞h
519 NO2 Nitrogen dioxide 2A1C2v
520 NO2- Nitrogen dioxide anion 1A1C2v
521 NO2+ Nitrogen dioxide cation 1ΣGD∞h
522 NSO sulfinyl amidogen   
523 PO2 Phosphorus dioxide 2A1C2v
524 PO2+ Phosphorus dioxide cation 1ΣGD∞h
525 SNO Nitrogen oxide sulfide   
526 AsO2 Aresenic dioxide 2A1C2v
527 O3- Ozone anion 2B1C2v
528 O3+ Ozone cation 2A1C2v
529 SO2 Sulfur dioxide 1A1C2v
530 SO2- Sulfur dioxide anion 2B1C2v
531 SO2+ Sulfur dioxide cation 2A1C2v
532 S3- Sulfur trimer anion 2B1C2v
533 S3+ Sulfur trimer cation 2B2C2v
534 SeO2+ Selenium dioxide cation 2A1C2v
535 HCCO ketenyl radical 2ΠC∞v
536 HCCO ketenyl radical 2A"Cs
537 HCOO formate neutral radical 2A'Cs
538 HOCO Hydrocarboxyl radical 1A'cis
539 HOCO Hydrocarboxyl radical 1A'trans
540 HOCO+ Hydrocarboxyl cation 1A'Cs
541 HNO2+ nitrous acid cation 2A'Cs
542 CH2CO+ Ketene cation 2B1C2v
543 CH2CHO Vinyloxy radical 2A"Cs
544 CH3CO Acetyl radical 2A'Cs
545 CH2OOH CH2OOH radical 2AC1
546 CH3OO methylperoxy radical 2A"Cs
547 CH3OO+ methylperoxy cation 1A'Cs
548 C2H4O+ ethylene oxide cation   
549 CH3CHO+ acetaldehyde cation   
550 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
551 CH2CH2OH 2-hydroxy ethyl radical 2A'Cs
552 CH2CH2OH 2-hydroxy ethyl radical 2AC1
553 CH3CH2O Ethoxy radical 2A'Cs
554 CH3CHOH 1-hydroxy-ethyl radical 2AC1
555 CH3OCH2 methoxymethyl radical 2AC1
556 CH3CH2SH ethanethiol 1A'Cs
557 CH3SCH3+ dimethyl sulfide cation   
558 CuF2 Copper difluoride 2ΠgD∞h
559 ZnF2 Zinc difluoride 1ΣGD∞h
560 ICN Cyanogen iodide 1ΣC∞v
561 FCO Carbonyl fluoride 2A'Cs
562 ClCO carbonyl monochloride 2ΣC∞v
563 BF2 Boron difluoride radical 2A1C2v
564 BrNO Nitrosyl bromide 1A'Cs
565 CF2 Difluoromethylene 3B1C2v
566 CF2- Difluoromethylene anion 2B1C2v
567 CF2+ Difluoromethylene cation 2A1C2v
568 SiF2 Silicon difluoride 1A1C2v
569 SiF2 Silicon difluoride 3B1C2v
570 SiF2+ Silicon difluoride cation 2A1C2v
571 CCl2- dichloromethylene anion 2B1C2v
572 CCl2+ dichloromethylene cation 2A1C2v
573 CBr2 dibromomethylene 3B1C2v
574 FOO Dioxygen monofluoride radical 2A"Cs
575 FOO+ Fluorine dioxide cation   
576 ClOO chloroperoxy radical 2A"Cs
577 ClOO+ chloroperoxy cation 1A'Cs
578 OClO Chlorine dioxide 2B1D∞h
579 OClO- Chlorine dioxide anion 1A'Cs
580 OClO+ Chlorine dioxide cation 1A1C2v
581 ClSO Sulfur chloride oxide 2A"Cs
582 ClS2 Sulfur chloride 2A"Cs
583 BrOO Bromine dioxide   
584 OBrO Bromine dioxide radical 2B1C2v
585 NF2 Difluoroamino radical 2B1C2v
586 NF2+ Difluoroamino cation 1A1C2v
587 PF2 Phosphorus difluoride   
588 SF2- sulfur difluoride anion 2A'Cs
589 SF2- sulfur difluoride anion 2ΠD∞h
590 SF2+ sulfur difluoride cation 2B1C2v
591 BrOCl Bromine hypochlorite 1A'Cs
592 BrOBr Bromine oxide 1A1C2v
593 I3- triiodide   
594 HCCF+ fluoroacetylene cation 2ΠC∞v
595 HFCO+ formyl fluoride cation 2A'Cs
596 COHCl Formyl chloride 1A'Cs
597 COHBr Formyl bromide 1A'Cs
598 CHCl2 dichloromethyl radical 2B1C2v
599 CHCl2 dichloromethyl radical 2A'Cs
600 CHF2 difluoromethyl radical 2ACs
601 CHFCl Chlorofluoromethyl radical   
602 CHBr2 dibromomethyl radical   
603 CH2CHF Ethene, fluoro- 1A'Cs
604 CH3OCl methyl hypochlorite 1A'Cs
605 CH2CH2Cl 2-chloroethyl radical 2A'Cs
606 CHClCH3 1-chloroethyl radical 2AC1
607 C4 Carbon tetramer 3ΣgD∞h
608 C4H2+ diacetlyene cation 2ΠgD∞h
609 CH3CHCHCH2 methylallyl radical 2A"Cs
610 C(CH3)3 Tert-butyl radical 2A"C3v
611 CH2CH(CH3)2 Isobutyl radical 2A'C1
612 CH3CHCH2CH3 2-Butyl radical 1AC1
613 C2N2+ Cyanogen cation 2ΠgD∞h
614 HCCCN+ Cyanoacetylene cation 2ΠC∞v
615 C3H3N+ acrylonitrile cation 2A"Cs
616 NH2CCNH2 Diaminoacetylene 1A1D2d
617 NO3+ nitrogen trioxide cation 1A1C2v
618 NO3+ nitrogen trioxide cation 1A1'D3h
619 SO3- Sulfur trioxide anion 2A1pyramidal
620 SO3- Sulfur trioxide anion 2A2"planar
621 SO3+ Sulfur trioxide cation 2A2'D3h
622 HSO3 Hydroxysulfonyl radical 2AC1
623 C2H2O2 Ethanedial 1AgC2h
624 CH3COCH2 Acetonyl radical 2A"Cs
625 C2H5OO ethylperoxy radical 2A'Cs
626 CH3COCH3- acetone anion 2A'Cs
627 C2Cl2+ dichloroacetylene cation 2ΠUD∞h
628 BrONO Bromine nitrite 1A'CS trans
629 CF2O+ Carbonic difluoride cation   
630 COFCl Carbonic chloride fluoride 1A'Cs
631 COBr2 Carbonic dibromide 1A1C2v
632 BF3- Borane, trifluoro- anion 2A1D3h
633 BF3- Borane, trifluoro- anion 2A1C3v
634 BF3+ boron trifluoride cation 2A2'D3h
635 BF3+ boron trifluoride cation 2B2C2v
636 BF3+ boron trifluoride cation   
637 BCl3+ Boron Trichloride cation   
638 CF3 Trifluoromethyl radical 2A1C3v
639 CF3- Trifluoromethyl anion 1A1C3v
640 CF3+ Trifluoromethyl cation 1A1'D3h
641 CF2Cl difluorochloromethyl radical   
642 SiF3 Silicon trifluoride radical 2A1C3v
643 SiF3+ Silicon trifluoride cation 1A1'D3h
644 CFCl2 dichlorofluoromethyl radical   
645 CCl3 Trichloromethyl radical 2A1C3
646 CCl3- Trichloromethyl anion 1A1C3v
647 CCl3+ Trichloromethyl cation 1A1'D3h
648 CBr3 tribromomethyl radical   
649 NF3 Nitrogen trifluoride 1A1C3v
650 NF3- Nitrogen trifluoride anion 2A1C3v
651 NF3- Nitrogen trifluoride anion 2ACs
652 NF3+ Nitrogen trifluoride cation 2A1C3v
653 SF3 Sulfur trifluoride 2A'Cs
654 CHBrF2 Methane, bromodifluoro- 1A'Cs
655 CHBrCl2 Methane, bromodichloro- 1A'Cs
656 CHClBr2 Methane, dibromochloro- 1A'Cs
657 CH2ClCHO chloroacetaldehyde 1AC1 bisecting, trans
658 CH2BrCH2Br Ethane, 1,2-dibromo- 1AgC2h
659 CH3CH2CH2Br n-propyl bromide 1A'Cs
660 CH3CHBrCH3 i-propyl bromide 1A'Cs
661 C5H5 cyclopentadienyl radical 2B1C2v
662 C5H7 cyclopentenyl radical 2A2C2v
663 C5H11 2-Methylbut-2-yl radical 1AC1
664 C3H3N2 imidazolyl radical 2B1C2v
665 C4H4N pyrrolide radical 2A2C2v
666 C3O2+ Carbon suboxide cation 2ΠUD∞h
667 CBrClF2 Methane, bromochlorodifluoro- 1A'Cs
668 CBr4 Carbon tetrabromide 1A1Td
669 C2HF3+ Trifluoroethylene cation 2A"Cs
670 CHCl2CHO dichloroacetaldehyde 1AC1
671 CH3CF2Cl 1-Chloro-1,1-Difluoroethane 1A'Cs
672 XeF4 Xenon tetrafluoride   
673 C6H5 phenyl 2A1C2v
674 SF5 Sulfur pentafluoride 2A1C4v
675 CF3CHO trifluoroacetaldehyde 1A'Cs
676 CCl3CHO trichloroacetaldehyde 1A'Cs
677 CF3CH2Cl 2,2,2-Trifluoroethyl chloride 1A'Cs
678 C6H5CH2 benzyl radical 2B1Cs
679 C7H7 cycloheptatrienyl radical 2A2C2v
680 C6H13N cyclohexanamine 1AC1
681 C6H5O phenoxy radical 2B1C2v
682 PF6 Hexafluorophosphate neutral 2B2C2v
683 C6H12O2 Methyl pivalate 1AC1
684 C6H12O2 Hexanoic acid 1A1Cs
685 CF3CF2Cl pentafluorochloroethane 1A'Cs
686 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane 1AgC2h

Species NOT done yet
count Species Name file name problem
1 D- Deuterium atom anion d-  
2 D+ Deuterium atom cation d+  
3 D2 Deuterium diatomic d2  
4 H2 Hydrogen diatomic h2  
5 HD Deuterium hydride hd  
6 H3+ hydrogen trimer cation h3+  
7 He Helium atom he  
8 HeH Helium hydride heh  
9 Li- Lithium atom anion li-  
10 Na+ Sodium atom cation na+  
11 LiH Lithium Hydride lih  
12 LiH- lithium hydride anion lih-  
13 NaH sodium hydride nah  
14 NaH- sodium hydride anion nah-  
15 Be Beryllium atom be  
16 Be- Beryllium atom anion be-  
17 Mg Magnesium atom mg  
18 Ca Calcium atom ca  
19 Zn Zinc atom zn  
20 Zn- Zinc atom anion zn-  
21 Zn+ Zinc atom cation zn+  
22 BeH- berylium monohydride anion beh-  
23 BeH+ beryllium monohydride cation beh+  
24 MgH- magnesium monohydride anion mgh-  
25 MgH+ magnesium monohydride cation mgh+  
26 CaH+ Calcium monohydride cation cah+  
27 ZnH+ Zinc, protonated znh+  
28 BeH2 beryllium dihydride beh2  
29 MgH2 magnesium dihydride mgh2  
30 CaH2 Calcium Hydride cah2  
31 ZnH2 Zinc hydride znh2  
32 B- Boron atom anion b-  
33 BH Boron monohydride bh  
34 BH- boron monohydride anion bh-  
35 BH+ boron monohydride cation bh+  
36 AlH aluminum monohydride alh  
37 AlH- aluminum monohydride anion alh-  
38 AlH+ aluminum monohydride cation alh+  
39 ScH Scandium monohydride sch  
40 GaH Gallium monohydride gah  
41 BH2+ Boron dihydride cation bh2+  
42 BH3 boron trihydride bh3  
43 BH3- boron trihydride anion bh3-  
44 AlH3 aluminum trihydride alh3  
45 ScH3 Scandium trihydride sch3  
46 GaH3 Gallium trihydride gah3  
47 AlH4- Aluminum tetrahydride anion alh4-  
48 C- Carbon atom anion c-  
49 Ti Titanium atom ti  
50 Ti- Titanium atom anion ti-  
51 Ti+ Titanium atom cation ti+  
52 CH- methylidyne anion ch-  
53 CH+ Methylidyne cation ch+  
54 SiH+ silicon monohydride cation sih+  
55 GeH+ Germaniun monohyrdide cation geh+  
56 CD4 methane-d4 cd4  
57 CH2D2 methane-d2 ch2d2  
58 CH3D methane-d ch3d  
59 CH4 Methane ch4  
60 CH4- Methane anion ch4-  
61 CH4+ Methane cation ch4+  
62 CHD3 methane-d3 chd3  
63 SiH2D2 silane-d2 sih2d2  
64 SiH4 Silane sih4  
65 GeH4 Germane geh4  
66 SnH4 Stannane snh4  
67 SiH5+ Silane, protonated sih5+  
68 NH- Imidogen anion nh-  
69 NH+ imidogen cation nh+  
70 PH- phosphorus monohydride anion ph-  
71 PH+ phosphorus monohydride cation ph+  
72 NH2- amino anion nh2-  
73 AsH2+ Arsenic dihydride cation ash2+  
74 ND3 Ammonia-d3 nd3  
75 NH3 Ammonia nh3  
76 PH3 Phosphine ph3  
77 AsH3 Arsine ash3  
78 SbH3 Stibine sbh3  
79 AsH4+ Arsonium ash4+  
80 NH4+ ammonium cation nh4+  
81 PH4+ phosphonium cation ph4+  
82 Cr Chromium atom cr  
83 OH- hydroxide anion oh-  
84 HSe- selenium monohydride anion hse-  
85 D2O Deuterium oxide d2o  
86 H2O Water h2o  
87 HDO Water-d1 hdo  
88 D2S Hydrogen sulfide-d2 d2s  
89 H2S Hydrogen sulfide h2s  
90 H2Te Hydrogen Telluride h2te  
91 H3O+ hydronium cation h3o+  
92 H3Se+ Hydrogen Selenide, protonated h3se+  
93 Mn Manganese atom mn  
94 DF Hydrofluoric acid-d df  
95 HF Hydrogen fluoride hf  
96 DCl Hydrochloric acid-d dcl  
97 HCl Hydrogen chloride hcl  
98 HI Hydrogen iodide hi  
99 HI+ Hydrogen iodide cation hi+  
100 H2F+ dihydrogen fluoride cation h2f+  
101 H2Br+ protonated hydrogen bromide h2br+  
102 H2I+ Iodonium h2i+  
103 Ne Neon atom ne  
104 Ar Argon atom ar  
105 Fe Iron atom fe  
106 Kr Krypton atom kr  
107 Xe Xenon atom xe  
108 HeLi+ Helium Lithium cation heli+  
109 NeH+ neon hydrogen cation neh+  
110 KrH+ Protonated Krypton krh+  
111 XeH+ Xenon, protonated xeh+  
112 H2Ar H2 Ar dimer h2ar  
113 Co Cobalt atom cobalt  
114 Ni Nickel atom ni  
115 Li2 Lithium diatomic li2  
116 Li2- lithium diatomic anion li2-  
117 NaLi lithium sodium lina  
118 NaLi- lithium sodium anion lina-  
119 NaLi+ lithium sodium cation lina+  
120 LiK Lithium Potassium lik  
121 Na2 Sodium diatomic na2  
122 NaK Sodium Potassium nak  
123 K2 Potassium diatomic k2  
124 Cu2 Copper diatomic cu2  
125 Be2 Beryllium diatomic be2  
126 Be2+ Beryllium diatomic cation be2+  
127 BeMg Beryllium Magnesium bemg  
128 Mg2 Magnesium diatomic mg2  
129 Mg2- magnesium diatomic anion mg2-  
130 Mg2+ magnesium diatomic cation mg2+  
131 Ca2 Calcium diatomic ca2  
132 LiAl Lithium Aluminum lial  
133 NaAl Sodium aluminum naal  
134 B2- Boron diatomic anion b2-  
135 Al2 Aluminum diatomic al2  
136 Al2- aluminum diatomic anion al2-  
137 Al2+ aluminum diatomic cation al2+  
138 LiBH4 Lithium borohydride libh4  
139 B2H4 Diborane(4) D2d b2h4  
140 HBHHBH Diborane(4) C2V hbhhbh  
141 B2H6 Diborane b2h6  
142 Al2H6 dialane al2h6  
143 Ga2H6 digallane ga2h6  
144 BC+ boron monocarbide cation bc+  
145 C2 Carbon diatomic c2  
146 C2- carbon diatomic anion c2-  
147 Si2- silcon diatomic anion si2-  
148 Si2+ silcon diatomic cation si2+  
149 C2H- Ethynyl anion c2h-  
150 C2H+ Ethynyl cation c2h+  
151 C2H2 Acetylene c2h2  
152 Si2H2 disilyne si2h2  
153 CuCH3 monomethyl copper cuch3  
154 CH2BH methyleneborane ch2bh  
155 C2H3- vinyl anion c2h3-  
156 C2H4 Ethylene c2h4  
157 CH2SiH2 silaethylene ch2sih2  
158 Si2H4 Disilene si2h4  
159 CH3BH2 methylborane ch3bh2  
160 C2H5- Ethyl anion c2h5-  
161 C2H5+ Ethyl cation c2h5+  
162 C2H6 Ethane c2h6  
163 CH3SiH3 methyl silane ch3sih3  
164 Si2H6 disilane si2h6  
165 GeH3CH3 methyl germane geh3ch3  
166 C2H7+ Ethane, protonated c2h7+  
167 BeN+ Beryllium mononitride cation ben+  
168 BN- boron nitride anion bn-  
169 AlN- aluminum mononitride anion aln-  
170 AlN+ aluminum mononitride cation aln+  
171 BN+ boron nitride cation bn+  
172 CN- cyanide anion cn-  
173 CN+ Cyano cation cn+  
174 CP- carbon monophosphide anion cp-  
175 CP+ carbon monophosphide cation cp+  
176 SiN- silicon mononitride anion sin-  
177 SiN+ silicon mononitride cation sin+  
178 TiN Titanium mononitride tin  
179 N2 Nitrogen diatomic n2  
180 PN Phosphorus mononitride pn  
181 PN- phosphorus nitride anion pn-  
182 PN+ phosphorus nitride cation pn+  
183 P2 Phosphorus diatomic p2  
184 P2- phosphorus diatomic anion p2-  
185 P2+ phosphorus diatomic cation p2+  
186 AsN Arsenic mononitride asn  
187 AsP Arsenic monophosphide asp  
188 SbN Antimony nitride sbn  
189 As2 Arsenic diatomic as2  
190 HNC hydrogen isocyanide hnc  
191 HCN Hydrogen cyanide hcn  
192 HCN- Hydrogen cyanide anion hcn-  
193 HCP Phosphaethyne hcp  
194 NNH+ Dinitrogen monohydride cation nnh+  
195 HPO Hydrogen phosphorus oxide hpo  
196 LiNH2 lithium amide linh2  
197 HBNH Boranimine hbnh  
198 CNH2+ N-protonated hydrogen isocyanide cnh2+  
199 HCNH+ N-protonated HCN hcnh+  
200 H2NN Isodiazene h2nn  
201 N2H2 (E)-diazene n2h2  
202 N2H2 (Z)-Diazene n2h2z  
203 CH2NH Methanimine ch3n  
204 CHNH2 aminomethylene chnh2  
205 CH2PH Phosphaethene ch3p  
206 BH2NH2 Boranamine bh2nh2  
207 CH2NH2+ methyleneamine cation ch2nh2+  
208 N2H4 Hydrazine n2h4  
209 P2H4 Diphosphine p2h4  
210 CH3NH2 methyl amine ch3nh2  
211 CH3PH2 Methyl phosphine ch3ph2  
212 SiH3NH2 Silane, amino sih3nh2  
213 N2H5+ protonated hydrazine n2h5+  
214 BH3PH3 borane phosphine bh3ph3  
215 BH3NH3 borane ammonia bh3nh3  
216 CH3NH3+ protonated methylamine ch3nh3+  
217 CH3PH3+ methyl phosphine, protonated ch3ph3+  
218 NH3NH3 Ammonia Dimer nh3nh3  
219 N2H7+ ammonia ammonium dimer n2h7+  
220 NaO- sodium oxide anion nao-  
221 NaO+ sodium oxide cation nao+  
222 BeO beryllium oxide beo  
223 BeS beryllium sulfide bes  
224 MgO magnesium oxide mgo  
225 MgO- magnesium oxide anion mgo-  
226 MgO+ magnesium oxide cation mgo+  
227 CaO Calcium monoxide cao  
228 MgS magnesium sulfide mgs  
229 MgS- magnesium sulfide anion mgs-  
230 MgS+ magnesium sulfide cation mgs+  
231 CaS Calcium sulfide cas  
232 ZnO zinc monoxide zno  
233 ZnS Zinc sulfide zns  
234 BeS- Beryllium monosulfide anion bes-  
235 BeS+ Beryllium monosulfide cation bes+  
236 AlO- Aluminum monoxide anion alo-  
237 AlO+ aluminum monoxide cation alo+  
238 BS- boron monosulfide anion bs-  
239 BS+ boron monosulfide cation bs+  
240 AlS- aluminum monosulfide anion als-  
241 AlS+ aluminum monosulfide cation als+  
242 BO+ boron monoxide cation bo+  
243 CO Carbon monoxide co  
244 CS carbon monosulfide cs  
245 CS- carbon monosulfide anion cs-  
246 CS+ carbon monosulfide cation cs+  
247 SiO Silicon monoxide sio  
248 SiO- silicon monoxide anion sio-  
249 SiO+ silicon monoxide cation sio+  
250 SiS silicon monosulfide sis  
251 SiS- silicon monosulfide anion sis-  
252 SiS+ silicon monosulfide cation sis+  
253 CSe Carbon monoselenide cse  
254 CSe- Carbon monoselenide anion cse-  
255 CSe+ Carbon monoselenide cation cse+  
256 GeO Germanium monoxide geo  
257 GeS Germanium monosulfide ges  
258 SiSe Silicon Monoselenide sise  
259 GeSe Germanium monoselenide gese  
260 NO+ nitric oxide cation no+  
261 NS+ nitrogen sulfide cation ns+  
262 PO- phosphorus monoxide anion po-  
263 PO+ phosphorus monoxide cation po+  
264 PS- phosphorus monosulfide anion ps-  
265 PS+ phosphorus monosulfide cation ps+  
266 O2-- dioxygen dianion o2--  
267 SO- sulfur monoxide anion so-  
268 S2- sulfur diatomic anion s2-  
269 S2+ sulfur diatomic cation s2+  
270 SeO- selenium monoxide anion seo-  
271 SeO+ selenium monoxide cation seo+  
272 SeS Selenium monosulfide ses  
273 SeS- selenium monosulfide anion ses-  
274 SeS+ selenium monosulfide cation ses+  
275 Se2- selenium diatomic anion se2-  
276 Se2+ selenium diatomic cation se2+  
277 LiOH lithium hydroxide lioh  
278 NaOH sodium hydroxide naoh  
279 KOH Potassium hydroxide koh  
280 CaOH Calcium monohydroxide caoh  
281 HBO Boron hydride oxide hbo  
282 HBS hydrogen boron sulfide hbs  
283 COH+ Carbon Monoxide, protonated coh+  
284 HCS- Thioformyl anion hcs-  
285 HNS Sulfur imide hns  
286 HSO+ Sulfur Monoxide, S-protonated HSO+  
287 H2CO Formaldehyde h2co  
288 HOCH hydroxycarbene hoch  
289 H2CS Thioformaldehyde h2cs  
290 H2CSe Selenoformaldehyde h2cse  
291 H2O2 Hydrogen peroxide h2o2  
292 H2OO water oxide h2oo  
293 HOSH hydrogen thioperoxide hosh  
294 H2S2 Disulfane h2s2  
295 H2Se2 hydrogen diselenide h2se2  
296 CH2OH+ hydroxymethyl cation ch2oh+  
297 CH3O- methoxy anion ch3o-  
298 H2CSH+ Thioformaldehyde, protonated h2csh+  
299 NH2OH hydroxylamine nh2oh  
300 NH3O Ammonia Oxide nh3o  
301 H2POH Phosphinous acid h2poh  
302 H3PO Phosphine oxide h3po  
303 NH2SH Thiohydroxylamine nh2sh  
304 NH3S sulfidoazane nh3s  
305 H3O2+ hydrogen peroxide, protonated h3o2+  
306 CH3OH Methyl alcohol ch3oh  
307 CH3SH Methanethiol ch3sh  
308 SiH3OH silanol sih3oh  
309 CH3SeH Methane selenol ch3seh  
310 H2OH2O water dimer h2oh2o  
311 CH3OH2+ Methanol, protonated ch3oh2+  
312 CH3SH2+ protonated methylsulfide ch3sh2+  
313 H2ONH3 Water Ammonia Dimer h2onh3  
314 H5O2+ Dihydroxonium ion h5o2+  
315 LiF lithium fluoride lif  
316 LiCl lithium chloride licl  
317 LiCl- lithium chloride anion licl-  
318 LiCl+ lithium chloride cation licl+  
319 NaF sodium fluoride naf  
320 NaF- sodium fluoride anion naf-  
321 KF Potassium Fluoride kf  
322 NaCl Sodium Chloride nacl  
323 NaCl- sodium chloride anion nacl-  
324 NaCl+ sodium chloride cation nacl+  
325 KCl Potassium Chloride kcl  
326 CuF Copper monofluoride cuf  
327 LiBr Lithium Bromide libr  
328 LiBr- lithium bromide anion libr-  
329 LiBr+ lithium bromide cation libr+  
330 CuCl Copper monochloride cucl  
331 NaBr Sodium Bromide nabr  
332 NaBr- sodium bromide anion nabr-  
333 NaBr+ sodium bromide cation nabr+  
334 KBr Potassium Bromide kbr  
335 LiI Lithium Iodide lii  
336 NaI Sodium Iodide nai  
337 KI Potassium Iodide ki  
338 MgF- magnesium fluoride anion mgf-  
339 MgF+ magnesium fluoride cation mgf+  
340 CaF Calcium monofluoride caf  
341 MgCl- magnesium monochloride anion mgcl-  
342 MgCl+ magnesium monochloride cation mgcl+  
343 ZnF- Zinc monofluoride anion znf-  
344 ZnF+ Zinc monofluoride cation znf+  
345 BeCl- beryllium monochloride anion becl-  
346 BeCl+ beryllium monochloride cation becl+  
347 BF Boron monofluoride bf  
348 BF- Boron monofluoride anion bf-  
349 BF+ Boron monofluoride cation bf+  
350 AlF Aluminum monofluoride alf  
351 AlF- Aluminum monofluoride anion alf-  
352 AlF+ Aluminum monofluoride cation alf+  
353 BCl boron monochloride bcl  
354 BCl- boron monochloride anion bcl-  
355 BCl+ boron monochloride cation bcl+  
356 AlCl Aluminum monochloride alcl  
357 AlCl- aluminum monochloride anion alcl-  
358 AlCl+ aluminum monochloride cation alcl+  
359 ScF Scandium monofluoride scf  
360 BBr Boron monobromide bbr  
361 AlBr Aluminum monobromide albr  
362 AlI Aluminum monoiodide ali  
363 GaBr Gallium monobromide gabr  
364 CF+ carbon monofluoride cation cf+  
365 CCl- carbon monochloride anion ccl-  
366 CCl+ carbon monochloride cation ccl+  
367 SiF+ silicon monofluoride cation sif+  
368 SiCl- silicon monochloride anion sicl-  
369 SiCl+ silicon monochloride cation sicl+  
370 GeF+ Germanium monofluoride cation gef+  
371 GeCl+ Germanium monochloride cation gecl+  
372 NF- nitrogen monofluorine anion nf-  
373 NF+ nitrogen monofluoirde cation nf+  
374 PF phosphorus monofluoride pf  
375 PF- phosphorus monofluoride anion pf-  
376 PF+ phosphorus monofluoride cation pf+  
377 PCl phosphorus chloride pcl  
378 PCl- phosphorus monochloride anion pcl-  
379 PCl+ phosphorus monochloride cation pcl+  
380 SbF Antimony monofluoride sbf  
381 SbCl Antimony monochloride sbcl  
382 FO- flourine oxide anion fo-  
383 FO+ fluorine monoxide cation fo+  
384 ClO- chlorine monoxide anion clo-  
385 SF- sulfur monofluoride anion sf-  
386 SCl- sulfur monochloride anion scl-  
387 BrO- Bromine monoxide anion bro-  
388 BrCl Bromine monochloride brcl  
389 F2 Fluorine diatomic f2  
390 ClF- clorine monofluoride anion clf-  
391 Cl2 Chlorine diatomic cl2  
392 BrF Bromine monofluoride brf  
393 BrF- bromine fluoride anion brf-  
394 BrF+ bromine fluoride cation brf+  
395 BrCl- bromine chloride anion brcl-  
396 BrCl+ bromine chloride cation brcl+  
397 IF Iodine monofluoride if  
398 Br2 Bromine diatomic br2  
399 ICl Iodine monochloride icl  
400 IBr Iodine monobromide ibr  
401 I2 Iodine diatomic i2  
402 HCF Fluoromethylene hcf  
403 HCCl Chloromethylene hccl  
404 HSiF fluorosilylene hsif  
405 HSiCl Chlorosilylene hsicl  
406 HSiBr monobromosilylene hsibr  
407 CHBr bromomethylene chbr  
408 HOF Hypofluorous acid hfo  
409 DOCl Hypochlorous acid-d docl  
410 HOCl hypochlorous acid hocl  
411 HOBr Hypobromous acid hobr  
412 HOI Hypoiodous acid hoi  
413 F2H+ Fluorine, protonated f2h+  
414 FHF Hydrogen difluoride fhf  
415 ClFH+ Chlorine fluoride, F-protonated clfh+  
416 FClH+ Chlorine fluoride, Cl-protonated fclh+  
417 Cl2H+ Chlorine, protonated cl2h+  
418 CH2F+ fluoromethyl cation ch2f+  
419 CH2Cl+ chloromethyl cation ch2cl+  
420 NH2F monofluoroamine nh2f  
421 NH2Cl chloramine nh2cl  
422 H2F2 Hydrogen fluoride dimer h2f2  
423 CD3F methylfluoride-d3 cd3f  
424 CH3F Methyl fluoride ch3f  
425 CD3Cl methyl chloride d3 cd3cl  
426 CH3Cl Methyl chloride ch3cl  
427 SiH3F monofluorosilane sih3f  
428 SiH3Cl chlorosilane sih3cl  
429 GeH3F monofluorogermane geh3f  
430 GeH3Cl monochlorogermane geh3cl  
431 SiH3Br bromosilane sih3br  
432 CH3I methyl iodide ch3i  
433 SiH3I Silyl Iodide sih3i  
434 NH3Cl+ protonated monochloroammonia nh3cl+  
435 CH3ClH+ methyl chloride, protonated ch3clh+  
436 NH4Cl Ammonium chloride nh4cl  
437 LiNe+ Lithium Neon cation line+  
438 Ne2 Neon diatomic ne2  
439 Ar2 Argon diatomic ar2  
440 Li3+ Lithium trimer cation li3+  
441 SiC2 Silicon dicarbide sic2  
442 C3H3 Propargyl radical propargyl  
443 C3H3+ cyclopropenyl cation cpr+  
444 C3H4 cyclopropene cprop  
445 CH2CCH2 allene allene  
446 CH3CCH propyne propyne  
447 C3H5+ Allyl cation allyl+  
448 Zn(CH3)2 dimethyl zinc dmz  
449 C3H6 Cyclopropane c3h6  
450 CH2CHCH3 Propene propene  
451 C3H7+ cyclopropane, protonated c3h7+  
452 CH3CHCH3+ Isopropyl cation prop2yl+  
453 C3H8 Propane propane  
454 SiH2(CH3)2 dimethylsilane dms  
455 Si3H8 trisilane si3h8  
456 NaCN Sodium Cyanide nacn  
457 KCN Potassium cyanide kcn  
458 CuCN Copper cyanide cucn  
459 AlCN Aluminum monocyanide alcn  
460 AlNC Aluminum isocyanide alnc  
461 CN2 3H-Diazirin-3-ylidene cn2  
462 N3- azide anion n3-  
463 HCNN diazomethyl radical hcnn  
464 HNCNH diiminomethane hncnh  
465 CH2N2 diazirine ch2n2  
466 CH2NN diazomethane ch2nn  
467 NH2CN cyanamide cyanamide  
468 HNNNH+ 1,2-Triazadienium n2h3+  
469 NH2NN+ hydrazoic acid, protonated nh2nn+  
470 CH3CN Acetonitrile ch3cn  
471 CH3NC methyl isocyanide ch3nc  
472 CHNCH2 2H-Azirine c157164  
473 CHNHCH 1H-Azirine chnhch  
474 H2CCNH Ethenimine ch2cnh  
475 H2CNCH methyleneaminomethylene ch2nch  
476 HCCNH2 Ethynamine hccnh2  
477 HNCNH2+ diiminomethane, protonated hncnh2+  
478 NCNH3+ Cyanamide, protonated ncnh3+  
479 NH2CNH+ cyanamide, cn protonated nh2cnh+  
480 NH3CN+ cyanamide, amine protonated nh3cn+  
481 NHCHNH2 aminomethanimine cn2h4  
482 C2H5N Aziridine c2h5n  
483 CH2CHNH2 aminoethene aminoethene  
484 CH2NCH3 N-methylmethanimine nmm  
485 CH3CHNH ethanimine ethanimine  
486 NH2BHNH2 diaminoborane nh2bhnh2  
487 C2H5NH+ Protonated Aziridine c2h5nh+  
488 C2H6N+ aziridine, protonated c2h6n+  
489 NH2CH2NH2 diaminomethane nh2ch2nh2  
490 CH3CH2NH2 Ethylamine etam  
491 CH3NHCH3 Dimethylamine ch3nhch3  
492 CH3PHCH3 dimethylphosphine ch3phch3  
493 NH2CH2NH3+ diaminoethane, protonated pdam  
494 (CH3)2NH2+ dimethylammonium cation dmam  
495 CH3CH2NH3+ ethylamine, protonated pea  
496 Li2O dilithium oxide li2o  
497 Li2S dilithium sulfide li2s  
498 Na2O disodium monoxide na2o  
499 Na2S Sodium sulfide na2s  
500 CNO- fulminate cno-  
501 NCO- cyanate nco-  
502 SCN- thiocyanide anion scn-  
503 BO2- Boron dioxide anion bo2-  
504 NNS Nitrogen sulfide nns  
505 PPO Phosphorus oxide phosphide ppo  
506 CO2 Carbon dioxide co2  
507 OCS Carbonyl sulfide cos  
508 SiO2 silicon dioxide sio2  
509 CS2 Carbon disulfide cs2  
510 TiO2 Titanium dioxide tio2  
511 SiS2 Silicon disulfide sis2  
512 GeO2 Germanium dioxide geo2  
513 OCSe Carbonyl selenide ocse  
514 SCSe Carbon sulfide selenide scse  
515 GeS2 Germanium disulfide ges2  
516 CSe2 Carbon diselenide cse2  
517 SCTe Carbon sulfide Telluride scte  
518 PO2- Phosphorus dioxide anion po2-  
519 O3 Ozone o3  
520 SSO Disulfur monoxide sso  
521 S3 Sulfur trimer s3  
522 SeO2 Selenium dioxide seo2  
523 TeO2 Tellurium Dioxide teo2  
524 CS2H+ Carbon disulfide, protonated cs2h+  
525 HCNO fulminic acid hcno  
526 HNCO Isocyanic acid hnco  
527 HOCN cyanic acid hocn  
528 HNCS Isothiocyanic acid hncs  
529 HSCN thiocyanic acid hscn  
530 HCO2- formate anion hco2-  
531 HNNO nitrosoazane hnno  
532 HNNO+ Nitrous oxide, N-protonated hnno+  
533 NNOH+ Nitrous Oxide, O-protonated nnoh+  
534 HNO2 Nitrous acid hno2  
535 O3H+ protonated ozone o3h+  
536 SO2H+ protonated sulfur dioxide so2h+  
537 C2H2O Oxirene oxirene  
538 CH2CO Ketene ch2co  
539 HCCOH ethynol hccoh  
540 CH2CS Thioketene ch2cs  
541 Be(OH)2 Beryllium hydroxide beo2h2  
542 Mg(OH)2 Magnesium dihydroxide h2mgo2  
543 NH2NO Nitrosamide nh2no  
544 CH2O2 Dioxirane diox  
545 H2COO Dioxymethyl radical h2coo  
546 H2COO+ dioxymethyl cation h2coo+  
547 HCOOH Formic acid ch2o2  
548 H2O3 Hydrogen trioxide h2o3  
549 HSSSH trisulfane hsssh  
550 NaOCH3 Sodium methoxide naoch3  
551 CH2BOH hydroxy(methylene)borane ch2boh  
552 BH3CO Borane carbonyl bh3co  
553 CH3BO Borane, methyloxo- ch3bo  
554 CH2COH+ ketene, protonated ch2coh+  
555 CH3CO- Acetyl anion ch3co-  
556 CH3CO+ acetyl cation ch3co+  
557 CH2NOH formaldoxime ch2noh  
558 CH3NO nitrosomethane ch3no  
559 CHONH2 formamide formamide  
560 CNOH3 1,2-oxaziridine cnoh3  
561 HOCHNH hydroxymethylimine hochnh  
562 CHSNH2 thioformamide chsnh2  
563 NHCHSH Methanimidothioic acid nhchsh  
564 CH3OO- methylperoxy anion ch3oo-  
565 C2H4O Ethylene oxide c2h4o  
566 CH2CHOH ethenol ch2choh  
567 CH3CHO Acetaldehyde ch3cho  
568 C2H4S Thiirane thiirane  
569 CH2CHSH Ethenethiol ch2chsh  
570 CH3CHS Thioacetaldehyde ch3chs  
571 H2CONH2+ protonated formamide h2conh2+  
572 NH2CHOH+ Formamide, O-protonated nh2choh+  
573 NH3CHO+ Formamide, N-Protonated nh3cho+  
574 CH2(OH)2 methanediol ch2o2h2  
575 CH3OOH Methyl peroxide ch3ooh  
576 CH3SSH Hydrogen methyl disulfide ch3ssh  
577 HSCH2SH Methanedithiol ch4s2  
578 H2OH2CO water formaldehyde dimer h2oh2co  
579 C2H4OH+ ethylene oxide, protonated c2h4oh+  
580 CH3CHOH+ acetaldehyde, protonated ch3choh+  
581 NH2CH2OH aminomethanol nh2ch2oh  
582 CH3CH2OH Ethanol etoh  
583 CH3OCH3 Dimethyl ether meome  
584 CH3SCH3 Dimethyl sulfide mesme  
585 CH3SeCH3 dimethylselenide dmse  
586 CH3OHH2O methanol water dimer ch3ohh2o  
587 H2OCH3OH water methanol dimer h2och3oh  
588 CNF iso cyanogen fluoride cnf  
589 FCN Cyanogen fluoride fcn  
590 ClCN chlorocyanogen clcn  
591 BrCN Cyanogen bromide brcn  
592 FBO Boron monofluoride monoxide fbo  
593 BeF2 Beryllium fluoride bef2  
594 MgF2 Magnesium fluoride mgf2  
595 BeCl2 Beryllium chloride becl2  
596 MgCl2 Magnesium dichloride mgcl2  
597 CaCl2 Calcium Chloride cacl2  
598 ZnCl2 Zinc dichloride zncl2  
599 BeBr2 Beryllium bromide bebr2  
600 CaBr2 Calcium dibromide cabr2  
601 CaF2 Calcium difluoride caf2  
602 FCO+ Carbonyl fluoride cation fco+  
603 FNO Nitrosyl fluoride fno  
604 ClNO Nitrosyl chloride clno  
605 FNS Thionitrosyl fluoride fns  
606 FSN Thiazyl fluoride fsn  
607 OPCl Phosphorus oxychloride opcl  
608 INO Nitrosyl iodide ino  
609 CF2 Difluoromethylene cf2  
610 CFCl chlorofluoromethylene cfcl  
611 CCl2 dichloromethylene ccl2  
612 SiCl2 Dichlorosilylene sicl2  
613 GeF2 Germanium difluoride gef2  
614 GeCl2 Germanium dichloride gecl2  
615 CBr2 dibromomethylene cbr2  
616 PF2+ Phosphorus difluoride cation pf2+  
617 FClO chlorosyl fluoride fclo  
618 F2O Difluorine monoxide f2o  
619 ClOF Chlorine hypofluorite clof  
620 SF2 sulfur difluoride sf2  
621 Cl2O Dichlorine monoxide cl2o  
622 SCl2 Sulfur dichloride scl2  
623 SeF2 Selenium difluoride sef2  
624 SeCl2 Selenium Dichloride secl2  
625 SBr2 Sulfur dibromide sbr2  
626 SeBr2 Selenium dibromide sebr2  
627 F3- trifluoride anion f3-  
628 Cl3- trichloride anion cl3-  
629 Br3- tribromide anion br3-  
630 SFCl Sulfur chloride fluoride sfcl  
631 HCCF Fluoroacetylene hccf  
632 HCCCl Chloroacetylene hcccl  
633 HCCBr bromoacetylene hccbr  
634 HFCO formyl fluoride hfco  
635 BHF2 Difluoroborane bhf2  
636 BHCl2 Borane, dichloro- bhcl2  
637 CHF2+ difluoromethyl cation chf2+  
638 CHFCl+ Chlorofluoromethyl cation chfcl+  
639 CHCl2+ dichloromethyl cation chcl2+  
640 HOClO Chlorous acid hoclo  
641 NHF2 difluoramine nhf2  
642 NHCl2 dichloroamine nhcl2  
643 CH2F2 Methane, difluoro- ch2f2  
644 CH2FCl fluorochloromethane ch2fcl  
645 SiH2F2 difluorosilane sih2f2  
646 CH2Cl2 Methylene chloride ch2cl2  
647 CH2BrF Methane, bromofluoro- ch2fbr  
648 CH2BrCl Methane, bromochloro- ch2clbr  
649 CH2FI fluoroiodomethane ch2fi  
650 CH2Br2 dibromomethane ch2br2  
651 CH2ClI chloroiodomethane ch2cli  
652 CH2BrI bromoiodomethane ch2bri  
653 CH2I2 Diiodomethane ch2i2  
654 SiH2Cl2 dichlorosilane sih2cl2  
655 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
656 CH2CHF+ fluoroethene cation ch2chf+  
657 C2H3Cl Ethene, chloro- ch2chcl  
658 C2H3Br vinyl bromide c2h3br  
659 C2H3I Vinyl iodide c2h3i  
660 CH2FOH fluoromethanol ch2foh  
661 C2H5F fluoroethane c2h5f  
662 CH3CH2Cl Ethyl chloride c2h5cl  
663 CH3SiFH2 fluoromethylsilane ch3sifh2  
664 C2H5Br Ethyl bromide etbr  
665 C2H5I Ethyl iodide c2h5i  
666 KrF2 Krypton difluoride krf2  
667 XeF2 Xenon difluoride xef2  
668 B4H10 Tetraborane(10) b4h10  
669 C4+ Carbon tetramer cation c4+  
670 C4H2 Diacetylene c4h2  
671 C2H3CCH 1-Buten-3-yne c2h3cch  
672 C4H4 cyclobutadiene cbd  
673 C4H4 Tetrahedrane c4h4  
674 H2CCCCH2 Butatriene h2cccch2  
675 C4H6 1-Methylcyclopropene c3100047  
676 C4H6 Cyclobutene c822355  
677 C4H6 Methylenecyclopropane c6142730  
678 CH2CCHCH3 1,2-Butadiene butad12  
679 CH2CHCHCH2 1,3-Butadiene c106990  
680 CH3CCCH3 2-Butyne c503173  
681 CHCCH2CH3 1-Butyne c107006  
682 C4H8 methylcyclopropane mcp  
683 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
684 CH2CHCH2CH3 1-Butene bute1  
685 CH3CHCHCH3 2-Butene, (E)- bute2e  
686 CH3CHCHCH3 2-Butene, (Z)- bute2z  
687 B(CH3)3 trimethylborane bme3  
688 Al(CH3)3 trimethyl aluminum tma  
689 CH3CH(CH3)CH3 Isobutane isobutane  
690 CH3CH2CH2CH3 Butane butane  
691 SiH(CH3)3 trimethylsilane trimsi  
692 Li3N trilithium nitride li3n  
693 C2N2 Cyanogen c2n2  
694 P4 Phosphorus tetramer p4  
695 As4 Arsenic tetramer as4  
696 HCCCN Cyanoacetylene hcccn  
697 H2CNCN cyanamide, methylene ch2ncn  
698 HNCCNH Ethenediimine hnccnh  
699 C3H3N acrylonitrile ch2chcn  
700 CH3N3 methyl azide ch3n3  
701 NH2CH2CN Aminoacetonitrile aan  
702 CH3NHN2+ methyl azide, protonated ch3nhn2+  
703 C2H5CN ethyl cyanide c2h5cn  
704 CH5N3 Guanidine guanidine  
705 C4H6 Bicyclo[1.1.0]butane c157335  
706 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
707 H2NCHCHNH2 diaminoethylene dae  
708 CH6N3+ guanidinium ch6n3+  
709 C3H7N Cyclopropylamine cpram  
710 CH7N3 triaminomethane tam  
711 C3H7N Azetidine azet  
712 C4H8 cyclobutane cbutane  
713 C2H8N2 Ethylenediamine ethdiam  
714 CH3NHNHCH3 dimethyl hydrazine dmh  
715 CH3CH(NH2)CH3 2-Propanamine pram2  
716 N(CH3)3 Trimethylamine trimeam  
717 NH2CH2CH2CH3 1-Propanamine pram1  
718 P(CH3)3 trimethylphosphine tmp  
719 N(SiH3)3 trisilylamine tsa  
720 As(CH3)3 trimethyl arsine tmas  
721 (CH3)3NH+ protonated trimethyl amine ptma  
722 C3H7NH3+ n-propylamine, protonated c3h7nh2  
723 Li2O2 dilithium dioxide li2o2  
724 Na2O2 disodium dioxide na2o2  
725 K2O2 dipotassium dioxide k2o2  
726 C3O Tricarbon monoxide c3o  
727 B2O2 Diboron dioxide b2o2  
728 ONNO NO dimer onno  
729 S2N2 Disulfur dinitride s2n2  
730 CO3 Carbon trioxide co3  
731 CO3-- carbonate co3--  
732 CS3-- Carbonotrithioate cs3--  
733 NO3- nitrate anion no3-  
734 SO3 Sulfur trioxide so3  
735 SO3-- Sulfate dianion so3--  
736 SeO3 selenium trioxide seo3  
737 S4 Sulfur tetramer s4  
738 TeO3 Tellurium trioxide teo3  
739 HCO3- bicarbonate anion hco3-  
740 HNO3 Nitric acid hno3  
741 NH2NO2 nitramide nh2no2  
742 C2H2CO cyclopropenone c2h2co  
743 C3H2O Propadienal c3h2o  
744 HCCCHO 2-propynal hcccho  
745 C2H2O2+ Ethanedial cation c2h2o2+  
746 H2CO3 Carbonic acid h2co3  
747 H2CS3 thiocarbonic acid h2cs3  
748 H2NO3+ Nitric Acid, Protonated h2no3+  
749 H2SO3 Sulfurous acid h2so3  
750 C2H3NO Nitrosoethylene c2h3no  
751 CH3NCO methylisocyante ch3nco  
752 HOCH2CN cyanomethanol hoch2cn  
753 CH3COO- acetate anion ch3coo-  
754 CH3NO2 Methane, nitro- ch3no2  
755 CH3ONO Methyl nitrite ch3ono  
756 NH2COOH Carbamic acid nh2cooh  
757 H3BO3 Boric acid h3bo3  
758 H3AlO3 Aluminum hydroxide h3alo3  
759 H3CO3+ carbonic acid, protonated h3co3+  
760 C3H4O 2-Propyn-1-ol c107197  
761 C3H4O allenol c9000071  
762 C3H4O Cyclopropanone cpone  
763 C3H4O Methylketene c6004440  
764 CH2CHCHO Acrolein c3h4o  
765 NH2CONH2 Urea urea  
766 NH2CONH2+ Urea cation urea+  
767 NH2CSNH2 Thiourea thiourea  
768 C2H4O2 1,3-dioxetane c2h4o2  
769 CH3COOH Acetic acid ch3cooh  
770 CH3OCHO methyl formate ch3ocho  
771 CHOCH2OH hydroxy acetaldehyde haa  
772 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
773 NH3COOH+ protonated Carbamic acid nh3cooh+  
774 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
775 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
776 HCOOHH2O Formic acid water dimer hcoohh2o  
777 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
778 CH2C(OH)NH2 1-amino vinyl alchohol ava  
779 CH3C(OH)=NH Ethaninidic acid eia  
780 CH3CHNOH Acetaldoxime acetaldoxime  
781 CH3CONH2 Acetamide acetamide  
782 HCONHCH3 N-methylformamide nmfa  
783 CH3CSNH2 Ethanethioamide ch3csnh2  
784 CH5N2O+ urea, N-protonated ch4n2o+  
785 H2NCOHNH2+ urea, protonated ureah+  
786 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
787 C3H5OH Cyclopropanol cproh  
788 C3H6O 2-Propen-1-ol c107186  
789 C3H6O Acetone enol enol  
790 C3H6O Oxetane oxetane  
791 C3H6O Propylene oxide prox  
792 CH3CH2CHO Propanal propanal  
793 CH3COCH3 Acetone acetone  
794 C3H6S Thietane thietane  
795 C3H6S Thiirane, methyl- methiirane  
796 CH3CSCH3 Thioacetone ch3csch3  
797 C2H6O2 1,2-Ethanediol ethdiol  
798 CH3OOCH3 dimethylperoxide dmp  
799 CH3SOCH3 Dimethyl sulfoxide dmso  
800 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
801 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
802 CH3COHCH3+ acetone, protonated acetoneh+  
803 HOCH2CH2NH2 monoethanolamine mea  
804 C3H7OH 1-Propanol proh  
805 CH3CHOHCH3 Isopropyl alcohol isoproh  
806 CH3OC2H5 Ethane, methoxy- etome  
807 C3H7SH 1-Propanethiol prsh  
808 CH3CHSHCH3 2-Propanethiol isoprsh  
809 CH3SCH2CH3 Ethane, (methylthio)- etsme  
810 H2OCH3OCH3 water dimethylether dimer h2och3och3  
811 Li2F2 Lithium fluoride dimer li2f2  
812 Na2F2 Sodium Fluoride Dimer na2f2  
813 Na2Cl2 Disodium dichloride na2cl2  
814 C2F2 difluoroacetylene c2f2  
815 C2Cl2 dichloroacetylene c2cl2  
816 FNO2 Nitryl fluoride fno2  
817 FONO Nitrosyl hypofluorite fono  
818 ClNO2 Nitryl chloride clno2  
819 ClONO chlorine nitrite clono  
820 N2F2 (Z)-Difluorodiazene n2f2_z  
821 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
822 CF2O Carbonic difluoride f2co  
823 CCl2O Phosgene cl2co  
824 Cl2CS Thiophosgene cl2cs  
825 BF3 Borane, trifluoro- bf3  
826 AlF3 Aluminum trifluoride alf3  
827 BClF2 Chlorodifluoroborane bclf2  
828 AlF2Cl Aluminum chloride difluoride alclf2  
829 ScF3 Scandium trifluoride ScF3  
830 AlFCl2 Aluminum dichloride fluoride alcl2f  
831 BCl3 Borane, trichloro- bcl3  
832 GaF3 Gallium trifluoride gaf3  
833 AlCl3 Aluminum trichloride alcl3  
834 GaCl3 Gallium trichloride gacl3  
835 BBr3 Boron tribromide bbr3  
836 AlBr3 Aluminum Bromide albr3  
837 ClO3 Chlorine trioxide clo3  
838 ClO3- chlorate anion clo3-  
839 BrO3- Bromate anion bro3-  
840 SiCl3 trichlorosilyl radical sicl3  
841 SiCl3+ trichlorosilyl cation sicl3+  
842 FOOF Perfluoroperoxide foof  
843 ClO2F Chloryl fluoride clo2f  
844 F2SO Thionyl Fluoride f2so  
845 ClOOCl Dichlorine dioxide cloocl  
846 FSSF Difluorodisulfane fssf  
847 S2F2 Thio-thionyl fluoride s2f2  
848 SOCl2 thionyl chloride socl2  
849 SSCl2 Thiothionyl chloride sscl2  
850 SeOCl2 selenium oxychloride seocl2  
851 PF3 Phosphorus trifluoride pf3  
852 NCl3 nitrogen trichloride ncl3  
853 AsF3 Arsenic trifluoride asf3  
854 PCl3 Phosphorus trichloride pcl3  
855 SbF3 Antimony Trifluoride sbf3  
856 AsCl3 Arsenous trichloride ascl3  
857 SbCl3 Antimony Trichloride sbcl3  
858 NBr3 Nitrogen Tribromide nbr3  
859 PBr3 Phosphorus tribromide pbr3  
860 AsBr3 Arsenic tribromide asbr3  
861 NI3 Nitrogen triiodide ni3  
862 PI3 Phosphorus triiodide pi3  
863 ClSSCl Disulfur dichloride s2cl2  
864 ClF3 Chlorine trifluoride clf3  
865 BrF3 Bromine trifluoride brf3  
866 IF3 iodone trifluoride if3  
867 HClO3 Chloric Acid hclo3  
868 CHF3 Methane, trifluoro- chf3  
869 CHF2Cl difluorochloromethane chf2cl  
870 SiHF3 trifluorosilane sihf3  
871 CHFCl2 fluorodichloromethane chfcl2  
872 CDCl3 trichloromethane-d cdcl3  
873 CHCl3 Chloroform chcl3  
874 SiHCl3 Trichlorosilane sihcl3  
875 CHFClBr fluorochlorobromomethane chfclbr  
876 CHF2I difluoroiodomethane chf2i  
877 CHBr2F dibromofluoromethane chbr2f  
878 CHFClI fluorochloroiodomethane chfcli  
879 CHCl2I dichloroiodomethane chcl2i  
880 CHBr3 bromoform chbr3  
881 CHI3 Iodoform chi3  
882 NF3H+ protonated nitrogen trifluoride nf3h+  
883 AsF3H+ Arsenic trifluoride, protonated asf3h+  
884 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
885 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
886 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
887 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
888 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
889 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
890 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
891 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
892 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
893 C2H2Br2 1,1-dibromoethene c2h2br2  
894 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
895 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
896 CH2FCHO Fluoroacetaldehyde ch2fcho  
897 CH3COF Acetyl fluoride ch3cof  
898 CH3COCl Acetyl Chloride ch3cocl  
899 C2H4F2 1,2-difluoroethane c2h4f2  
900 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
901 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
902 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
903 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
904 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
905 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
906 CH2CFCH3 2-fluoropropene 2fpro  
907 CH2CHCH2F Allyl Fluoride allylf  
908 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
909 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
910 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
911 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
912 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
913 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
914 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
915 CH2FCH2CH3 1-Fluoropropane prf1  
916 CH3CHFCH3 2-Fluoropropane prf2  
917 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
918 CH3CHClCH3 Propane, 2-chloro- prcl2  
919 C3H9O+ trimethyl oxonium cation c3h9o+  
920 B5H9 pentaborane9 b5h9  
921 C5H4 pentatetraene ptrene  
922 C5H5- cylopentadienyl anion c5h5-  
923 C5H6 1,3-Cyclopentadiene c542927  
924 C5H6 1-Buten-3-yne, 2-methyl- c78808  
925 C5H6 3-Penten-1-yne, (E)- c2004695  
926 C5H6 3-Penten-1-yne, (Z)- c1574409  
927 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
928 C5H6 Cyclopropylacetylene c6746947  
929 C5H6 Propellane propellane  
930 C5H7 1,3-pentadienyl radical pdyl  
931 C5H8 1,2-Butadiene, 3-methyl- c598254  
932 C5H8 1,2-Pentadiene c591957  
933 C5H8 1,3-Butadiene, 2-methyl- c78795  
934 C5H8 1,3-Pentadiene, (E)- c2004708  
935 C5H8 1,3-Pentadiene, (Z)- c1574410  
936 C5H8 1,4-Pentadiene c591935  
937 C5H8 1-pentyne a1pentyne  
938 C5H8 2,3-Pentadiene c591968  
939 C5H8 Bicyclo[1.1.1]pentane bcp  
940 C5H8 Cyclobutane, methylene- c1120565  
941 C5H8 Cyclopentene c142290  
942 C5H8 Ethenylcyclopropane c693867  
943 CH3CCCH2CH3 2-Pentyne 2pentyne  
944 C5H10 1-Butene, 2-methyl- c563462  
945 C5H10 2-Butene, 2-methyl- c513359  
946 C5H10 2-Pentene, (E)- c646048  
947 C5H10 2-Pentene, (Z)- c627203  
948 C5H10 Cyclopentane c287923  
949 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
950 CH2CHCH2CH2CH3 1-pentene pentene  
951 C5H12 Butane, 2-methyl- buta2  
952 C5H12 Pentane pentane  
953 C5H12 Propane, 2,2-dimethyl- neopentane  
954 Si(CH3)4 tetramethylsilane tms  
955 N2O3 Dinitrogen trioxide n2o3  
956 C3H2N2 Malononitrile c3h2n2  
957 CH2N4 1H-Tetrazole 1htz  
958 C3H3N2- imidizolyl anion im-  
959 C2H3N3 1H-1,2,4-Triazole c288880  
960 C4H4N- pyrrolide anion c4h4n-  
961 C3H4N2 1H-Imidazole 1himidaz  
962 C3H4N2 1H-Pyrazole 1hpyraz  
963 C3H4N2 2H-Imidazole imid2h  
964 C3H4N2 4H-Imidazole imid4h  
965 C4H5N (E)-2-Butenenitrile c627269  
966 C4H5N (Z)-2-Butenenitrile c1190767  
967 C4H5N 2H-pyrrole pyrrole2  
968 C4H5N 3H-pyrrole pyrrole3  
969 C4H5N Cyclopropanecarbonitrile c5500210  
970 C4H5N Pyrrole pyrrole  
971 CH2CHCH2CN Allylcyanide ch2chch2cn  
972 C4H6N+ pyrrole, alpha-protonated appyr  
973 C4H6N+ pyrrole, beta-protonated bppyr  
974 C4H6N+ pyrrole, protonated ppyr  
975 C3H6N2 3-Aminopropionitrile c151188  
976 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
977 CH3CH2CH2CN Butanenitrile c109740  
978 C5H8 Bicyclo[2.1.0]pentane c185944  
979 C5H8 Spiropentane c157404  
980 C4H9N Cyclobutylamine cbam  
981 C4H9N Pyrrolidine pyrrolidine  
982 C3H10N2 1,2-Diaminopropane diampr12  
983 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
984 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
985 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
986 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
987 NH(C2H5)2 diethylamine dea  
988 NC4H12+ tetramethyl ammonium cation nc4h12+  
989 C3O2 Carbon suboxide c3o2  
990 B2O3 diboron trioxide b2o3  
991 MgCO3 Magnesium Carbonate mgco3  
992 BeCO3 Beryllium Carbonate beco3  
993 CaCO3 Calcium Carbonate caco3  
994 ONONO Nitrosyl nitrite onono  
995 PO4--- phosphate po4---  
996 SO4-- sulfate so4--  
997 HOONO2 peroxy nitric acid hoono2  
998 HSO4- bisulfate anion hso4-  
999 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1000 C3H2O2 Propiolic acid c3h2o2  
1001 CHOCOOH oxo acetic acid oaa  
1002 CHOOCHO diformyl ether choocho  
1003 H2SO4 Sulfuric acid h2so4  
1004 H2SeO4 Selenic acid h2seo4  
1005 C3H3NO Isoxazole isox  
1006 C3H3NO Oxazole oxazole  
1007 C3H3NS Thiazole thiazole  
1008 CH3C(O)OO acetyl peroxy radical ch3coo2  
1009 CH3NO3 Methyl nitrate ch3no3  
1010 H3PO4 Phosphoric Acid h3po4  
1011 C4H4O Furan furan  
1012 C4H4O+ Furan cation furan+  
1013 CH3COCCH 3-butyn-2-one c1423605  
1014 C4H4S Thiophene furans  
1015 C4H4Se selenophene c4h4se  
1016 C3H4O2 β–Propiolactone beta  
1017 C3H4O2 2-Propenoic acid propenoic2  
1018 C3H4O2 Methyl glyoxal megly  
1019 C3H4O2 propanedial propanedial  
1020 C3H4O2 propenalol propenalol  
1021 HOCHCCHOH allenediol aldiol  
1022 C2H4O3 1,2,3-trioxolane c2h4o3  
1023 C2H4O3 trioxolane124 triox  
1024 HOCH2COOH Hydroxyacetic acid hac  
1025 CH2CHCONH2 Acrylamide c79061  
1026 CH3OCH2CN Methoxyacetonitrile c1738369  
1027 CH5N3S Hydrazinecarbothioamide c79196  
1028 H2NCH2COOH Glycine glycine  
1029 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1030 C4H6O cis-2-butenal butenal2c  
1031 C4H6O Cyclobutanone cbutone  
1032 C4H6O Furan, 2,3-dihydro- furan23h  
1033 C4H6O Furan, 2,5-dihydro- furan25h  
1034 CH2CHOCHCH2 Vinyl ether vinylether  
1035 CHOCHCHCH3 2-Butenal butenal2  
1036 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1037 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1038 CH2CHSCHCH2 Divinyl sulfide divis  
1039 C2H6N2O Urea, methyl- c598505  
1040 C3H6O2 1,3-Dioxolane dioxolane  
1041 CH3CH2COOH Propanoic Acid propanoic  
1042 CH3COOCH3 methyl acetate aame  
1043 HCOOC2H5 Ethyl formate faee  
1044 C2H6O2S Dimethyl sulfone c67710  
1045 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1046 C3H7NO dimethylformamide dmf  
1047 C3H7NO Propanamide propanam  
1048 C2H3OC2H5 Ethene, ethoxy- c109922  
1049 C4H8O Cyclobutanol c2919235  
1050 C4H8O Furan, tetrahydro- thf  
1051 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1052 CH3COCH2CH3 2-Butanone buta2one  
1053 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1054 CHOCH2CH2CH3 Butanal butanal  
1055 C4H8S Thiophene, tetrahydro- tht  
1056 C3H8O2 1,3-Propanediol c504632  
1057 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1058 C3H8O2 Methane, dimethoxy- c109875  
1059 C3H8O2 Propylene glycol c57556  
1060 C3H8S2 1,3-Propanedithiol c109808  
1061 C4H10O 1-Butanol butanol1  
1062 C4H10O 1-Propanol, 2-methyl- c78831  
1063 C4H10O 2-Butanol, (.+/-.)- butanol2  
1064 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1065 C4H10O Ethoxy ethane etoet  
1066 C4H10O Methyl propyl ether meopr  
1067 C4H10O Propane, 2-methoxy- c598538  
1068 C4H10O+ 1-Butanol cation butanol1+  
1069 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1070 C2H5SC2H5 Diethyl sulfide etset  
1071 C4H9SH 1-Butanethiol bush  
1072 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1073 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1074 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1075 FNO3 Fluorine nitrate fno3  
1076 ClONO2 Chlorine nitrate clono2  
1077 BrONO2 Bromine nitrate brono2  
1078 TiCl4 Titanium tetrachloride ticl4  
1079 ClO4- perchlorate anion clo4-  
1080 BF4- tetrafluoroboron anion bf4-  
1081 ClFO3 Perchloryl fluoride clfo3  
1082 SO2F2 Sulfuryl fluoride so2f2  
1083 SO2Cl2 Sulfuryl chloride so2cl2  
1084 F3NO Nitrogen trifluoride oxide f3no  
1085 F3PO Phosphoryl fluoride pf3o  
1086 Cl3PO Phosphoryl chloride pcl3o  
1087 CF4 Carbon tetrafluoride cf4  
1088 CF3Cl Methane, chlorotrifluoro- cf3cl  
1089 SiF4 Silicon tetrafluoride sif4  
1090 CF2Cl2 difluorodichloromethane cf2cl2  
1091 TiF4 Titanium tetrafluoride tif4  
1092 CFCl3 Trichloromonofluoromethane cfcl3  
1093 CF3Br Bromotrifluoromethane cf3br  
1094 GeF4 Germanium tetrafluoride gef4  
1095 CCl4 Carbon tetrachloride ccl4  
1096 CCl4+ Carbon tetrachloride cation ccl4+  
1097 SiCl4 Silane, tetrachloro- sicl4  
1098 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1099 CF3I trifluoroiodomethane cf3i  
1100 CBrCl3 Methane, bromotrichloro- cbrcl3  
1101 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1102 GeCl4 Germanium Tetrachloride gecl4  
1103 CBr2ClF dibromochlorofluoromethane cbr2clf  
1104 CBr2Cl2 dibromodichloromethane cbr2cl2  
1105 CCl3I trichloroiodomethane ccl3i  
1106 CFBr3 fluorotribromomethane cfbr3  
1107 CFClBrI fluorochlorobromoiodomethane cfclbri  
1108 CBr3Cl tribromochloromethane cbr3cl  
1109 CF2I2 difluorodiiodomethane cf2i2  
1110 CCl2I2 dichlorodiiodomethane ccl2i2  
1111 SiBr4 Silicon tetrabromide sibr4  
1112 CBr3I tribromoiododmethane cbr3i  
1113 GeBr4 Germanium tetrabromide gebr4  
1114 CI4 tetraiodomethane ci4  
1115 SiI4 silicon tetraiodide sii4  
1116 ClOF3 Chlorine trifluoride oxide clof3  
1117 SF4 Sulfur tetrafluoride sf4  
1118 SeF4 Selenium tetrafluoride sef4  
1119 SCl4 Sulfur tetrachloride scl4  
1120 C2HF3 Trifluoroethylene c2hf3  
1121 CHClCCl2 Trichloroethylene chclccl2  
1122 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1123 HClO4 perchloric acid hclo4  
1124 HSO3F Fluorosulfonic acid hso3f  
1125 CF3OH trifluoromethanol cf3oh  
1126 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1127 CHClCCHCl 1,3-dichloroallene chclcchcl  
1128 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1129 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1130 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1131 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1132 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1133 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1134 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1135 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1136 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1137 NH3BCl3 Amminetrichloroboron nh3bcl3  
1138 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1139 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1140 C3H5ClO Oxirane, (chloromethyl)- c106898  
1141 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1142 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1143 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1144 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1145 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1146 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1147 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1148 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1149 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1150 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1151 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1152 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1153 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1154 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1155 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1156 C4H9F 1-fluorobutane butaf1  
1157 CH3CHFCH2CH3 2-fluorobutane butaf2  
1158 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1159 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1160 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1161 C2H2N2O Furazan furazan  
1162 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1163 NH3BF3 Amminetrifluoroboron nh3bf3  
1164 C6H2 hexatriyne c6h2  
1165 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1166 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1167 C6H4 Benzyne benzyne  
1168 C6H5- phenyl anion phenyl-  
1169 C6H6 Prismane prismane  
1170 C6H6 1,2,4,5-Hexatetraene ht1245  
1171 C6H6 2,4-Hexadiyne hexadiyne  
1172 C6H6 3,4-Dimethylenecyclobutene cb34m  
1173 C6H6 Benzene benzene  
1174 C6H6 Benzvalene bv  
1175 C6H6 Dewar Benzene dewar  
1176 C6H6 Hexa-1,5-diene-3-yne hdy153  
1177 C6H6 Trimethylenecycopropane tmcp  
1178 C6H6+ Benzene cation c6h6+  
1179 C6H7+ benzene, protonated c6h7+  
1180 C6H8 (E)-hexa-1,3,5-triene c821078  
1181 C6H8 (E)-hexa-2,3,4-triene c59660650  
1182 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1183 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1184 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1185 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1186 C6H8 3-Methylenecyclopentene c930267  
1187 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1188 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1189 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1190 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1191 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1192 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1193 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1194 C6H10 1,5-Hexadiene c592427  
1195 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1196 C6H10 1-Hexyne hexyne1  
1197 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1198 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1199 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1200 C6H10 2-Hexyne c764352  
1201 C6H10 3-Hexyne hexyne3  
1202 C6H10 cyclohexene cyclohexene  
1203 C6H10 Cyclopentene, 1-methyl- c693890  
1204 C6H10 Cyclopentene, 3-methyl- c1120623  
1205 C6H10 Cyclopentene, 4-methyl- c1759815  
1206 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1207 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1208 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1209 C6H12 (E)-2-Hexene e2hexene  
1210 C6H12 (E)-3-methylpent-2-ene c616126  
1211 C6H12 (E)-hex-3-ene e3hexene  
1212 C6H12 (Z)-3-methylpent-2-ene c922623  
1213 C6H12 (Z)-hex-2-ene z2hexene  
1214 C6H12 (Z)-hex-3-ene z3hexene  
1215 C6H12 2,3-dimethylbut-1-ene c563780  
1216 C6H12 2,3-dimethyl-but-2-ene tmeet  
1217 C6H12 3-methylenepentane c760214  
1218 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1219 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1220 C6H12 Cyclohexane cyclohexane  
1221 C6H12 Cyclopentane, methyl- c96377  
1222 C6H12 Ethylcyclobutane c4806615  
1223 C6H12 hex-1-ene hexene1  
1224 C6H14 Butane, 2,2-dimethyl- buta22  
1225 C6H14 Butane, 2,3-dimethyl- buta23  
1226 C6H14 Hexane hexane  
1227 C6H14 Pentane, 2-methyl- penta2  
1228 C6H14 Pentane, 3-methyl- penta3  
1229 C4N2 2-Butynedinitrile c4n2  
1230 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1231 C4H2N2 Fumaronitrile c4h2n2  
1232 C2H2N4 sym-tetrazine ttz  
1233 C3H3N3 1,3,5-Triazine triazine135  
1234 CH3N5 5-Aminotetrazole c4418615  
1235 C4H4N2 1,3-Diazine diazine13  
1236 C4H4N2 Pyrazine pyrazine  
1237 C4H4N2 Pyridazine pyridazine  
1238 C4H4N2 Succinonitrile c110612  
1239 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1240 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1241 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1242 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1243 C5H5N E-2,4-pentadienenitrile bdcn  
1244 C5H5N Pyridine pyridine  
1245 B3N3H6 borazine borazine  
1246 C6H6 Fulvene fulvene  
1247 C5H6N+ Pyridinium c5h6n  
1248 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1249 C5H7N (E)-2-Pentenenitrile c26294984  
1250 C5H7N (E)-3-Pentenenitrile c16529661  
1251 C5H7N (Z)-2-Pentenenitrile c25899507  
1252 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1253 C5H7N Cyclobutanecarbonitrile c4426113  
1254 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1255 C5H9N Butanenitrile, 2-methyl- c18936179  
1256 C5H9N Pentanenitrile c110598  
1257 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1258 C6H10 Bicyclo[3.1.0]hexane c285585  
1259 C5H11N Cyclopentanamine cypentam  
1260 C5H11N Piperidine piper  
1261 C4H12N2 1,2-Butanediamine c4426486  
1262 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1263 Li2CO3 Lithium Carbonate li2co3  
1264 Na2CO3 Sodium Carbonate na2co3  
1265 C2O4-- oxalate anion c2o4  
1266 MgSO4 Magnesium Sulfate mgso4  
1267 N2O4 Dinitrogen tetroxide n2o4  
1268 C3H2O3 vinylene carbonate vica  
1269 C2H2O4 Oxalic Acid oxalic  
1270 C2H3NO3 Oxamic acid oxamic  
1271 C4H4O2 2(5H)-Furanone furanone  
1272 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1273 C2H4N2O2 Oxalamide oxalamide  
1274 C2H4N2S2 Ethanedithioamide c79403  
1275 C2H4CO3 Ethylene carbonate etco3  
1276 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1277 C3H4S3 1,3-Dithiolane-2-thione c822388  
1278 C2H4O4 Formic acid dimer fadimer  
1279 C4H5NO 3-Methylisoxazole isox3m  
1280 C4H5NO Isoxazole, 5-methyl- c5765446  
1281 C4H5NS 4-Methylthiazole c693958  
1282 C2H5NO3 Nitric acid, ethyl ester c625581  
1283 C5H6O 2H-Pyran pyran2  
1284 C5H6O 2-methylfuran furan2m  
1285 C5H6O 3-Methylfuran furan3m  
1286 C5H6O Pentadienal pdal  
1287 C5H6S Thiophene, 2-methyl- c554143  
1288 C5H6S Thiophene, 3-methyl- c616444  
1289 C4H6O2 γ–Butyrolactone c96480  
1290 C4H6O2 2,3-Butanedione c431038  
1291 C4H6O2 2-Propenoic acid, methyl ester c96333  
1292 C4H6O2 Crotonic Acid crot  
1293 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1294 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1295 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1296 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1297 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1298 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1299 C4H6OS Vinyl sulfoxide c1115157  
1300 CH6N4S Carbonothioic dihydrazide thiacarb  
1301 C2H6N2O2 (E)-Azodioxymethane c37765154  
1302 C2H6N2O2 Dimethylnitroamine c4164287  
1303 C3H6O3 1,3,5-Trioxane trioxane  
1304 C3H6S3 1,3,5-Trithiane c3h6s3  
1305 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1306 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1307 C4H7NO 2-Pyrrolidinone c616455  
1308 C4H7NO Ethoxyacetonitrile etoaccn  
1309 C4H7NO Methacrylamide c79390  
1310 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1311 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1312 C3H7ONO Propyl nitrite prono  
1313 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1314 CH3CH(NH2)COOH Alanine alanine  
1315 CH3NHCH2COOH Sarcosine sarcosine  
1316 NH2CH2CH2COOH β–alanine betaalanine  
1317 NH2COOC2H5 Urethane urethane  
1318 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1319 C5H8O Cyclopentanone c120923  
1320 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1321 C5H8O Methyl cyclopropyl ketone c765435  
1322 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1323 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1324 NH2CONHC2H5 Urea, ethyl- c625525  
1325 C4H8O2 1,3-Dioxane dioxan13  
1326 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1327 C4H8O2 1,4-Dioxane dioxan14  
1328 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1329 C4H8O2 Ethyl acetate c141786  
1330 C4H8OS s-Ethyl thioacetate c625605  
1331 C3H8O3 1,2,3-Propanetriol glycerin  
1332 C3H8O2S (Methylsulfonyl)ethane c594434  
1333 C4H9NO Butanamide c541355  
1334 C4H9NO Propanamide, 2-methyl- c563837  
1335 C5H10O 2-Butanone, 3-methyl- c563804  
1336 C5H10O 2H-Pyran, tetrahydro- c142687  
1337 C5H10O 2-methylbutyraldehyde 2meba  
1338 C5H10O 2-Pentanone mpk  
1339 C5H10O 3-Pentanone dek  
1340 C5H10O Cyclopentanol c96413  
1341 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1342 C5H10O Pentanal pal  
1343 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1344 C5H10S 3-Ethylthio-1-propene c5296628  
1345 C5H10S Cyclopentanethiol c1679078  
1346 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1347 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1348 C4H10O2 1,1-Dimethoxyethane c534156  
1349 C4H10O2 1,3-Butanediol budiol13  
1350 C4H10O2 1,4-Butanediol budiol14  
1351 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1352 C4H10OS Diethyl sulfoxide c70291  
1353 C4H10S2 1,4-Butanedithiol budisl14  
1354 C4H11NO Diethylhydroxylamine c3710847  
1355 C5H12O 1-Butanol, 2-methyl- c137326  
1356 C5H12O 1-Butanol, 3-methyl- c123513  
1357 C5H12O 1-Pentanol pentanol1  
1358 C5H12O 2-Butanol, 3-methyl- c598754  
1359 C5H12O 2-Pentanol peol2  
1360 C5H12O 3-Pentanol pentan3ol  
1361 C5H12O Butane, 1-methoxy- meobu  
1362 C5H12O Propane, 1-ethoxy- proet  
1363 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1364 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1365 C5H12S 1-Butanethiol, 3-methyl- c541311  
1366 C5H12S 1-Pentanethiol c110667  
1367 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1368 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1369 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1370 C5H12S Butane, 1-(methylthio)- c628295  
1371 C5H12S Ethyl propyl sulfide c4110503  
1372 C5H12S Propane, 2-(ethylthio)- c5145993  
1373 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1374 C4F2 difluorobutadiyne c4f2  
1375 ClCOClCO Oxalyl chloride oxcl  
1376 CF3CN Acetonitrile, trifluoro- cf3cn  
1377 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1378 B2F4 Diboron tetrafluoride b2f4  
1379 B2Cl4 Diboron tetrachloride b2cl4  
1380 C2F4 Tetrafluoroethylene c2f4  
1381 C2F4+ Tetrafluoroethylene cation c2f4+  
1382 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1383 CF2CCl2 difluorodichloroethylene cf2ccl2  
1384 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1385 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1386 C2FCl3 fluorotrichloroethene c2fcl3  
1387 C2Cl4 Tetrachloroethylene c2cl4  
1388 C2Br4 tetrabromoethene c2br4  
1389 CF3OF Trifluoromethylhypofluorite cf3of  
1390 SiF5- silicon pentafluoride anion sif5-  
1391 SOF4 Sulfur tetrafluoride oxide sof4  
1392 PF5 Phosphorus pentafluoride pf5  
1393 AsF5 Arsenic pentafluoride asf5  
1394 PCl5 Phosphorus pentachloride pcl5  
1395 SF5+ pentafluoro sulfur cation sf5+  
1396 SbCl5 Antimony pentachloride sbcl5  
1397 BrF5 bromine pentafluoride brf5  
1398 ClF5 chlorinepentafluoride clf5  
1399 IF5 pentafluoroiodine if5  
1400 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1401 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1402 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1403 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1404 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1405 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1406 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1407 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1408 CF3COOH trifluoroacetic acid cf3cooh  
1409 C4H3ClO Furan, 2-chloro fur2cl  
1410 C4H3ClO Furan,3-chloro fur3cl  
1411 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1412 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1413 C4H8Cl2 1,4-Dichlorobutane c110565  
1414 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1415 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1416 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1417 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1418 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1419 C5H11Cl Pentane, 1-chloro- pencl1  
1420 C4H8O2 Butanoic acid bua  
1421 C7H7+ cycloheptatrienyl cation c7h7+  
1422 C6H5CH3 toluene toluene  
1423 C7H8 cycloheptatriene cht  
1424 C7H8 Norbornadiene norbor  
1425 C7H8 Quadricyclane qucy  
1426 C7H12 Norbornane nor  
1427 C7H14 cycloheptane c7h14  
1428 C7H16 2-methylhexane 2mhex  
1429 C7H16 3-methylhexane hex3m  
1430 C7H16 heptane heptane  
1431 CH(CN)3 tricyanomethane mecn3  
1432 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1433 C6H7N 2-Methylpyridine mp  
1434 C6H5NH2 aniline aniline  
1435 C6H15N triethylamine tea  
1436 N2O5 Dinitrogen pentoxide n2o5  
1437 C4H2O3 Maleic Anhydride malan  
1438 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1439 C5H4O2 furfural furfural  
1440 C5H5NO 2(1H)-Pyridinone c72762006  
1441 C5H5NO 2(3H)-Pyridinone c9000048  
1442 C5H5NO 2(5H)-Pyridinone c9000037  
1443 C5H5NO 2-Pyridinol c109104  
1444 C5H5NO 3(2H)-Pyridinone c9000004  
1445 C5H5NO 3(4H)-Pyridinone c9000026  
1446 C5H5NO 3(6H)-Pyridinone c9000015  
1447 C5H5NO 3-Pyridinol c109002  
1448 C5H5NO 4(1H)-Pryidinone c9000060  
1449 C5H5NO 4(3H)-Pryidinone c9000059  
1450 C5H5NO 4-Pyridinol c626642  
1451 C6H5OH phenol phenol  
1452 C6H6O 2,4-Cyclohexadienone c24599573  
1453 C6H6O 2,5-Cyclohexadienone c5664335  
1454 C6H5SH Benzenethiol phsh  
1455 HO2CCHNH2CH2OH Serine serine  
1456 C5H8O2 Acetylacetone acac  
1457 C4H8O2S Sulfolane sulfolane  
1458 C7H10 Norbornene norbornene  
1459 CH(C2H3)3 trivinyl methane tvm  
1460 C6H10O cyclohexanone chexo  
1461 C6H12O hexanal c6h12o  
1462 C6H12O Oxepane oxepane  
1463 C3H7OC3H7 di-n-propyl ether propr  
1464 F2CCCF2 tetrafluoroallene pfa  
1465 CF3COO- trifluoro acetate anion cf3coo-  
1466 CF3COF trifluoroacetyl fluoride cf3cof  
1467 CF3COCl trifluoroacetyl chloride cf3cocl  
1468 PF6- Hexafluorophosphate ion pf6-  
1469 SF6 Sulfur Hexafluoride sf6  
1470 SeF6 Selenium hexafluoride sef6  
1471 SF5Cl sulfur chloropentafluoride sf5cl  
1472 CF3CHF2 pentafluoroethane cf3chf2  
1473 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1474 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1475 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1476 CCl3CHCl2 pentachloroethane ccl3chcl2  
1477 C6H5F Fluorobenzene bzf  
1478 C6H5Cl chlorobenzene bzcl  
1479 C6H5Br bromobenzene bzbr  
1480 C8H6 Calicene calicene  
1481 C6H5CCH phenylacetylene phac  
1482 C8H6 benzocyclobutadiene bcbd  
1483 C8H6 Pentalene pentalene  
1484 C6H5CHCH2 Styrene styrene  
1485 C8H8 cubane cubane  
1486 C8H8 cyclooctatetraene cot  
1487 C6H5CH2CH3 Ethylbenzene etbz  
1488 CH3C6H4CH3 meta-xylene mxylene  
1489 CH3C6H4CH3 paraxylene pxylene  
1490 C8H14 Bicyclo[2.2.2]octane bico222  
1491 C8H16 cyclooctane cyclooct  
1492 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1493 C8H18 Octane c8h18  
1494 C6H5CN phenyl cyanide phcn  
1495 C6H12N2 Triethylenediamine ted  
1496 C4O4-- squarate dianion c4o4--  
1497 S4N4 Tetrasulfur tetranitride s4n4  
1498 S8 Octasulfur s8  
1499 C6H4O2 parabenzoquinone pbq  
1500 C4H4N2O2 Uracil uracil  
1501 C6H5CHO benzaldehyde benzal  
1502 C6H5OCH3 Anisole anisole  
1503 C5H9NO2 Proline proline  
1504 C4F4 tetrafluorcyclobutadiene c4f4  
1505 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1506 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1507 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1508 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1509 C2F6 hexafluoroethane c2f6  
1510 C2Cl6 hexachloroethane c2cl6  
1511 IF7 Iodine heptafluoride if7  
1512 C6H4F2 metadifluorobenzene mdfb  
1513 C6H4F2 orthodifluorobenzene odfb  
1514 C6H4F2 1,4-difluorobenzene pdfb  
1515 C6H4Cl2 1,2-dichlorobenzene dcb12  
1516 C6H4Cl2 1,3-dichlorobenzene dcb13  
1517 C6H4Cl2 1,4-dichlorobenzene dcb14  
1518 C6H5NO nitrosobenzene bzno  
1519 C9H8 Indene indene  
1520 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1521 C9H12 n-propyl benzene prbz  
1522 C9H20 Nonane nonane  
1523 C(CN)4 tetracyanomethane c5n4  
1524 C5H4N4 purine purine  
1525 C8H7N Indole indole  
1526 C3H3N3O3 cyanuric acid cyanuric  
1527 C6H5NO2 Nitrobenzene c6h5no2  
1528 C6H5COOH benzoic acid benzo  
1529 CH3COC6H5 acetophenone acph  
1530 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1531 C3F6 hexafluoropropene c3f6  
1532 C6H3F3 Benzene trifluoride 123 bzf3a  
1533 C8H18O 1-Octanol octanol  
1534 C10H8 Azulene azu  
1535 C10H8 naphthalene naph  
1536 C10H10 bullvalene bullv  
1537 C10H16 adamantane adamantane  
1538 C6N4 Tetracyanoethylene tcne  
1539 C10H22 Decane decane  
1540 C4F6 perfluorobutadiene c4f6  
1541 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1542 C3F8 perfluoropropane c3f8  
1543 Fe(CO)5 Iron pentacarbonyl ipc  
1544 Fe(C5H5)2 ferrocene fecp2  
1545 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1546 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1547 C12H8 Acenaphthylene acenaph  
1548 C12H8 biphenylene biph  
1549 C12H10 biphenyl biphenyl  
1550 C12H10 Heptalene heptalene  
1551 C6H12O6 Inositol inositol  
1552 C6F6 hexafluorobenzene c6f6  
1553 S2F10 disulphur decafluoride s2f10  
1554 C13H10 Fluorene fluorene  
1555 C14H10 Anthracene anth  
1556 C14H10 Phenanthrene phenanthrene  
1557 C14H14 Bibenzyl bibenzyl  
1558 C12H10N2 azobenzene azobenzene  
1559 C6H5COC6H5 benzophenone benzophenone  
1560 C16H10 Pyrene pyrene  
1561 C18H12 Tetracene tetracene  
1562 C19H16 Triphenylmethane tpm  
1563 C24H12 Coronene coronene  
1564 C60 Buckminsterfullerene c60