return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Resources > Info on Results > Calculations Done > Method and basis set

List of which calculations are completed at ROHF /6-311G*

Jump to calculations not yet done
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 CH Methylidyne 2Π1/2C∞v
79 SiH Silylidyne 2ΠC∞v
80 SiH- silicon monohydride anion 3ΣC∞v
81 GeH germylidene 2ΠC∞v
82 CH2 Methylene 3B1C2v
83 CH2 Methylene 3ΣGD∞h
84 CH2- methylene anion 2B1C2v
85 CH2+ methylene cation 2A1C2v
86 CH2+ methylene cation 2ΠD∞h
87 SiH2 silicon dihydride 3B1C2v
88 SiH2- silicon dihydride anion 2B1C2v
89 SiH2+ silicon dihydride cation 2A1C2v
90 GeH2 germylene 1A1C2v
91 GeH2- germylene anion 2B1C2v
92 CH3 Methyl radical 2A1D3h
93 CH3- methyl anion 1A1C3v
94 CH3+ methyl cation 1A1'D3h
95 SiH3 Silyl radical 2A1C3v
96 SiH3- Silyl anion 1A1C3v
97 SiH3+ Silyl cation 1A1'D3h
98 GeH3 Germyl radical 2A1C3v
99 GeH3+ germyl cation 1A1'D3h
100 N Nitrogen atom 4SKh
101 N- Nitrogen atom anion 3SKh
102 N+ Nitrogen atom cation 3PKh
103 P Phosphorus atom 4SKh
104 P- Phosphorus atom anion 3PKh
105 P+ Phosphorus atom cation 3PKh
106 V Vanadium atom 4FKh
107 V+ Vanadium atom cation 5DKh
108 As Arsenic atomic 4SKh
109 As- Arsenic anion 3PKh
110 As+ Arsenic cation 3PKh
111 NH Imidogen 3Σ-C∞v
112 PH phosphorus monohydride 3Σ-C∞v
113 AsH Arsenic monohydride 3ΣC∞v
114 AsH+ Arsenic monohydride cation 2ΠC∞v
115 ND2 Amidogen-d2 2B1C2v
116 NH2 Amino radical 2B1C2v
117 NH2+ Amino cation 3B1C2v
118 PH2 Phosphino radical 2B1C2v
119 PH2- Phosphino anion 1A1C2v
120 PH2+ Phosphino cation 1A1C2v
121 AsH2 Arsenic dihydride 2A1C2v
122 NH3- Ammonia anion 2A1C3v
123 NH3+ ammonia cation 2A2"D3h
124 PH3+ Phosphine cation 2A1C3v
125 AsH3+ Arsine cation 2A1C3v
126 NH4 Ammonium radical   
127 PH4 Phosphoranyl radical   
128 O Oxygen atom 3SKh
129 O- Oxygen atom anion 2PKh
130 O+ Oxygen atom cation 4SKh
131 S Sulfur atom 3PKh
132 S- Sulfur atom anion 2PKh
133 S+ Sulfur atom cation 4SKh
134 Se Selenium atom 3PKh
135 Se- Selenium atom anion 2PKh
136 Se+ Selenium atom cation 4SKh
137 DO Hydroxyl-d 2ΠC∞v
138 OH Hydroxyl radical 2ΠC∞v
139 OH+ hydoxyl cation 3ΣC∞v
140 DS Mercapto-d 2ΠC∞v
141 HS Mercapto radical 2ΠC∞v
142 HS- mercapto anion 1ΣC∞v
143 HS+ sulfur monohydride cation 3ΣC∞v
144 CrH Chromium hydride 6ΣC∞v
145 CrH+ Chromium hydride cation 5ΣC∞v
146 HSe Selenium monohydride 2ΠC∞v
147 HSe+ selenium monohydride cation 3ΣC∞v
148 H2O- water anion 2A1C2v
149 H2O- water anion 2A'Cs
150 H2O+ water cation 2B1C2v
151 H2S- Hydrogen sulfide anion 2A'Cs
152 H2S+ Hydrogen sulfide cation 2B1C2v
153 H2Se Hydrogen selenide 1A1C2v
154 H2Se+ Hydrogen selenide cation 2B1C2v
155 H3S+ Sulfonium cation 1A1C3v
156 F Fluorine atom 2PKh
157 F- Fluorine atom anion 1SKh
158 F+ Fluorine atom cation 3SKh
159 F+ Fluorine atom cation 1DKh
160 Cl Chlorine atom 2PKh
161 Cl- Chlorine atom anion 1SKh
162 Cl+ Chlorine atom cation 3PKh
163 Cl+ Chlorine atom cation 1DKh
164 Br Bromine atom 2PKh
165 Br- Bromine atom anion 1SKh
166 Br+ Bromine atom cation 3PKh
167 I Iodine atom 2PKh
168 HF- hydrogen fluoride anion 2ΣC∞v
169 HF+ hydrogen fluoride cation 2ΠC∞v
170 HCl- hydrogen chloride anion 2ΣC∞v
171 HCl+ hydrogen chloride cation 2ΠC∞v
172 HBr hydrogen bromide 1ΣC∞v
173 HBr- hydrogen bromide anion 2ΣC∞v
174 HBr+ hydrogen bromide cation 2ΠC∞v
175 HI+ Hydrogen iodide cation   
176 H2Cl+ dihydrogen monochloride cation 1A1C2v
177 Ne Neon atom   
178 Ne- Neon atom anion 2SKh
179 Ne+ Neon atom cation 2PKh
180 Ar- Argon atom anion 2SKh
181 Ar+ Argon atom cation 2PKh
182 Kr+ Krypton cation 2PKh
183 NeH neon hydrogen 2ΣC∞v
184 ArH+ Argon hydride cation 1ΣC∞v
185 Na2- sodium diatomic anion 2ΣuD∞h
186 Na2+ sodium diatomic cation 2ΣgD∞h
187 NaK+ Sodium Potassium diatomic cation 1
188 LiBe Lithium Beryllium 2ΣC∞v
189 LiMg Lithium magnesium 2ΣC∞v
190 NaBe Sodium Beryllium 2ΣC∞v
191 NaMg Sodium Magnesium 2ΣC∞v
192 Be2 Beryllium diatomic 3ΠgD∞h
193 Be2- Beryllium diatomic anion 2ΠuD∞h
194 LiB Lithium boride 3ΠC∞v
195 BeB Beryllium monoboride 2ΠC∞v
196 B2 Boron diatomic 3ΣgD∞h
197 B2 Boron diatomic 5ΣuD∞h
198 B2+ Boron diatomic cation 2ΠD∞h
199 BAl Boron Aluminum 3ΣC∞v
200 BGa Boron Gallium 3ΣC∞v
201 AlGa Aluminum Gallium 3ΣC∞v
202 Ga2 Gallium diatomic 3Piu 
203 HBBH Diborane(2) 3ΣGD∞h
204 B2H6+ Diborane cation   
205 LiC Lithium Carbide 4ΣC∞v
206 BeC Beryllium Carbide 3Σ-C∞v
207 BeC Beryllium Carbide   
208 CaC Calcium monocarbide   
209 BC boron monocarbide 4Σ-C∞v
210 BC- boron monocarbide anion 3ΠuC∞v
211 AlC Aluminum carbide 4ΣC∞v
212 BSi Boron silicide 4ΣC∞v
213 BSi Boron silicide 2ΣC∞v
214 C2 Carbon diatomic 3ΠuD∞h
215 C2+ carbon diatomic cation 4ΣgD∞h
216 SiC silicon monocarbide 3ΣC∞v
217 SiC- silicon monocarbide anion 2ΣgC∞v
218 SiC+ silicon monocarbide cation 2ΠC∞v
219 Si2 Silicon diatomic 3ΣgD∞h
220 GeC Germanium monocarbide 1ΣC∞v
221 SiGe Silicon Germanium   
222 Ge2 Germanium diatomic 3ΣgD∞h
223 Ge2 Germanium diatomic 1ΣGD∞h
224 C2H Ethynyl radical 2ΣC∞v
225 ZnCH2 Zinc methylene 3B1C2v
226 ZnCH2 Zinc methylene 1A'Cs
227 C2H2+ acetylene cation 2ΠuD∞h
228 C2H2+ acetylene cation   
229 CCH2 vinylidene 1A1C2v
230 CCH2 vinylidene 3B2C2v
231 H2CC- vinylidene anion   
232 HCCH- acetylene anion   
233 HCCH- acetylene anion   
234 CH3Li methyl lithium 1A1C3v
235 ZnCH3 Zinc monomethyl 2A1C3v
236 C2H3 vinyl 2A'Cs
237 C2H3+ vinyl cation 1A1C2V bridging H
238 C2H4- Ethylene anion 2B2gD2h
239 C2H4- Ethylene anion 2AgC2h
240 C2H4+ Ethylene cation 2B3uD2h
241 C2H4+ Ethylene cation 2B3D2
242 CH3CH methylmethylene 3A"Cs
243 C2H5 Ethyl radical 2A'Cs
244 C2H6+ ethane cation 2BgC2h
245 C2H6+ ethane cation 2AgCi
246 LiN Lithium Nitride 3ΣC∞v
247 LiN+ Lithium Nitride cation 4ΣC∞v
248 LiP Lithium monophosphide   
249 BeN Beryllium mononitride 4ΣC∞v
250 BeN Beryllium mononitride 2ΠC∞v
251 BeN- Beryllium mononitride anion 1ΣC∞v
252 BeN+ Beryllium mononitride cation 1ΣC∞v
253 MgN Magnesium Nitride   
254 MgN Magnesium Nitride   
255 BP Boron monophosphide 3ΠC∞v
256 AlP Aluminum monophosphide 3ΣC∞v
257 AlP Aluminum monophosphide 3ΠC∞v
258 GaN Gallium mononitride 3ΠC∞v
259 GaP Gallium monophosphide 3ΣC∞v
260 GaAs Gallium arsenide 3Π 
261 GaAs Gallium arsenide 1Σ 
262 BN boron nitride 3ΠC∞v
263 CN Cyano radical 2ΣC∞v
264 CP Carbon monophosphide 2ΣC∞v
265 SiN Silicon nitride 2ΣC∞v
266 SiP Silicon monophosphide 2ΠC∞v
267 SiP- Silicon monophosphide anion 1ΣC∞v
268 SiP+ Silicon monophosphide cation 3ΣC∞v
269 N2 Nitrogen diatomic   
270 N2- nitrogen diatomic anion 2ΠgD∞h
271 N2+ diatomic nitrogen cation 2ΣgD∞h
272 HNB hydrogen nitrogen boron 2ΣC∞v
273 HCN+ hydrogen cyanide cation 2ΠC∞v
274 HNC+ hydrogen isocyanide cation   
275 HCP+ Phosphaethyne cation   
276 NNH Dinitrogen monohydride 2A'Cs
277 HPO+ Hydrogen phosphorus oxide cation 2A'Cs
278 CNH2 Aminomethylidyne radical 2B2C2v
279 H2CN Dihydrogen cyanide radical 2B2C2v
280 H2CN+ hydrocyanonium cation 1A1C2v
281 HCNH methyleneazane 2A'CS cis
282 HCNH methyleneazane 2A'CS trans
283 N2H2+ trans-diazene cation 2AGC2h
284 CH2NH+ Methanimine cation   
285 CHNH2+ Aminocarbene cation   
286 N2H4+ hydrazine cation 2AGC2h
287 CH3NH2+ methyl amine cation 2A'Cs
288 CH3NH3 methyl ammonium radical 2A1C3v
289 LiO lithium oxide 2ΣC∞v
290 LiO- lithium oxide anion 1ΣC∞v
291 LiO- lithium oxide anion 3ΣC∞v
292 LiO+ lithium oxide cation 3ΣC∞v
293 LiS Lithium monosulfide 2ΠC∞v
294 LiS+ Lithium sulfide cation 3ΣC∞v
295 NaO sodium monoxide 2ΣC∞v
296 KO Potassium monoxide 2ΣC∞v
297 KO+ Potassium monoxide cation 3ΣC∞v
298 NaS Sodium sulfide 2ΠC∞v
299 CuO Copper Monoxide 2ΠC∞v
300 LiSe Lithium monoselenide   
301 BeO- Beryllium monoxide anion 2ΣC∞v
302 BeO+ Beryllium monoxide cation 2ΠC∞v
303 BO boron monoxide 2ΣC∞v
304 BO- boron monoxide anion 1ΣC∞v
305 AlO Aluminum monoxide 2ΣC∞v
306 BS boron sulfide 2ΣC∞v
307 AlS Aluminum sulfide 2ΣC∞v
308 ScO Scandium monoxide 2ΣC∞v
309 GaO Gallium monoxide 2ΣC∞v
310 GaS Gallium monosulfide   
311 CO Carbon monoxide 3ΠC∞v
312 CO- carbon monoxide anion 2ΠC∞v
313 CO+ carbon monoxide cation 2ΣC∞v
314 TiO Titanium monoxide 3ΔC∞v
315 GeO+ Germanium monoxide cation 2ΣC∞v
316 SiSe+ Silicon Monoselenide cation   
317 NO Nitric oxide 2ΠC∞v
318 NO- nitric oxide anion 3ΣC∞v
319 NS Mononitrogen monosulfide 2ΠC∞v
320 NS- nitrogen sulfide anion 3ΣC∞v
321 PO Phosphorus monoxide 2ΠC∞v
322 PS phosphorus sulfide 2ΣC∞v
323 VO Vanadium monoxide 4Σ- 
324 AsO Arsenic monoxide 2ΠC∞v
325 NSe Nitrogen monoselenide 2ΠC∞v
326 AsS Arsenic monosulfide 2ΠC∞v
327 PSe Phosphorus monoselenide 2ΠC∞v
328 AsSe Arsenic monoselenide 2ΠC∞v
329 O2 Oxygen diatomic 3ΣgD∞h
330 O2- oxygen diatomic anion 2ΠD∞h
331 O2+ diatomic oxygen cation 2ΠgD∞h
332 SO Sulfur monoxide 3ΣC∞v
333 SO Sulfur monoxide 1ΣC∞v
334 SO+ sulfur monoxide cation 2ΠC∞v
335 S2 Sulfur diatomic 3ΣgD∞h
336 SeO Selenium monoxide 3ΣC∞v
337 Se2 Selenium diatomic 3ΣgD∞h
338 BeOH beryllium monohydroxide 2A'Cs
339 MgOH magnesium hydroxide 2A'Cs
340 COH Hydroxymethylidyne   
341 HCO Formyl radical 2A'Cs
342 HCO- formyl anion 1A'Cs
343 HCO+ Formyl cation 1ΣC∞v
344 HCS Thioformyl radical 2A'Cs
345 HCS+ Thioformyl cation 1ΣC∞v
346 HNO Nitrosyl hydride 1A'Cs
347 HNO- Nitrosyl hydride anion 2A"Cs
348 HNO+ Nitrosyl hydride cation 2A'Cs
349 NOH Hydroxyimidogen 3A"Cs
350 NOH+ O-protonated nitric oxide 2A'Cs
351 HNS- Sulfur imide anion 2ACs
352 HO2 Hydroperoxy radical 2A"Cs
353 HO2- Hydroperoxy anion 1A'Cs
354 HO2+ Hydroperoxy cation 3A"Cs
355 HO2+ Hydroperoxy cation 1A'Cs
356 SOH Sulfur Hydroxide   
357 SOH+ Sulfur Monoxide, protonated   
358 HS2 Thiosulfeno radical 2A"Cs
359 H2CO- formaldehyde anion 2A'Cs
360 H2CO- formaldehyde anion   
361 H2CO+ formaldehyde cation 2B2C2v
362 H2CS- thioformaldehyde anion   
363 H2CS- thioformaldehyde anion   
364 H2CS+ thioformaldehyde cation 2B2C2v
365 H2NO nitroxide 2B1C2v
366 H2NO nitroxide 2A'Cs
367 H2O2+ Hydrogen peroxide cation 2BgC2h
368 H2O2+ Hydrogen peroxide cation 2A1C2v
369 H2S2+ hydrogen disulfide cation 2BgC2h
370 CH2OH Hydroxymethyl radical 2AC1
371 CH3O Methoxy radical 2A'C1
372 CH3O+ Methoxy cation 3A1C3v
373 CH3S thiomethoxy 2A'C3v
374 NH2OH+ Hydroxylamine cation   
375 CH3OH- Methyl alcohol anion 2A'Cs
376 CH3OH- Methyl alcohol anion 2A'CS eclipsed
377 CH3OH+ Methyl alcohol cation 2A"Cs
378 CH3OH+ Methyl alcohol cation 2AC1
379 CH3SH+ Methanethiol cation 2A"Cs
380 NH2OH2+ protonated hydroxylamine   
381 NH3OH+ N-protonated hydroxylamine   
382 NaF+ sodium fluoride cation 2ΣC∞v
383 LiF- lithium fluoride anion 2ΣC∞v
384 LiF+ lithium fluoride cation 2ΠC∞v
385 BeF Beryllium monofluoride 2ΣC∞v
386 BeF- Beryllium monofluoride anion 1ΣC∞v
387 BeF+ Beryllium monofluoride cation 1ΣC∞v
388 BeCl beryllium monochloride 2ΣC∞v
389 MgF Magnesium monofluoride 2ΣC∞v
390 MgCl magnesium monochloride 2ΣC∞v
391 CaCl calcium monochloride 2ΣC∞v
392 TiCl Titanium Monochloride 4ΣC∞v
393 ZnF Zinc monofluoride 2ΣC∞v
394 ZnCl Zinc monochloride 2ΣC∞v
395 CaBr Calcium monobromide   
396 GaF Gallium monofluoride 1ΣC∞v
397 GaF+ Gallium monofluoride cation 2ΣC∞v
398 GaCl Gallium monochloride 1ΣGC∞v
399 GaCl+ Gallium monochloride cation 2ΣC∞v
400 CF Fluoromethylidyne 2ΠC∞v
401 CCl carbon monochloride 2ΠC∞v
402 SiF silicon monofluoride 2ΠC∞v
403 SiF- silicon monofluoride anion 3ΣC∞v
404 SiCl Clorosilylidyne 2ΠC∞v
405 CBr Carbon monobromide 2ΠC∞v
406 GeF Germanium monofluoride 2ΠC∞v
407 GeCl Germanium monochloride 2ΠC∞v
408 SiBr Silicon monobromide 2ΠC∞v
409 SiBr+ Silicon monobromide cation   
410 NF nitrogen fluoride 3ΣC∞v
411 NCl nitrogen monochloride 3ΣC∞v
412 NCl- nitrogen monochloride anion 2ΠC∞v
413 NCl+ nitrogen monochloride cation 2ΠC∞v
414 PF phosphorus monofluoride 3ΣC∞v
415 AsF Arsenic monofluoride 3ΣC∞v
416 NBr nitrogen monobromide 3Σ-C∞v
417 AsCl Arsenic monochloride 3ΣC∞v
418 PBr Phosphorus monobromide   
419 FO Oxygen monofluoride 2ΠC∞v
420 ClO Monochlorine monoxide 2ΠC∞v
421 ClO+ chlorine monoxide cation 3ΣC∞v
422 SF Monosulfur monofluoride 2ΠC∞v
423 SF+ sulfur monofluoride cation 3ΣC∞v
424 SCl sulfur monochloride 2ΠC∞v
425 SCl+ sulfur monochloride cation 3ΣgC∞v
426 BrO Bromine monoxide 2ΠC∞v
427 BrO+ Bromine monoxide cation   
428 SeF Selenium monofluoride 2ΠC∞v
429 SBr Sulfur monobromide radical   
430 SBr+ Sulfur monobromide cation   
431 SeCl Selenium monochloride 2ΠC∞v
432 SeBr Selenium monobromide   
433 F2- flourine diatomic anion 2ΣuD∞h
434 F2+ flourine diatomic cation 2ΠgD∞h
435 ClF Chlorine monofluoride 1Σ+C∞v
436 ClF+ clorine monofluoride cation 2ΠC∞v
437 Cl2- chlorine diatomic anion 2ΣuD∞h
438 Cl2+ chlorine diatomic cation 2ΠgD∞h
439 Br2- bromine diatomic anion 2ΣuD∞h
440 Br2+ bromine diatomic cation 2ΠgD∞h
441 I2+ Iodine diatomic cation 2ΠgD∞v
442 HCF Fluoromethylene 3A"Cs
443 HCCl Chloromethylene 3A"Cs
444 CHBr bromomethylene 3A"Cs
445 HOCl+ hypochlorous acid cation   
446 HOBr+ Hypobromous acid cation 2A"Cs
447 FHF- Hydrogen difluoride anion 1ΣgD∞h
448 CH2Br bromomethyl radical 2A'Cs
449 CH2Br bromomethyl radical   
450 CH2F fluoromethyl radical 2ACs
451 CH2Cl chloromethyl radical 2A'Cs
452 CH2Cl chloromethyl radical 2B1C2v
453 CH3F+ methyl fluoride cation   
454 CH3Cl+ Methyl chloride cation   
455 CH3Br methyl bromide 1A1C3v
456 Ne2+ Neon diatomic cation 2ΣuD∞h
457 Ar2+ Argon diatomic cation 2ΣuD∞h
458 Li3 Lithium trimer 2B2C2v
459 C3 carbon trimer 1A1C2v
460 C3+ carbon trimer cation 2ΣuD∞h
461 C3H3 cyclopropenyl radical 2A'Cs
462 C3H3 Propargyl radical 2B1Cs
463 C3H3- Propargyl anion 1A'Cs
464 C3H3+ Propargyl cation 1A1C2v
465 C3H5 Allyl radical 2A2C2v
466 C3H5 Allyl radical 2A"Cs
467 CH3CHCH 1-propenyl radical 2A'Cs
468 C3H7 n-Propyl radical 2A"C1
469 CH3CHCH3 Isopropyl radical 2AC2
470 LiCN lithium cyanide 1ΣC*V LiCN
471 ZnCN Zinc monocyanide 2ΣC∞v
472 ZnNC Zinc isocyanide 2ΣC∞v
473 CNN Diazocarbene   
474 NCN Cyanoimidogen 3ΣgD∞h
475 N3 azide radical 2ΠgD∞h
476 N3+ azide cation 3ΣgD∞h
477 N3+ azide cation 3ΣC∞v
478 HCCN cyanomethylene 3A"Cs
479 HCCN cyanomethylene 3ΣC∞v
480 HCCN cyanomethylene   
481 HN3 hydrogen azide 1A'Cs
482 HN3+ Hydrazoic acid cation   
483 CH3CN- acetonitrile anion 2EC3v
484 CH3CN- acetonitrile anion 2A'Cs
485 CH3CN+ Acetonitrile cation 2A"Cs
486 HCNCH2+ 2H-Azirine cation   
487 CH2CHNH vinylazine 2A"CS cis
488 CH2CHNH vinylazine 2A"CS trans
489 CH3CHN methylmethaniminyl radical 2A'Cs
490 Li2O+ dilithium oxide cation 2ΠD∞h
491 LiO2 Lithium dioxide   
492 NaO2 Sodium superoxide   
493 CCO Dicarbon monoxide 3ΣC∞v
494 NCO isocyanato radical 2ΠC∞v
495 SCN thiocyanato radical 2ΠC∞v
496 BO2 Boron dioxide 2A'D∞h
497 BO2+ Boron dioxide cation 3ΣgD∞h
498 N2O- Nitrous oxide anion 2A'Cs
499 N2O+ Nitrous oxide cation 2ΠC∞v
500 CO2- Carbon dioxide anion 2A1C2v
501 CO2+ Carbon dioxide cation 2ΠgD∞h
502 CO2+ Carbon dioxide cation 2ΠC∞v
503 OCS+ Carbonyl sulfide cation 2ΠC∞v
504 CS2- Carbon disulfide anion 2A1C2v
505 CS2+ Carbon disulfide cation 2ΠD∞h
506 NO2 Nitrogen dioxide 2A1C2v
507 NO2- Nitrogen dioxide anion 1A1C2v
508 NO2+ Nitrogen dioxide cation 1ΣGD∞h
509 NSO sulfinyl amidogen   
510 PO2 Phosphorus dioxide 2A1C2v
511 PO2+ Phosphorus dioxide cation 1ΣGD∞h
512 SNO Nitrogen oxide sulfide   
513 AsO2 Aresenic dioxide 2A1C2v
514 O3- Ozone anion 2B1C2v
515 O3+ Ozone cation 2A1C2v
516 SO2 Sulfur dioxide 1A1C2v
517 SO2- Sulfur dioxide anion 2B1C2v
518 SO2+ Sulfur dioxide cation 2A1C2v
519 S3- Sulfur trimer anion 2B1C2v
520 S3+ Sulfur trimer cation 2B2C2v
521 SeO2+ Selenium dioxide cation 2A1C2v
522 HCCO ketenyl radical 2ΠC∞v
523 HCCO ketenyl radical 2A"Cs
524 HCOO formate neutral radical 2A'Cs
525 HOCO Hydrocarboxyl radical 1A'cis
526 HOCO Hydrocarboxyl radical 1A'trans
527 HOCO+ Hydrocarboxyl cation 1A'Cs
528 HNO2+ nitrous acid cation 2A'Cs
529 CH2CO+ Ketene cation 2B1C2v
530 CH2CHO Vinyloxy radical 2A"Cs
531 CH3CO Acetyl radical 2A'Cs
532 CH2OOH CH2OOH radical 2AC1
533 CH3OO methylperoxy radical 2A"Cs
534 CH3OO+ methylperoxy cation 1A'Cs
535 C2H4O+ ethylene oxide cation   
536 CH3CHO+ acetaldehyde cation   
537 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
538 CH2CH2OH 2-hydroxy ethyl radical 2A'Cs
539 CH2CH2OH 2-hydroxy ethyl radical 2AC1
540 CH3CH2O Ethoxy radical 2A'Cs
541 CH3CHOH 1-hydroxy-ethyl radical 2AC1
542 CH3OCH2 methoxymethyl radical 2AC1
543 CH3CH2SH ethanethiol 1A'Cs
544 CH3SCH3+ dimethyl sulfide cation   
545 CuF2 Copper difluoride 2ΠgD∞h
546 ZnF2 Zinc difluoride 1ΣGD∞h
547 FCO Carbonyl fluoride 2A'Cs
548 ClCO carbonyl monochloride 2A'Cs
549 BF2 Boron difluoride radical 2A1C2v
550 BrNO Nitrosyl bromide 1A'Cs
551 CF2 Difluoromethylene 3B1C2v
552 CF2- Difluoromethylene anion 2B1C2v
553 CF2+ Difluoromethylene cation 2A1C2v
554 SiF2 Silicon difluoride 1A1C2v
555 SiF2 Silicon difluoride 3B1C2v
556 SiF2+ Silicon difluoride cation 2A1C2v
557 CCl2- dichloromethylene anion 2B1C2v
558 CCl2+ dichloromethylene cation 2A1C2v
559 CBr2 dibromomethylene 3B1C2v
560 FOO Dioxygen monofluoride radical 2A"Cs
561 FOO+ Fluorine dioxide cation   
562 ClOO chloroperoxy radical 2A"Cs
563 ClOO+ chloroperoxy cation 1A'Cs
564 OClO Chlorine dioxide 2B1D∞h
565 OClO- Chlorine dioxide anion 1A'Cs
566 OClO+ Chlorine dioxide cation 1A1C2v
567 ClSO Sulfur chloride oxide 2A"Cs
568 ClS2 Sulfur chloride 2A"Cs
569 BrOO Bromine dioxide   
570 OBrO Bromine dioxide radical 2B1C2v
571 NF2 Difluoroamino radical 2B1C2v
572 NF2+ Difluoroamino cation 1A1C2v
573 PF2 Phosphorus difluoride   
574 SF2- sulfur difluoride anion 2A'Cs
575 SF2- sulfur difluoride anion 2ΠD∞h
576 SF2+ sulfur difluoride cation 2B1C2v
577 BrOCl Bromine hypochlorite 1A'Cs
578 BrOBr Bromine oxide 1A1C2v
579 HCCF+ fluoroacetylene cation 2ΠC∞v
580 HFCO+ formyl fluoride cation 2A'Cs
581 COHCl Formyl chloride 1A'Cs
582 COHBr Formyl bromide 1A'Cs
583 CHCl2 dichloromethyl radical 2B1C2v
584 CHCl2 dichloromethyl radical 2A'Cs
585 CHF2 difluoromethyl radical 2ACs
586 CHFCl Chlorofluoromethyl radical   
587 CHBr2 dibromomethyl radical   
588 CH2CHF Ethene, fluoro- 1A'Cs
589 CH3OCl methyl hypochlorite 1A'Cs
590 CH2CH2Cl 2-chloroethyl radical 2A'Cs
591 CHClCH3 1-chloroethyl radical 2AC1
592 C4 Carbon tetramer 3ΣgD∞h
593 C4H2+ diacetlyene cation 2ΠgD∞h
594 CH3CHCHCH2 methylallyl radical 2A"Cs
595 C(CH3)3 Tert-butyl radical 2A"C3v
596 CH2CH(CH3)2 Isobutyl radical 2A'C1
597 CH3CHCH2CH3 2-Butyl radical 1AC1
598 C2N2+ Cyanogen cation 2ΠgD∞h
599 HCCCN+ Cyanoacetylene cation 2ΠC∞v
600 C3H3N+ acrylonitrile cation 2A"Cs
601 NO3+ nitrogen trioxide cation 1A1C2v
602 NO3+ nitrogen trioxide cation 1A1'D3h
603 SO3- Sulfur trioxide anion 2A1pyramidal
604 SO3- Sulfur trioxide anion 2A2"planar
605 SO3+ Sulfur trioxide cation 2A2'D3h
606 HSO3 Hydroxysulfonyl radical 2AC1
607 C2H2O2 Ethanedial 1AgC2h
608 CH3COCH2 Acetonyl radical 2A"Cs
609 C2H5OO ethylperoxy radical 2A'Cs
610 CH3COCH3- acetone anion 2A'Cs
611 C2Cl2+ dichloroacetylene cation 2ΠUD∞h
612 BrONO Bromine nitrite 1A'CS trans
613 CF2O+ Carbonic difluoride cation   
614 COFCl Carbonic chloride fluoride 1A'Cs
615 COBr2 Carbonic dibromide 1A1C2v
616 BF3- Borane, trifluoro- anion 2A1D3h
617 BF3- Borane, trifluoro- anion 2A1C3v
618 BF3+ boron trifluoride cation 2A2'D3h
619 BF3+ boron trifluoride cation 2B2C2v
620 BF3+ boron trifluoride cation   
621 BCl3+ Boron Trichloride cation   
622 CF3 Trifluoromethyl radical 2A1C3v
623 CF3- Trifluoromethyl anion 1A1C3v
624 CF3+ Trifluoromethyl cation 1A1'D3h
625 CF2Cl difluorochloromethyl radical   
626 SiF3 Silicon trifluoride radical 2A1C3v
627 SiF3+ Silicon trifluoride cation 1A1'D3h
628 CFCl2 dichlorofluoromethyl radical   
629 CCl3 Trichloromethyl radical 2A1C3
630 CCl3- Trichloromethyl anion 1A1C3v
631 CCl3+ Trichloromethyl cation 1A1'D3h
632 CBr3 tribromomethyl radical   
633 NF3 Nitrogen trifluoride 1A1C3v
634 NF3- Nitrogen trifluoride anion 2A1C3v
635 NF3- Nitrogen trifluoride anion 2ACs
636 NF3+ Nitrogen trifluoride cation 2A1C3v
637 SF3 Sulfur trifluoride 2A'Cs
638 CHBrF2 Methane, bromodifluoro- 1A'Cs
639 CHBrCl2 Methane, bromodichloro- 1A'Cs
640 CHClBr2 Methane, dibromochloro- 1A'Cs
641 CH2ClCHO chloroacetaldehyde 1AC1 bisecting, trans
642 CH2BrCH2Br Ethane, 1,2-dibromo- 1AgC2h
643 CH3CH2CH2Br n-propyl bromide 1A'Cs
644 CH3CHBrCH3 i-propyl bromide 1A'Cs
645 C5H5 cyclopentadienyl radical 2B1C2v
646 C5H7 cyclopentenyl radical 2A2C2v
647 C5H11 2-Methylbut-2-yl radical 1AC1
648 C3H3N2 imidazolyl radical 2B1C2v
649 C4H4N pyrrolide radical 2A2C2v
650 C3O2+ Carbon suboxide cation 2ΠUD∞h
651 CBrClF2 Methane, bromochlorodifluoro- 1A'Cs
652 CBr4 Carbon tetrabromide 1A1Td
653 C2HF3+ Trifluoroethylene cation 2A"Cs
654 CHCl2CHO dichloroacetaldehyde 1AC1
655 CH3CF2Cl 1-Chloro-1,1-Difluoroethane 1A'Cs
656 C6H5 phenyl 2A1C2v
657 SF5 Sulfur pentafluoride 2A1C4v
658 CF3CHO trifluoroacetaldehyde 1A'Cs
659 CCl3CHO trichloroacetaldehyde 1A'Cs
660 CF3CH2Cl 2,2,2-Trifluoroethyl chloride 1A'Cs
661 C6H5CH2 benzyl radical 2B1Cs
662 C7H7 cycloheptatrienyl radical 2A2C2v
663 C6H13N cyclohexanamine 1AC1
664 C6H5O phenoxy radical 2B1C2v
665 PF6 Hexafluorophosphate neutral 2B2C2v
666 C6H12O2 Methyl pivalate 1AC1
667 C6H12O2 Hexanoic acid 1A1Cs
668 CF3CF2Cl pentafluorochloroethane 1A'Cs
669 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 Sn Tin atom sn  
53 Sn+ Tin cation sn+  
54 CH- methylidyne anion ch-  
55 CH+ Methylidyne cation ch+  
56 SiH+ silicon monohydride cation sih+  
57 GeH+ Germaniun monohyrdide cation geh+  
58 CD4 methane-d4 cd4  
59 CH2D2 methane-d2 ch2d2  
60 CH3D methane-d ch3d  
61 CH4 Methane ch4  
62 CH4- Methane anion ch4-  
63 CH4+ Methane cation ch4+  
64 CHD3 methane-d3 chd3  
65 SiH2D2 silane-d2 sih2d2  
66 SiH4 Silane sih4  
67 GeH4 Germane geh4  
68 SnH4 Stannane snh4  
69 SiH5+ Silane, protonated sih5+  
70 Sb Antimony atom sb  
71 NH- Imidogen anion nh-  
72 NH+ imidogen cation nh+  
73 PH- phosphorus monohydride anion ph-  
74 PH+ phosphorus monohydride cation ph+  
75 SbH Antimony monohydride sbh  
76 NH2- amino anion nh2-  
77 AsH2+ Arsenic dihydride cation ash2+  
78 ND3 Ammonia-d3 nd3  
79 NH3 Ammonia nh3  
80 PH3 Phosphine ph3  
81 AsH3 Arsine ash3  
82 SbH3 Stibine sbh3  
83 AsH4+ Arsonium ash4+  
84 NH4+ ammonium cation nh4+  
85 PH4+ phosphonium cation ph4+  
86 Cr Chromium atom cr  
87 Te Tellurium atom te  
88 Te+ Tellurium atom cation te+  
89 OH- hydroxide anion oh-  
90 HSe- selenium monohydride anion hse-  
91 TeH Telluryl radical teh  
92 D2O Deuterium oxide d2o  
93 H2O Water h2o  
94 HDO Water-d1 hdo  
95 D2S Hydrogen sulfide-d2 d2s  
96 H2S Hydrogen sulfide h2s  
97 H2Te Hydrogen Telluride h2te  
98 H3O+ hydronium cation h3o+  
99 H3Se+ Hydrogen Selenide, protonated h3se+  
100 Mn Manganese atom mn  
101 I- Iodine atom anion iodine-  
102 I+ Iodine atom cation iodine+  
103 DF Hydrofluoric acid-d df  
104 HF Hydrogen fluoride hf  
105 DCl Hydrochloric acid-d dcl  
106 HCl Hydrogen chloride hcl  
107 HI Hydrogen iodide hi  
108 H2F+ dihydrogen fluoride cation h2f+  
109 H2Br+ protonated hydrogen bromide h2br+  
110 H2I+ Iodonium h2i+  
111 Ne Neon atom ne  
112 Ar Argon atom ar  
113 Fe Iron atom fe  
114 Kr Krypton atom kr  
115 Xe Xenon atom xe  
116 HeLi+ Helium Lithium cation heli+  
117 NeH+ neon hydrogen cation neh+  
118 KrH+ Protonated Krypton krh+  
119 XeH+ Xenon, protonated xeh+  
120 H2Ar H2 Ar dimer h2ar  
121 Co Cobalt atom cobalt  
122 Ni Nickel atom ni  
123 Li2 Lithium diatomic li2  
124 Li2- lithium diatomic anion li2-  
125 NaLi lithium sodium lina  
126 NaLi- lithium sodium anion lina-  
127 NaLi+ lithium sodium cation lina+  
128 LiK Lithium Potassium lik  
129 Na2 Sodium diatomic na2  
130 NaK Sodium Potassium nak  
131 K2 Potassium diatomic k2  
132 Cu2 Copper diatomic cu2  
133 Be2 Beryllium diatomic be2  
134 Be2+ Beryllium diatomic cation be2+  
135 BeMg Beryllium Magnesium bemg  
136 Mg2 Magnesium diatomic mg2  
137 Mg2- magnesium diatomic anion mg2-  
138 Mg2+ magnesium diatomic cation mg2+  
139 Ca2 Calcium diatomic ca2  
140 LiAl Lithium Aluminum lial  
141 NaAl Sodium aluminum naal  
142 B2- Boron diatomic anion b2-  
143 Al2 Aluminum diatomic al2  
144 Al2- aluminum diatomic anion al2-  
145 Al2+ aluminum diatomic cation al2+  
146 LiBH4 Lithium borohydride libh4  
147 B2H4 Diborane(4) D2d b2h4  
148 HBHHBH Diborane(4) C2V hbhhbh  
149 B2H6 Diborane b2h6  
150 Al2H6 dialane al2h6  
151 Ga2H6 digallane ga2h6  
152 BC+ boron monocarbide cation bc+  
153 C2 Carbon diatomic c2  
154 C2- carbon diatomic anion c2-  
155 Si2- silcon diatomic anion si2-  
156 Si2+ silcon diatomic cation si2+  
157 C2H- Ethynyl anion c2h-  
158 C2H+ Ethynyl cation c2h+  
159 C2H2 Acetylene c2h2  
160 Si2H2 disilyne si2h2  
161 CuCH3 monomethyl copper cuch3  
162 CH2BH methyleneborane ch2bh  
163 C2H3- vinyl anion c2h3-  
164 C2H4 Ethylene c2h4  
165 CH2SiH2 silaethylene ch2sih2  
166 Si2H4 Disilene si2h4  
167 CH3BH2 methylborane ch3bh2  
168 C2H5- Ethyl anion c2h5-  
169 C2H5+ Ethyl cation c2h5+  
170 C2H6 Ethane c2h6  
171 CH3SiH3 methyl silane ch3sih3  
172 Si2H6 disilane si2h6  
173 GeH3CH3 methyl germane geh3ch3  
174 C2H7+ Ethane, protonated c2h7+  
175 BeN+ Beryllium mononitride cation ben+  
176 BN- boron nitride anion bn-  
177 AlN- aluminum mononitride anion aln-  
178 AlN+ aluminum mononitride cation aln+  
179 BN+ boron nitride cation bn+  
180 AlN Aluminum nitride aln  
181 CN- cyanide anion cn-  
182 CN+ Cyano cation cn+  
183 CP- carbon monophosphide anion cp-  
184 CP+ carbon monophosphide cation cp+  
185 SiN- silicon mononitride anion sin-  
186 SiN+ silicon mononitride cation sin+  
187 TiN Titanium mononitride tin  
188 N2 Nitrogen diatomic n2  
189 PN Phosphorus mononitride pn  
190 PN- phosphorus nitride anion pn-  
191 PN+ phosphorus nitride cation pn+  
192 P2 Phosphorus diatomic p2  
193 P2- phosphorus diatomic anion p2-  
194 P2+ phosphorus diatomic cation p2+  
195 AsN Arsenic mononitride asn  
196 AsP Arsenic monophosphide asp  
197 SbN Antimony nitride sbn  
198 As2 Arsenic diatomic as2  
199 HNC hydrogen isocyanide hnc  
200 HCN Hydrogen cyanide hcn  
201 HCN- Hydrogen cyanide anion hcn-  
202 HCP Phosphaethyne hcp  
203 NNH+ Dinitrogen monohydride cation nnh+  
204 HPO Hydrogen phosphorus oxide hpo  
205 LiNH2 lithium amide linh2  
206 HBNH Boranimine hbnh  
207 CNH2+ N-protonated hydrogen isocyanide cnh2+  
208 HCNH+ N-protonated HCN hcnh+  
209 H2NN Isodiazene h2nn  
210 N2H2 (E)-diazene n2h2  
211 N2H2 (Z)-Diazene n2h2z  
212 CH2NH Methanimine ch3n  
213 CHNH2 aminomethylene chnh2  
214 CH2PH Phosphaethene ch3p  
215 BH2NH2 Boranamine bh2nh2  
216 CH2NH2+ methyleneamine cation ch2nh2+  
217 N2H4 Hydrazine n2h4  
218 P2H4 Diphosphine p2h4  
219 CH3NH2 methyl amine ch3nh2  
220 CH3PH2 Methyl phosphine ch3ph2  
221 SiH3NH2 Silane, amino sih3nh2  
222 N2H5+ protonated hydrazine n2h5+  
223 BH3PH3 borane phosphine bh3ph3  
224 BH3NH3 borane ammonia bh3nh3  
225 CH3NH3+ protonated methylamine ch3nh3+  
226 CH3PH3+ methyl phosphine, protonated ch3ph3+  
227 NH3NH3 Ammonia Dimer nh3nh3  
228 N2H7+ ammonia ammonium dimer n2h7+  
229 NaO- sodium oxide anion nao-  
230 NaO+ sodium oxide cation nao+  
231 BeO beryllium oxide beo  
232 BeS beryllium sulfide bes  
233 MgO magnesium oxide mgo  
234 MgO- magnesium oxide anion mgo-  
235 MgO+ magnesium oxide cation mgo+  
236 CaO Calcium monoxide cao  
237 MgS magnesium sulfide mgs  
238 MgS- magnesium sulfide anion mgs-  
239 MgS+ magnesium sulfide cation mgs+  
240 CaS Calcium sulfide cas  
241 ZnO zinc monoxide zno  
242 ZnS Zinc sulfide zns  
243 BeS- Beryllium monosulfide anion bes-  
244 BeS+ Beryllium monosulfide cation bes+  
245 AlO- Aluminum monoxide anion alo-  
246 AlO+ aluminum monoxide cation alo+  
247 BS- boron monosulfide anion bs-  
248 BS+ boron monosulfide cation bs+  
249 AlS- aluminum monosulfide anion als-  
250 AlS+ aluminum monosulfide cation als+  
251 BO+ boron monoxide cation bo+  
252 CO Carbon monoxide co  
253 CS carbon monosulfide cs  
254 CS- carbon monosulfide anion cs-  
255 CS+ carbon monosulfide cation cs+  
256 SiO Silicon monoxide sio  
257 SiO- silicon monoxide anion sio-  
258 SiO+ silicon monoxide cation sio+  
259 SiS silicon monosulfide sis  
260 SiS- silicon monosulfide anion sis-  
261 SiS+ silicon monosulfide cation sis+  
262 CSe Carbon monoselenide cse  
263 CSe- Carbon monoselenide anion cse-  
264 CSe+ Carbon monoselenide cation cse+  
265 GeO Germanium monoxide geo  
266 GeS Germanium monosulfide ges  
267 SiSe Silicon Monoselenide sise  
268 GeSe Germanium monoselenide gese  
269 NO+ nitric oxide cation no+  
270 NS+ nitrogen sulfide cation ns+  
271 PO- phosphorus monoxide anion po-  
272 PO+ phosphorus monoxide cation po+  
273 PS- phosphorus monosulfide anion ps-  
274 PS+ phosphorus monosulfide cation ps+  
275 O2-- dioxygen dianion o2--  
276 SO- sulfur monoxide anion so-  
277 S2- sulfur diatomic anion s2-  
278 S2+ sulfur diatomic cation s2+  
279 SeO- selenium monoxide anion seo-  
280 SeO+ selenium monoxide cation seo+  
281 SeS Selenium monosulfide ses  
282 SeS- selenium monosulfide anion ses-  
283 SeS+ selenium monosulfide cation ses+  
284 TeO Tellurium monoxide teo  
285 Se2- selenium diatomic anion se2-  
286 Se2+ selenium diatomic cation se2+  
287 Te2 Tellurium diatomic te2  
288 LiOH lithium hydroxide lioh  
289 NaOH sodium hydroxide naoh  
290 KOH Potassium hydroxide koh  
291 CaOH Calcium monohydroxide caoh  
292 HBO Boron hydride oxide hbo  
293 HBS hydrogen boron sulfide hbs  
294 COH+ Carbon Monoxide, protonated coh+  
295 HCS- Thioformyl anion hcs-  
296 HNS Sulfur imide hns  
297 HSO+ Sulfur Monoxide, S-protonated HSO+  
298 H2CO Formaldehyde h2co  
299 HOCH hydroxycarbene hoch  
300 H2CS Thioformaldehyde h2cs  
301 H2CSe Selenoformaldehyde h2cse  
302 H2O2 Hydrogen peroxide h2o2  
303 H2OO water oxide h2oo  
304 HOSH hydrogen thioperoxide hosh  
305 H2S2 Disulfane h2s2  
306 H2Se2 hydrogen diselenide h2se2  
307 CH2OH+ hydroxymethyl cation ch2oh+  
308 CH3O- methoxy anion ch3o-  
309 H2CSH+ Thioformaldehyde, protonated h2csh+  
310 NH2OH hydroxylamine nh2oh  
311 NH3O Ammonia Oxide nh3o  
312 H2POH Phosphinous acid h2poh  
313 H3PO Phosphine oxide h3po  
314 NH2SH Thiohydroxylamine nh2sh  
315 NH3S sulfidoazane nh3s  
316 H3O2+ hydrogen peroxide, protonated h3o2+  
317 CH3OH Methyl alcohol ch3oh  
318 CH3SH Methanethiol ch3sh  
319 SiH3OH silanol sih3oh  
320 CH3SeH Methane selenol ch3seh  
321 H2OH2O water dimer h2oh2o  
322 CH3OH2+ Methanol, protonated ch3oh2+  
323 CH3SH2+ protonated methylsulfide ch3sh2+  
324 H2ONH3 Water Ammonia Dimer h2onh3  
325 H5O2+ Dihydroxonium ion h5o2+  
326 LiF lithium fluoride lif  
327 LiCl lithium chloride licl  
328 LiCl- lithium chloride anion licl-  
329 LiCl+ lithium chloride cation licl+  
330 NaF sodium fluoride naf  
331 NaF- sodium fluoride anion naf-  
332 KF Potassium Fluoride kf  
333 NaCl Sodium Chloride nacl  
334 NaCl- sodium chloride anion nacl-  
335 NaCl+ sodium chloride cation nacl+  
336 KCl Potassium Chloride kcl  
337 CuF Copper monofluoride cuf  
338 LiBr Lithium Bromide libr  
339 LiBr- lithium bromide anion libr-  
340 LiBr+ lithium bromide cation libr+  
341 CuCl Copper monochloride cucl  
342 NaBr Sodium Bromide nabr  
343 NaBr- sodium bromide anion nabr-  
344 NaBr+ sodium bromide cation nabr+  
345 KBr Potassium Bromide kbr  
346 LiI Lithium Iodide lii  
347 NaI Sodium Iodide nai  
348 KI Potassium Iodide ki  
349 MgF- magnesium fluoride anion mgf-  
350 MgF+ magnesium fluoride cation mgf+  
351 CaF Calcium monofluoride caf  
352 MgCl- magnesium monochloride anion mgcl-  
353 MgCl+ magnesium monochloride cation mgcl+  
354 ZnF- Zinc monofluoride anion znf-  
355 ZnF+ Zinc monofluoride cation znf+  
356 BeCl- beryllium monochloride anion becl-  
357 BeCl+ beryllium monochloride cation becl+  
358 BF Boron monofluoride bf  
359 BF- Boron monofluoride anion bf-  
360 BF+ Boron monofluoride cation bf+  
361 AlF Aluminum monofluoride alf  
362 AlF- Aluminum monofluoride anion alf-  
363 AlF+ Aluminum monofluoride cation alf+  
364 BCl boron monochloride bcl  
365 BCl- boron monochloride anion bcl-  
366 BCl+ boron monochloride cation bcl+  
367 AlCl Aluminum monochloride alcl  
368 AlCl- aluminum monochloride anion alcl-  
369 AlCl+ aluminum monochloride cation alcl+  
370 ScF Scandium monofluoride scf  
371 BBr Boron monobromide bbr  
372 AlBr Aluminum monobromide albr  
373 AlI Aluminum monoiodide ali  
374 GaBr Gallium monobromide gabr  
375 CF- carbon monofluoride anion cf-  
376 CF+ carbon monofluoride cation cf+  
377 CCl- carbon monochloride anion ccl-  
378 CCl+ carbon monochloride cation ccl+  
379 SiF+ silicon monofluoride cation sif+  
380 SiCl- silicon monochloride anion sicl-  
381 SiCl+ silicon monochloride cation sicl+  
382 GeF+ Germanium monofluoride cation gef+  
383 GeCl+ Germanium monochloride cation gecl+  
384 NF- nitrogen monofluorine anion nf-  
385 NF+ nitrogen monofluoirde cation nf+  
386 PF- phosphorus monofluoride anion pf-  
387 PF+ phosphorus monofluoride cation pf+  
388 PCl phosphorus chloride pcl  
389 PCl- phosphorus monochloride anion pcl-  
390 PCl+ phosphorus monochloride cation pcl+  
391 SbF Antimony monofluoride sbf  
392 SbCl Antimony monochloride sbcl  
393 FO- flourine oxide anion fo-  
394 FO+ fluorine monoxide cation fo+  
395 ClO- chlorine monoxide anion clo-  
396 SF- sulfur monofluoride anion sf-  
397 SCl- sulfur monochloride anion scl-  
398 BrO- Bromine monoxide anion bro-  
399 IO Iodine monoxide io  
400 BrCl Bromine monochloride brcl  
401 F2 Fluorine diatomic f2  
402 ClF- clorine monofluoride anion clf-  
403 Cl2 Chlorine diatomic cl2  
404 BrF Bromine monofluoride brf  
405 BrF- bromine fluoride anion brf-  
406 BrF+ bromine fluoride cation brf+  
407 BrCl- bromine chloride anion brcl-  
408 BrCl+ bromine chloride cation brcl+  
409 IF Iodine monofluoride if  
410 Br2 Bromine diatomic br2  
411 ICl Iodine monochloride icl  
412 IBr Iodine monobromide ibr  
413 I2 Iodine diatomic i2  
414 HCF Fluoromethylene hcf  
415 HCCl Chloromethylene hccl  
416 HSiF fluorosilylene hsif  
417 HSiCl Chlorosilylene hsicl  
418 HSiBr monobromosilylene hsibr  
419 CHBr bromomethylene chbr  
420 HOF Hypofluorous acid hfo  
421 DOCl Hypochlorous acid-d docl  
422 HOCl hypochlorous acid hocl  
423 HOBr Hypobromous acid hobr  
424 HOI Hypoiodous acid hoi  
425 F2H+ Fluorine, protonated f2h+  
426 FHF Hydrogen difluoride fhf  
427 ClFH+ Chlorine fluoride, F-protonated clfh+  
428 FClH+ Chlorine fluoride, Cl-protonated fclh+  
429 Cl2H+ Chlorine, protonated cl2h+  
430 CH2F+ fluoromethyl cation ch2f+  
431 CH2Cl+ chloromethyl cation ch2cl+  
432 NH2F monofluoroamine nh2f  
433 NH2Cl chloramine nh2cl  
434 H2F2 Hydrogen fluoride dimer h2f2  
435 CD3F methylfluoride-d3 cd3f  
436 CH3F Methyl fluoride ch3f  
437 CD3Cl methyl chloride d3 cd3cl  
438 CH3Cl Methyl chloride ch3cl  
439 SiH3F monofluorosilane sih3f  
440 SiH3Cl chlorosilane sih3cl  
441 GeH3F monofluorogermane geh3f  
442 GeH3Cl monochlorogermane geh3cl  
443 SiH3Br bromosilane sih3br  
444 CH3I methyl iodide ch3i  
445 SiH3I Silyl Iodide sih3i  
446 NH3Cl+ protonated monochloroammonia nh3cl+  
447 CH3ClH+ methyl chloride, protonated ch3clh+  
448 NH4Cl Ammonium chloride nh4cl  
449 LiNe+ Lithium Neon cation line+  
450 Ne2 Neon diatomic ne2  
451 Ar2 Argon diatomic ar2  
452 Li3+ Lithium trimer cation li3+  
453 SiC2 Silicon dicarbide sic2  
454 C3H3+ cyclopropenyl cation cpr+  
455 C3H4 cyclopropene cprop  
456 CH2CCH2 allene allene  
457 CH3CCH propyne propyne  
458 C3H5+ Allyl cation allyl+  
459 Zn(CH3)2 dimethyl zinc dmz  
460 C3H6 Cyclopropane c3h6  
461 CH2CHCH3 Propene propene  
462 C3H7+ cyclopropane, protonated c3h7+  
463 CH3CHCH3+ Isopropyl cation prop2yl+  
464 C3H8 Propane propane  
465 SiH2(CH3)2 dimethylsilane dms  
466 Si3H8 trisilane si3h8  
467 NaCN Sodium Cyanide nacn  
468 KCN Potassium cyanide kcn  
469 CuCN Copper cyanide cucn  
470 AlCN Aluminum monocyanide alcn  
471 AlNC Aluminum isocyanide alnc  
472 CN2 3H-Diazirin-3-ylidene cn2  
473 N3- azide anion n3-  
474 HCNN diazomethyl radical hcnn  
475 HNCNH diiminomethane hncnh  
476 CH2N2 diazirine ch2n2  
477 CH2NN diazomethane ch2nn  
478 NH2CN cyanamide cyanamide  
479 HNNNH+ 1,2-Triazadienium n2h3+  
480 NH2NN+ hydrazoic acid, protonated nh2nn+  
481 CH3CN Acetonitrile ch3cn  
482 CH3NC methyl isocyanide ch3nc  
483 CHNCH2 2H-Azirine c157164  
484 CHNHCH 1H-Azirine chnhch  
485 H2CCNH Ethenimine ch2cnh  
486 H2CNCH methyleneaminomethylene ch2nch  
487 HCCNH2 Ethynamine hccnh2  
488 HNCNH2+ diiminomethane, protonated hncnh2+  
489 NCNH3+ Cyanamide, protonated ncnh3+  
490 NH2CNH+ cyanamide, cn protonated nh2cnh+  
491 NH3CN+ cyanamide, amine protonated nh3cn+  
492 NHCHNH2 aminomethanimine cn2h4  
493 C2H5N Aziridine c2h5n  
494 CH2CHNH2 aminoethene aminoethene  
495 CH2NCH3 N-methylmethanimine nmm  
496 CH3CHNH ethanimine ethanimine  
497 NH2BHNH2 diaminoborane nh2bhnh2  
498 C2H5NH+ Protonated Aziridine c2h5nh+  
499 C2H6N+ aziridine, protonated c2h6n+  
500 NH2CH2NH2 diaminomethane nh2ch2nh2  
501 CH3CH2NH2 Ethylamine etam  
502 CH3NHCH3 Dimethylamine ch3nhch3  
503 CH3PHCH3 dimethylphosphine ch3phch3  
504 NH2CH2NH3+ diaminoethane, protonated pdam  
505 (CH3)2NH2+ dimethylammonium cation dmam  
506 CH3CH2NH3+ ethylamine, protonated pea  
507 Li2O dilithium oxide li2o  
508 Li2S dilithium sulfide li2s  
509 Na2O disodium monoxide na2o  
510 Na2S Sodium sulfide na2s  
511 CNO- fulminate cno-  
512 NCO- cyanate nco-  
513 SCN- thiocyanide anion scn-  
514 BO2- Boron dioxide anion bo2-  
515 NNS Nitrogen sulfide nns  
516 PPO Phosphorus oxide phosphide ppo  
517 CO2 Carbon dioxide co2  
518 OCS Carbonyl sulfide cos  
519 SiO2 silicon dioxide sio2  
520 CS2 Carbon disulfide cs2  
521 TiO2 Titanium dioxide tio2  
522 SiS2 Silicon disulfide sis2  
523 GeO2 Germanium dioxide geo2  
524 OCSe Carbonyl selenide ocse  
525 SCSe Carbon sulfide selenide scse  
526 GeS2 Germanium disulfide ges2  
527 CSe2 Carbon diselenide cse2  
528 SCTe Carbon sulfide Telluride scte  
529 PO2- Phosphorus dioxide anion po2-  
530 O3 Ozone o3  
531 SSO Disulfur monoxide sso  
532 S3 Sulfur trimer s3  
533 SeO2 Selenium dioxide seo2  
534 TeO2 Tellurium Dioxide teo2  
535 CS2H+ Carbon disulfide, protonated cs2h+  
536 HCNO fulminic acid hcno  
537 HNCO Isocyanic acid hnco  
538 HOCN cyanic acid hocn  
539 HNCS Isothiocyanic acid hncs  
540 HSCN thiocyanic acid hscn  
541 HCO2- formate anion hco2-  
542 HNNO nitrosoazane hnno  
543 HNNO+ Nitrous oxide, N-protonated hnno+  
544 NNOH+ Nitrous Oxide, O-protonated nnoh+  
545 HNO2 Nitrous acid hno2  
546 O3H+ protonated ozone o3h+  
547 SO2H+ protonated sulfur dioxide so2h+  
548 C2H2O Oxirene oxirene  
549 CH2CO Ketene ch2co  
550 HCCOH ethynol hccoh  
551 CH2CS Thioketene ch2cs  
552 Be(OH)2 Beryllium hydroxide beo2h2  
553 Mg(OH)2 Magnesium dihydroxide h2mgo2  
554 NH2NO Nitrosamide nh2no  
555 CH2O2 Dioxirane diox  
556 H2COO Dioxymethyl radical h2coo  
557 H2COO+ dioxymethyl cation h2coo+  
558 HCOOH Formic acid ch2o2  
559 H2O3 Hydrogen trioxide h2o3  
560 HSSSH trisulfane hsssh  
561 NaOCH3 Sodium methoxide naoch3  
562 CH2BOH hydroxy(methylene)borane ch2boh  
563 BH3CO Borane carbonyl bh3co  
564 CH3BO Borane, methyloxo- ch3bo  
565 CH2COH+ ketene, protonated ch2coh+  
566 CH3CO- Acetyl anion ch3co-  
567 CH3CO+ acetyl cation ch3co+  
568 CH2NOH formaldoxime ch2noh  
569 CH3NO nitrosomethane ch3no  
570 CHONH2 formamide formamide  
571 CNOH3 1,2-oxaziridine cnoh3  
572 HOCHNH hydroxymethylimine hochnh  
573 CHSNH2 thioformamide chsnh2  
574 NHCHSH Methanimidothioic acid nhchsh  
575 CH3OO- methylperoxy anion ch3oo-  
576 C2H4O Ethylene oxide c2h4o  
577 CH2CHOH ethenol ch2choh  
578 CH3CHO Acetaldehyde ch3cho  
579 C2H4S Thiirane thiirane  
580 CH2CHSH Ethenethiol ch2chsh  
581 CH3CHS Thioacetaldehyde ch3chs  
582 H2CONH2+ protonated formamide h2conh2+  
583 NH2CHOH+ Formamide, O-protonated nh2choh+  
584 NH3CHO+ Formamide, N-Protonated nh3cho+  
585 CH2(OH)2 methanediol ch2o2h2  
586 CH3OOH Methyl peroxide ch3ooh  
587 CH3SSH Hydrogen methyl disulfide ch3ssh  
588 HSCH2SH Methanedithiol ch4s2  
589 H2OH2CO water formaldehyde dimer h2oh2co  
590 C2H4OH+ ethylene oxide, protonated c2h4oh+  
591 CH3CHOH+ acetaldehyde, protonated ch3choh+  
592 NH2CH2OH aminomethanol nh2ch2oh  
593 CH3CH2OH Ethanol etoh  
594 CH3OCH3 Dimethyl ether meome  
595 CH3SCH3 Dimethyl sulfide mesme  
596 CH3SeCH3 dimethylselenide dmse  
597 CH3OHH2O methanol water dimer ch3ohh2o  
598 H2OCH3OH water methanol dimer h2och3oh  
599 CNF iso cyanogen fluoride cnf  
600 FCN Cyanogen fluoride fcn  
601 ClCN chlorocyanogen clcn  
602 BrCN Cyanogen bromide brcn  
603 ICN Cyanogen iodide icn  
604 FBO Boron monofluoride monoxide fbo  
605 BeF2 Beryllium fluoride bef2  
606 MgF2 Magnesium fluoride mgf2  
607 BeCl2 Beryllium chloride becl2  
608 MgCl2 Magnesium dichloride mgcl2  
609 CaCl2 Calcium Chloride cacl2  
610 ZnCl2 Zinc dichloride zncl2  
611 BeBr2 Beryllium bromide bebr2  
612 CaBr2 Calcium dibromide cabr2  
613 CaF2 Calcium difluoride caf2  
614 FCO+ Carbonyl fluoride cation fco+  
615 FNO Nitrosyl fluoride fno  
616 ClNO Nitrosyl chloride clno  
617 FNS Thionitrosyl fluoride fns  
618 FSN Thiazyl fluoride fsn  
619 OPCl Phosphorus oxychloride opcl  
620 INO Nitrosyl iodide ino  
621 CF2 Difluoromethylene cf2  
622 CFCl chlorofluoromethylene cfcl  
623 CCl2 dichloromethylene ccl2  
624 SiCl2 Dichlorosilylene sicl2  
625 GeF2 Germanium difluoride gef2  
626 GeCl2 Germanium dichloride gecl2  
627 CBr2 dibromomethylene cbr2  
628 PF2+ Phosphorus difluoride cation pf2+  
629 FClO chlorosyl fluoride fclo  
630 F2O Difluorine monoxide f2o  
631 ClOF Chlorine hypofluorite clof  
632 SF2 sulfur difluoride sf2  
633 Cl2O Dichlorine monoxide cl2o  
634 SCl2 Sulfur dichloride scl2  
635 SeF2 Selenium difluoride sef2  
636 SeCl2 Selenium Dichloride secl2  
637 SBr2 Sulfur dibromide sbr2  
638 SeBr2 Selenium dibromide sebr2  
639 F3- trifluoride anion f3-  
640 Cl3- trichloride anion cl3-  
641 Br3- tribromide anion br3-  
642 I3- triiodide i3-  
643 SFCl Sulfur chloride fluoride sfcl  
644 HCCF Fluoroacetylene hccf  
645 HCCCl Chloroacetylene hcccl  
646 HCCBr bromoacetylene hccbr  
647 HFCO formyl fluoride hfco  
648 BHF2 Difluoroborane bhf2  
649 BHCl2 Borane, dichloro- bhcl2  
650 CHF2+ difluoromethyl cation chf2+  
651 CHFCl+ Chlorofluoromethyl cation chfcl+  
652 CHCl2+ dichloromethyl cation chcl2+  
653 HOClO Chlorous acid hoclo  
654 NHF2 difluoramine nhf2  
655 NHCl2 dichloroamine nhcl2  
656 CH2F2 Methane, difluoro- ch2f2  
657 CH2FCl fluorochloromethane ch2fcl  
658 SiH2F2 difluorosilane sih2f2  
659 CH2Cl2 Methylene chloride ch2cl2  
660 CH2BrF Methane, bromofluoro- ch2fbr  
661 CH2BrCl Methane, bromochloro- ch2clbr  
662 CH2FI fluoroiodomethane ch2fi  
663 CH2Br2 dibromomethane ch2br2  
664 CH2ClI chloroiodomethane ch2cli  
665 CH2BrI bromoiodomethane ch2bri  
666 CH2I2 Diiodomethane ch2i2  
667 SiH2Cl2 dichlorosilane sih2cl2  
668 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
669 CH2CHF+ fluoroethene cation ch2chf+  
670 C2H3Cl Ethene, chloro- ch2chcl  
671 C2H3Br vinyl bromide c2h3br  
672 C2H3I Vinyl iodide c2h3i  
673 CH2FOH fluoromethanol ch2foh  
674 C2H5F fluoroethane c2h5f  
675 CH3CH2Cl Ethyl chloride c2h5cl  
676 CH3SiFH2 fluoromethylsilane ch3sifh2  
677 C2H5Br Ethyl bromide etbr  
678 C2H5I Ethyl iodide c2h5i  
679 KrF2 Krypton difluoride krf2  
680 XeF2 Xenon difluoride xef2  
681 B4H10 Tetraborane(10) b4h10  
682 C4+ Carbon tetramer cation c4+  
683 C4H2 Diacetylene c4h2  
684 C2H3CCH 1-Buten-3-yne c2h3cch  
685 C4H4 cyclobutadiene cbd  
686 C4H4 Tetrahedrane c4h4  
687 H2CCCCH2 Butatriene h2cccch2  
688 C4H6 1-Methylcyclopropene c3100047  
689 C4H6 Cyclobutene c822355  
690 C4H6 Methylenecyclopropane c6142730  
691 CH2CCHCH3 1,2-Butadiene butad12  
692 CH2CHCHCH2 1,3-Butadiene c106990  
693 CH3CCCH3 2-Butyne c503173  
694 CHCCH2CH3 1-Butyne c107006  
695 C4H8 methylcyclopropane mcp  
696 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
697 CH2CHCH2CH3 1-Butene bute1  
698 CH3CHCHCH3 2-Butene, (E)- bute2e  
699 CH3CHCHCH3 2-Butene, (Z)- bute2z  
700 B(CH3)3 trimethylborane bme3  
701 Al(CH3)3 trimethyl aluminum tma  
702 CH3CH(CH3)CH3 Isobutane isobutane  
703 CH3CH2CH2CH3 Butane butane  
704 SiH(CH3)3 trimethylsilane trimsi  
705 Li3N trilithium nitride li3n  
706 C2N2 Cyanogen c2n2  
707 P4 Phosphorus tetramer p4  
708 As4 Arsenic tetramer as4  
709 HCCCN Cyanoacetylene hcccn  
710 H2CNCN cyanamide, methylene ch2ncn  
711 HNCCNH Ethenediimine hnccnh  
712 C3H3N acrylonitrile ch2chcn  
713 CH3N3 methyl azide ch3n3  
714 NH2CCNH2 Diaminoacetylene daa  
715 NH2CH2CN Aminoacetonitrile aan  
716 CH3NHN2+ methyl azide, protonated ch3nhn2+  
717 C2H5CN ethyl cyanide c2h5cn  
718 CH5N3 Guanidine guanidine  
719 C4H6 Bicyclo[1.1.0]butane c157335  
720 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
721 H2NCHCHNH2 diaminoethylene dae  
722 CH6N3+ guanidinium ch6n3+  
723 C3H7N Cyclopropylamine cpram  
724 CH7N3 triaminomethane tam  
725 C3H7N Azetidine azet  
726 C4H8 cyclobutane cbutane  
727 C2H8N2 Ethylenediamine ethdiam  
728 CH3NHNHCH3 dimethyl hydrazine dmh  
729 CH3CH(NH2)CH3 2-Propanamine pram2  
730 N(CH3)3 Trimethylamine trimeam  
731 NH2CH2CH2CH3 1-Propanamine pram1  
732 P(CH3)3 trimethylphosphine tmp  
733 N(SiH3)3 trisilylamine tsa  
734 As(CH3)3 trimethyl arsine tmas  
735 (CH3)3NH+ protonated trimethyl amine ptma  
736 C3H7NH3+ n-propylamine, protonated c3h7nh2  
737 Li2O2 dilithium dioxide li2o2  
738 Na2O2 disodium dioxide na2o2  
739 K2O2 dipotassium dioxide k2o2  
740 C3O Tricarbon monoxide c3o  
741 B2O2 Diboron dioxide b2o2  
742 ONNO NO dimer onno  
743 S2N2 Disulfur dinitride s2n2  
744 CO3 Carbon trioxide co3  
745 CO3-- carbonate co3--  
746 CS3-- Carbonotrithioate cs3--  
747 NO3- nitrate anion no3-  
748 SO3 Sulfur trioxide so3  
749 SO3-- Sulfate dianion so3--  
750 SeO3 selenium trioxide seo3  
751 S4 Sulfur tetramer s4  
752 TeO3 Tellurium trioxide teo3  
753 HCO3- bicarbonate anion hco3-  
754 HNO3 Nitric acid hno3  
755 NH2NO2 nitramide nh2no2  
756 C2H2CO cyclopropenone c2h2co  
757 C3H2O Propadienal c3h2o  
758 HCCCHO 2-propynal hcccho  
759 C2H2O2+ Ethanedial cation c2h2o2+  
760 H2CO3 Carbonic acid h2co3  
761 H2CS3 thiocarbonic acid h2cs3  
762 H2NO3+ Nitric Acid, Protonated h2no3+  
763 H2SO3 Sulfurous acid h2so3  
764 C2H3NO Nitrosoethylene c2h3no  
765 CH3NCO methylisocyante ch3nco  
766 HOCH2CN cyanomethanol hoch2cn  
767 CH3COO- acetate anion ch3coo-  
768 CH3NO2 Methane, nitro- ch3no2  
769 CH3ONO Methyl nitrite ch3ono  
770 NH2COOH Carbamic acid nh2cooh  
771 H3BO3 Boric acid h3bo3  
772 H3AlO3 Aluminum hydroxide h3alo3  
773 H3CO3+ carbonic acid, protonated h3co3+  
774 C3H4O 2-Propyn-1-ol c107197  
775 C3H4O allenol c9000071  
776 C3H4O Cyclopropanone cpone  
777 C3H4O Methylketene c6004440  
778 CH2CHCHO Acrolein c3h4o  
779 NH2CONH2 Urea urea  
780 NH2CONH2+ Urea cation urea+  
781 NH2CSNH2 Thiourea thiourea  
782 C2H4O2 1,3-dioxetane c2h4o2  
783 CH3COOH Acetic acid ch3cooh  
784 CH3OCHO methyl formate ch3ocho  
785 CHOCH2OH hydroxy acetaldehyde haa  
786 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
787 NH3COOH+ protonated Carbamic acid nh3cooh+  
788 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
789 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
790 HCOOHH2O Formic acid water dimer hcoohh2o  
791 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
792 CH2C(OH)NH2 1-amino vinyl alchohol ava  
793 CH3C(OH)=NH Ethaninidic acid eia  
794 CH3CHNOH Acetaldoxime acetaldoxime  
795 CH3CONH2 Acetamide acetamide  
796 HCONHCH3 N-methylformamide nmfa  
797 CH3CSNH2 Ethanethioamide ch3csnh2  
798 CH5N2O+ urea, N-protonated ch4n2o+  
799 H2NCOHNH2+ urea, protonated ureah+  
800 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
801 C3H5OH Cyclopropanol cproh  
802 C3H6O 2-Propen-1-ol c107186  
803 C3H6O Acetone enol enol  
804 C3H6O Oxetane oxetane  
805 C3H6O Propylene oxide prox  
806 CH3CH2CHO Propanal propanal  
807 CH3COCH3 Acetone acetone  
808 C3H6S Thietane thietane  
809 C3H6S Thiirane, methyl- methiirane  
810 CH3CSCH3 Thioacetone ch3csch3  
811 C2H6O2 1,2-Ethanediol ethdiol  
812 CH3OOCH3 dimethylperoxide dmp  
813 CH3SOCH3 Dimethyl sulfoxide dmso  
814 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
815 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
816 CH3COHCH3+ acetone, protonated acetoneh+  
817 HOCH2CH2NH2 monoethanolamine mea  
818 C3H7OH 1-Propanol proh  
819 CH3CHOHCH3 Isopropyl alcohol isoproh  
820 CH3OC2H5 Ethane, methoxy- etome  
821 C3H7SH 1-Propanethiol prsh  
822 CH3CHSHCH3 2-Propanethiol isoprsh  
823 CH3SCH2CH3 Ethane, (methylthio)- etsme  
824 H2OCH3OCH3 water dimethylether dimer h2och3och3  
825 Li2F2 Lithium fluoride dimer li2f2  
826 Na2F2 Sodium Fluoride Dimer na2f2  
827 Na2Cl2 Disodium dichloride na2cl2  
828 C2F2 difluoroacetylene c2f2  
829 C2Cl2 dichloroacetylene c2cl2  
830 FNO2 Nitryl fluoride fno2  
831 FONO Nitrosyl hypofluorite fono  
832 ClNO2 Nitryl chloride clno2  
833 ClONO chlorine nitrite clono  
834 N2F2 (Z)-Difluorodiazene n2f2_z  
835 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
836 CF2O Carbonic difluoride f2co  
837 CCl2O Phosgene cl2co  
838 Cl2CS Thiophosgene cl2cs  
839 BF3 Borane, trifluoro- bf3  
840 AlF3 Aluminum trifluoride alf3  
841 BClF2 Chlorodifluoroborane bclf2  
842 AlF2Cl Aluminum chloride difluoride alclf2  
843 ScF3 Scandium trifluoride ScF3  
844 AlFCl2 Aluminum dichloride fluoride alcl2f  
845 BCl3 Borane, trichloro- bcl3  
846 GaF3 Gallium trifluoride gaf3  
847 AlCl3 Aluminum trichloride alcl3  
848 GaCl3 Gallium trichloride gacl3  
849 BBr3 Boron tribromide bbr3  
850 AlBr3 Aluminum Bromide albr3  
851 ClO3 Chlorine trioxide clo3  
852 ClO3- chlorate anion clo3-  
853 BrO3- Bromate anion bro3-  
854 SiCl3 trichlorosilyl radical sicl3  
855 SiCl3+ trichlorosilyl cation sicl3+  
856 FOOF Perfluoroperoxide foof  
857 ClO2F Chloryl fluoride clo2f  
858 F2SO Thionyl Fluoride f2so  
859 ClOOCl Dichlorine dioxide cloocl  
860 FSSF Difluorodisulfane fssf  
861 S2F2 Thio-thionyl fluoride s2f2  
862 SOCl2 thionyl chloride socl2  
863 SSCl2 Thiothionyl chloride sscl2  
864 SeOCl2 selenium oxychloride seocl2  
865 PF3 Phosphorus trifluoride pf3  
866 NCl3 nitrogen trichloride ncl3  
867 AsF3 Arsenic trifluoride asf3  
868 PCl3 Phosphorus trichloride pcl3  
869 SbF3 Antimony Trifluoride sbf3  
870 AsCl3 Arsenous trichloride ascl3  
871 SbCl3 Antimony Trichloride sbcl3  
872 NBr3 Nitrogen Tribromide nbr3  
873 PBr3 Phosphorus tribromide pbr3  
874 AsBr3 Arsenic tribromide asbr3  
875 NI3 Nitrogen triiodide ni3  
876 PI3 Phosphorus triiodide pi3  
877 ClSSCl Disulfur dichloride s2cl2  
878 ClF3 Chlorine trifluoride clf3  
879 BrF3 Bromine trifluoride brf3  
880 IF3 iodone trifluoride if3  
881 HClO3 Chloric Acid hclo3  
882 CHF3 Methane, trifluoro- chf3  
883 CHF2Cl difluorochloromethane chf2cl  
884 SiHF3 trifluorosilane sihf3  
885 CHFCl2 fluorodichloromethane chfcl2  
886 CDCl3 trichloromethane-d cdcl3  
887 CHCl3 Chloroform chcl3  
888 SiHCl3 Trichlorosilane sihcl3  
889 CHFClBr fluorochlorobromomethane chfclbr  
890 CHF2I difluoroiodomethane chf2i  
891 CHBr2F dibromofluoromethane chbr2f  
892 CHFClI fluorochloroiodomethane chfcli  
893 CHCl2I dichloroiodomethane chcl2i  
894 CHBr3 bromoform chbr3  
895 CHI3 Iodoform chi3  
896 NF3H+ protonated nitrogen trifluoride nf3h+  
897 AsF3H+ Arsenic trifluoride, protonated asf3h+  
898 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
899 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
900 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
901 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
902 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
903 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
904 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
905 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
906 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
907 C2H2Br2 1,1-dibromoethene c2h2br2  
908 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
909 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
910 CH2FCHO Fluoroacetaldehyde ch2fcho  
911 CH3COF Acetyl fluoride ch3cof  
912 CH3COCl Acetyl Chloride ch3cocl  
913 C2H4F2 1,2-difluoroethane c2h4f2  
914 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
915 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
916 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
917 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
918 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
919 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
920 CH2CFCH3 2-fluoropropene 2fpro  
921 CH2CHCH2F Allyl Fluoride allylf  
922 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
923 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
924 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
925 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
926 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
927 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
928 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
929 CH2FCH2CH3 1-Fluoropropane prf1  
930 CH3CHFCH3 2-Fluoropropane prf2  
931 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
932 CH3CHClCH3 Propane, 2-chloro- prcl2  
933 C3H9O+ trimethyl oxonium cation c3h9o+  
934 B5H9 pentaborane9 b5h9  
935 C5H4 pentatetraene ptrene  
936 C5H5- cylopentadienyl anion c5h5-  
937 C5H6 1,3-Cyclopentadiene c542927  
938 C5H6 1-Buten-3-yne, 2-methyl- c78808  
939 C5H6 3-Penten-1-yne, (E)- c2004695  
940 C5H6 3-Penten-1-yne, (Z)- c1574409  
941 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
942 C5H6 Cyclopropylacetylene c6746947  
943 C5H6 Propellane propellane  
944 C5H7 1,3-pentadienyl radical pdyl  
945 C5H8 1,2-Butadiene, 3-methyl- c598254  
946 C5H8 1,2-Pentadiene c591957  
947 C5H8 1,3-Butadiene, 2-methyl- c78795  
948 C5H8 1,3-Pentadiene, (E)- c2004708  
949 C5H8 1,3-Pentadiene, (Z)- c1574410  
950 C5H8 1,4-Pentadiene c591935  
951 C5H8 1-pentyne a1pentyne  
952 C5H8 2,3-Pentadiene c591968  
953 C5H8 Bicyclo[1.1.1]pentane bcp  
954 C5H8 Cyclobutane, methylene- c1120565  
955 C5H8 Cyclopentene c142290  
956 C5H8 Ethenylcyclopropane c693867  
957 CH3CCCH2CH3 2-Pentyne 2pentyne  
958 C5H10 1-Butene, 2-methyl- c563462  
959 C5H10 2-Butene, 2-methyl- c513359  
960 C5H10 2-Pentene, (E)- c646048  
961 C5H10 2-Pentene, (Z)- c627203  
962 C5H10 Cyclopentane c287923  
963 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
964 CH2CHCH2CH2CH3 1-pentene pentene  
965 C5H12 Butane, 2-methyl- buta2  
966 C5H12 Pentane pentane  
967 C5H12 Propane, 2,2-dimethyl- neopentane  
968 Si(CH3)4 tetramethylsilane tms  
969 N2O3 Dinitrogen trioxide n2o3  
970 C3H2N2 Malononitrile c3h2n2  
971 CH2N4 1H-Tetrazole 1htz  
972 C3H3N2- imidizolyl anion im-  
973 C2H3N3 1H-1,2,4-Triazole c288880  
974 C4H4N- pyrrolide anion c4h4n-  
975 C3H4N2 1H-Imidazole 1himidaz  
976 C3H4N2 1H-Pyrazole 1hpyraz  
977 C3H4N2 2H-Imidazole imid2h  
978 C3H4N2 4H-Imidazole imid4h  
979 C4H5N (E)-2-Butenenitrile c627269  
980 C4H5N (Z)-2-Butenenitrile c1190767  
981 C4H5N 2H-pyrrole pyrrole2  
982 C4H5N 3H-pyrrole pyrrole3  
983 C4H5N Cyclopropanecarbonitrile c5500210  
984 C4H5N Pyrrole pyrrole  
985 CH2CHCH2CN Allylcyanide ch2chch2cn  
986 C4H6N+ pyrrole, alpha-protonated appyr  
987 C4H6N+ pyrrole, beta-protonated bppyr  
988 C4H6N+ pyrrole, protonated ppyr  
989 C3H6N2 3-Aminopropionitrile c151188  
990 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
991 CH3CH2CH2CN Butanenitrile c109740  
992 C5H8 Bicyclo[2.1.0]pentane c185944  
993 C5H8 Spiropentane c157404  
994 C4H9N Cyclobutylamine cbam  
995 C4H9N Pyrrolidine pyrrolidine  
996 C3H10N2 1,2-Diaminopropane diampr12  
997 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
998 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
999 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1000 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1001 NH(C2H5)2 diethylamine dea  
1002 NC4H12+ tetramethyl ammonium cation nc4h12+  
1003 C3O2 Carbon suboxide c3o2  
1004 B2O3 diboron trioxide b2o3  
1005 MgCO3 Magnesium Carbonate mgco3  
1006 BeCO3 Beryllium Carbonate beco3  
1007 CaCO3 Calcium Carbonate caco3  
1008 ONONO Nitrosyl nitrite onono  
1009 PO4--- phosphate po4---  
1010 SO4-- sulfate so4--  
1011 HOONO2 peroxy nitric acid hoono2  
1012 HSO4- bisulfate anion hso4-  
1013 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1014 C3H2O2 Propiolic acid c3h2o2  
1015 CHOCOOH oxo acetic acid oaa  
1016 CHOOCHO diformyl ether choocho  
1017 H2SO4 Sulfuric acid h2so4  
1018 H2SeO4 Selenic acid h2seo4  
1019 C3H3NO Isoxazole isox  
1020 C3H3NO Oxazole oxazole  
1021 C3H3NS Thiazole thiazole  
1022 CH3C(O)OO acetyl peroxy radical ch3coo2  
1023 CH3NO3 Methyl nitrate ch3no3  
1024 H3PO4 Phosphoric Acid h3po4  
1025 C4H4O Furan furan  
1026 C4H4O+ Furan cation furan+  
1027 CH3COCCH 3-butyn-2-one c1423605  
1028 C4H4S Thiophene furans  
1029 C4H4Se selenophene c4h4se  
1030 C3H4O2 β–Propiolactone beta  
1031 C3H4O2 2-Propenoic acid propenoic2  
1032 C3H4O2 Methyl glyoxal megly  
1033 C3H4O2 propanedial propanedial  
1034 C3H4O2 propenalol propenalol  
1035 HOCHCCHOH allenediol aldiol  
1036 C2H4O3 1,2,3-trioxolane c2h4o3  
1037 C2H4O3 trioxolane124 triox  
1038 HOCH2COOH Hydroxyacetic acid hac  
1039 CH2CHCONH2 Acrylamide c79061  
1040 CH3OCH2CN Methoxyacetonitrile c1738369  
1041 CH5N3S Hydrazinecarbothioamide c79196  
1042 H2NCH2COOH Glycine glycine  
1043 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1044 C4H6O cis-2-butenal butenal2c  
1045 C4H6O Cyclobutanone cbutone  
1046 C4H6O Furan, 2,3-dihydro- furan23h  
1047 C4H6O Furan, 2,5-dihydro- furan25h  
1048 CH2CHOCHCH2 Vinyl ether vinylether  
1049 CHOCHCHCH3 2-Butenal butenal2  
1050 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1051 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1052 CH2CHSCHCH2 Divinyl sulfide divis  
1053 C2H6N2O Urea, methyl- c598505  
1054 C3H6O2 1,3-Dioxolane dioxolane  
1055 CH3CH2COOH Propanoic Acid propanoic  
1056 CH3COOCH3 methyl acetate aame  
1057 HCOOC2H5 Ethyl formate faee  
1058 C2H6O2S Dimethyl sulfone c67710  
1059 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1060 C3H7NO dimethylformamide dmf  
1061 C3H7NO Propanamide propanam  
1062 C2H3OC2H5 Ethene, ethoxy- c109922  
1063 C4H8O Cyclobutanol c2919235  
1064 C4H8O Furan, tetrahydro- thf  
1065 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1066 CH3COCH2CH3 2-Butanone buta2one  
1067 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1068 CHOCH2CH2CH3 Butanal butanal  
1069 C4H8S Thiophene, tetrahydro- tht  
1070 C3H8O2 1,3-Propanediol c504632  
1071 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1072 C3H8O2 Methane, dimethoxy- c109875  
1073 C3H8O2 Propylene glycol c57556  
1074 C3H8S2 1,3-Propanedithiol c109808  
1075 C4H10O 1-Butanol butanol1  
1076 C4H10O 1-Propanol, 2-methyl- c78831  
1077 C4H10O 2-Butanol, (.+/-.)- butanol2  
1078 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1079 C4H10O Ethoxy ethane etoet  
1080 C4H10O Methyl propyl ether meopr  
1081 C4H10O Propane, 2-methoxy- c598538  
1082 C4H10O+ 1-Butanol cation butanol1+  
1083 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1084 C2H5SC2H5 Diethyl sulfide etset  
1085 C4H9SH 1-Butanethiol bush  
1086 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1087 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1088 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1089 FNO3 Fluorine nitrate fno3  
1090 ClONO2 Chlorine nitrate clono2  
1091 BrONO2 Bromine nitrate brono2  
1092 TiCl4 Titanium tetrachloride ticl4  
1093 ClO4- perchlorate anion clo4-  
1094 BF4- tetrafluoroboron anion bf4-  
1095 ClFO3 Perchloryl fluoride clfo3  
1096 SO2F2 Sulfuryl fluoride so2f2  
1097 SO2Cl2 Sulfuryl chloride so2cl2  
1098 F3NO Nitrogen trifluoride oxide f3no  
1099 F3PO Phosphoryl fluoride pf3o  
1100 Cl3PO Phosphoryl chloride pcl3o  
1101 CF4 Carbon tetrafluoride cf4  
1102 CF3Cl Methane, chlorotrifluoro- cf3cl  
1103 SiF4 Silicon tetrafluoride sif4  
1104 CF2Cl2 difluorodichloromethane cf2cl2  
1105 TiF4 Titanium tetrafluoride tif4  
1106 CFCl3 Trichloromonofluoromethane cfcl3  
1107 CF3Br Bromotrifluoromethane cf3br  
1108 GeF4 Germanium tetrafluoride gef4  
1109 CCl4 Carbon tetrachloride ccl4  
1110 CCl4+ Carbon tetrachloride cation ccl4+  
1111 SiCl4 Silane, tetrachloro- sicl4  
1112 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1113 CF3I trifluoroiodomethane cf3i  
1114 CBrCl3 Methane, bromotrichloro- cbrcl3  
1115 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1116 GeCl4 Germanium Tetrachloride gecl4  
1117 CBr2ClF dibromochlorofluoromethane cbr2clf  
1118 CBr2Cl2 dibromodichloromethane cbr2cl2  
1119 CCl3I trichloroiodomethane ccl3i  
1120 CFBr3 fluorotribromomethane cfbr3  
1121 CFClBrI fluorochlorobromoiodomethane cfclbri  
1122 CBr3Cl tribromochloromethane cbr3cl  
1123 CF2I2 difluorodiiodomethane cf2i2  
1124 CCl2I2 dichlorodiiodomethane ccl2i2  
1125 SiBr4 Silicon tetrabromide sibr4  
1126 CBr3I tribromoiododmethane cbr3i  
1127 GeBr4 Germanium tetrabromide gebr4  
1128 CI4 tetraiodomethane ci4  
1129 SiI4 silicon tetraiodide sii4  
1130 ClOF3 Chlorine trifluoride oxide clof3  
1131 SF4 Sulfur tetrafluoride sf4  
1132 SeF4 Selenium tetrafluoride sef4  
1133 SCl4 Sulfur tetrachloride scl4  
1134 C2HF3 Trifluoroethylene c2hf3  
1135 CHClCCl2 Trichloroethylene chclccl2  
1136 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1137 HClO4 perchloric acid hclo4  
1138 HSO3F Fluorosulfonic acid hso3f  
1139 CF3OH trifluoromethanol cf3oh  
1140 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1141 CHClCCHCl 1,3-dichloroallene chclcchcl  
1142 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1143 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1144 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1145 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1146 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1147 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1148 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1149 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1150 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1151 NH3BCl3 Amminetrichloroboron nh3bcl3  
1152 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1153 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1154 C3H5ClO Oxirane, (chloromethyl)- c106898  
1155 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1156 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1157 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1158 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1159 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1160 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1161 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1162 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1163 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1164 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1165 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1166 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1167 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1168 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1169 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1170 C4H9F 1-fluorobutane butaf1  
1171 CH3CHFCH2CH3 2-fluorobutane butaf2  
1172 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1173 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1174 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1175 XeF4 Xenon tetrafluoride xef4  
1176 C2H2N2O Furazan furazan  
1177 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1178 NH3BF3 Amminetrifluoroboron nh3bf3  
1179 C6H2 hexatriyne c6h2  
1180 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1181 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1182 C6H4 Benzyne benzyne  
1183 C6H5- phenyl anion phenyl-  
1184 C6H6 Prismane prismane  
1185 C6H6 1,2,4,5-Hexatetraene ht1245  
1186 C6H6 2,4-Hexadiyne hexadiyne  
1187 C6H6 3,4-Dimethylenecyclobutene cb34m  
1188 C6H6 Benzene benzene  
1189 C6H6 Benzvalene bv  
1190 C6H6 Dewar Benzene dewar  
1191 C6H6 Hexa-1,5-diene-3-yne hdy153  
1192 C6H6 Trimethylenecycopropane tmcp  
1193 C6H6+ Benzene cation c6h6+  
1194 C6H7+ benzene, protonated c6h7+  
1195 C6H8 (E)-hexa-1,3,5-triene c821078  
1196 C6H8 (E)-hexa-2,3,4-triene c59660650  
1197 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1198 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1199 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1200 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1201 C6H8 3-Methylenecyclopentene c930267  
1202 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1203 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1204 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1205 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1206 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1207 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1208 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1209 C6H10 1,5-Hexadiene c592427  
1210 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1211 C6H10 1-Hexyne hexyne1  
1212 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1213 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1214 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1215 C6H10 2-Hexyne c764352  
1216 C6H10 3-Hexyne hexyne3  
1217 C6H10 cyclohexene cyclohexene  
1218 C6H10 Cyclopentene, 1-methyl- c693890  
1219 C6H10 Cyclopentene, 3-methyl- c1120623  
1220 C6H10 Cyclopentene, 4-methyl- c1759815  
1221 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1222 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1223 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1224 C6H12 (E)-2-Hexene e2hexene  
1225 C6H12 (E)-3-methylpent-2-ene c616126  
1226 C6H12 (E)-hex-3-ene e3hexene  
1227 C6H12 (Z)-3-methylpent-2-ene c922623  
1228 C6H12 (Z)-hex-2-ene z2hexene  
1229 C6H12 (Z)-hex-3-ene z3hexene  
1230 C6H12 2,3-dimethylbut-1-ene c563780  
1231 C6H12 2,3-dimethyl-but-2-ene tmeet  
1232 C6H12 3-methylenepentane c760214  
1233 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1234 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1235 C6H12 Cyclohexane cyclohexane  
1236 C6H12 Cyclopentane, methyl- c96377  
1237 C6H12 Ethylcyclobutane c4806615  
1238 C6H12 hex-1-ene hexene1  
1239 C6H14 Butane, 2,2-dimethyl- buta22  
1240 C6H14 Butane, 2,3-dimethyl- buta23  
1241 C6H14 Hexane hexane  
1242 C6H14 Pentane, 2-methyl- penta2  
1243 C6H14 Pentane, 3-methyl- penta3  
1244 C4N2 2-Butynedinitrile c4n2  
1245 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1246 C4H2N2 Fumaronitrile c4h2n2  
1247 C2H2N4 sym-tetrazine ttz  
1248 C3H3N3 1,3,5-Triazine triazine135  
1249 CH3N5 5-Aminotetrazole c4418615  
1250 C4H4N2 1,3-Diazine diazine13  
1251 C4H4N2 Pyrazine pyrazine  
1252 C4H4N2 Pyridazine pyridazine  
1253 C4H4N2 Succinonitrile c110612  
1254 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1255 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1256 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1257 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1258 C5H5N E-2,4-pentadienenitrile bdcn  
1259 C5H5N Pyridine pyridine  
1260 B3N3H6 borazine borazine  
1261 C6H6 Fulvene fulvene  
1262 C5H6N+ Pyridinium c5h6n  
1263 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1264 C5H7N (E)-2-Pentenenitrile c26294984  
1265 C5H7N (E)-3-Pentenenitrile c16529661  
1266 C5H7N (Z)-2-Pentenenitrile c25899507  
1267 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1268 C5H7N Cyclobutanecarbonitrile c4426113  
1269 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1270 C5H9N Butanenitrile, 2-methyl- c18936179  
1271 C5H9N Pentanenitrile c110598  
1272 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1273 C6H10 Bicyclo[3.1.0]hexane c285585  
1274 C5H11N Cyclopentanamine cypentam  
1275 C5H11N Piperidine piper  
1276 C4H12N2 1,2-Butanediamine c4426486  
1277 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1278 Li2CO3 Lithium Carbonate li2co3  
1279 Na2CO3 Sodium Carbonate na2co3  
1280 C2O4-- oxalate anion c2o4  
1281 MgSO4 Magnesium Sulfate mgso4  
1282 N2O4 Dinitrogen tetroxide n2o4  
1283 C3H2O3 vinylene carbonate vica  
1284 C2H2O4 Oxalic Acid oxalic  
1285 C2H3NO3 Oxamic acid oxamic  
1286 C4H4O2 2(5H)-Furanone furanone  
1287 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1288 C2H4N2O2 Oxalamide oxalamide  
1289 C2H4N2S2 Ethanedithioamide c79403  
1290 C2H4CO3 Ethylene carbonate etco3  
1291 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1292 C3H4S3 1,3-Dithiolane-2-thione c822388  
1293 C2H4O4 Formic acid dimer fadimer  
1294 C4H5NO 3-Methylisoxazole isox3m  
1295 C4H5NO Isoxazole, 5-methyl- c5765446  
1296 C4H5NS 4-Methylthiazole c693958  
1297 C2H5NO3 Nitric acid, ethyl ester c625581  
1298 C5H6O 2H-Pyran pyran2  
1299 C5H6O 2-methylfuran furan2m  
1300 C5H6O 3-Methylfuran furan3m  
1301 C5H6O Pentadienal pdal  
1302 C5H6S Thiophene, 2-methyl- c554143  
1303 C5H6S Thiophene, 3-methyl- c616444  
1304 C4H6O2 γ–Butyrolactone c96480  
1305 C4H6O2 2,3-Butanedione c431038  
1306 C4H6O2 2-Propenoic acid, methyl ester c96333  
1307 C4H6O2 Crotonic Acid crot  
1308 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1309 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1310 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1311 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1312 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1313 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1314 C4H6OS Vinyl sulfoxide c1115157  
1315 CH6N4S Carbonothioic dihydrazide thiacarb  
1316 C2H6N2O2 (E)-Azodioxymethane c37765154  
1317 C2H6N2O2 Dimethylnitroamine c4164287  
1318 C3H6O3 1,3,5-Trioxane trioxane  
1319 C3H6S3 1,3,5-Trithiane c3h6s3  
1320 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1321 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1322 C4H7NO 2-Pyrrolidinone c616455  
1323 C4H7NO Ethoxyacetonitrile etoaccn  
1324 C4H7NO Methacrylamide c79390  
1325 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1326 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1327 C3H7ONO Propyl nitrite prono  
1328 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1329 CH3CH(NH2)COOH Alanine alanine  
1330 CH3NHCH2COOH Sarcosine sarcosine  
1331 NH2CH2CH2COOH β–alanine betaalanine  
1332 NH2COOC2H5 Urethane urethane  
1333 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1334 C5H8O Cyclopentanone c120923  
1335 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1336 C5H8O Methyl cyclopropyl ketone c765435  
1337 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1338 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1339 NH2CONHC2H5 Urea, ethyl- c625525  
1340 C4H8O2 1,3-Dioxane dioxan13  
1341 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1342 C4H8O2 1,4-Dioxane dioxan14  
1343 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1344 C4H8O2 Ethyl acetate c141786  
1345 C4H8OS s-Ethyl thioacetate c625605  
1346 C3H8O3 1,2,3-Propanetriol glycerin  
1347 C3H8O2S (Methylsulfonyl)ethane c594434  
1348 C4H9NO Butanamide c541355  
1349 C4H9NO Propanamide, 2-methyl- c563837  
1350 C5H10O 2-Butanone, 3-methyl- c563804  
1351 C5H10O 2H-Pyran, tetrahydro- c142687  
1352 C5H10O 2-methylbutyraldehyde 2meba  
1353 C5H10O 2-Pentanone mpk  
1354 C5H10O 3-Pentanone dek  
1355 C5H10O Cyclopentanol c96413  
1356 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1357 C5H10O Pentanal pal  
1358 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1359 C5H10S 3-Ethylthio-1-propene c5296628  
1360 C5H10S Cyclopentanethiol c1679078  
1361 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1362 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1363 C4H10O2 1,1-Dimethoxyethane c534156  
1364 C4H10O2 1,3-Butanediol budiol13  
1365 C4H10O2 1,4-Butanediol budiol14  
1366 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1367 C4H10OS Diethyl sulfoxide c70291  
1368 C4H10S2 1,4-Butanedithiol budisl14  
1369 C4H11NO Diethylhydroxylamine c3710847  
1370 C5H12O 1-Butanol, 2-methyl- c137326  
1371 C5H12O 1-Butanol, 3-methyl- c123513  
1372 C5H12O 1-Pentanol pentanol1  
1373 C5H12O 2-Butanol, 3-methyl- c598754  
1374 C5H12O 2-Pentanol peol2  
1375 C5H12O 3-Pentanol pentan3ol  
1376 C5H12O Butane, 1-methoxy- meobu  
1377 C5H12O Propane, 1-ethoxy- proet  
1378 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1379 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1380 C5H12S 1-Butanethiol, 3-methyl- c541311  
1381 C5H12S 1-Pentanethiol c110667  
1382 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1383 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1384 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1385 C5H12S Butane, 1-(methylthio)- c628295  
1386 C5H12S Ethyl propyl sulfide c4110503  
1387 C5H12S Propane, 2-(ethylthio)- c5145993  
1388 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1389 C4F2 difluorobutadiyne c4f2  
1390 ClCOClCO Oxalyl chloride oxcl  
1391 CF3CN Acetonitrile, trifluoro- cf3cn  
1392 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1393 B2F4 Diboron tetrafluoride b2f4  
1394 B2Cl4 Diboron tetrachloride b2cl4  
1395 C2F4 Tetrafluoroethylene c2f4  
1396 C2F4+ Tetrafluoroethylene cation c2f4+  
1397 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1398 CF2CCl2 difluorodichloroethylene cf2ccl2  
1399 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1400 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1401 C2FCl3 fluorotrichloroethene c2fcl3  
1402 C2Cl4 Tetrachloroethylene c2cl4  
1403 C2Br4 tetrabromoethene c2br4  
1404 CF3OF Trifluoromethylhypofluorite cf3of  
1405 SiF5- silicon pentafluoride anion sif5-  
1406 SOF4 Sulfur tetrafluoride oxide sof4  
1407 PF5 Phosphorus pentafluoride pf5  
1408 AsF5 Arsenic pentafluoride asf5  
1409 PCl5 Phosphorus pentachloride pcl5  
1410 SF5+ pentafluoro sulfur cation sf5+  
1411 SbCl5 Antimony pentachloride sbcl5  
1412 BrF5 bromine pentafluoride brf5  
1413 ClF5 chlorinepentafluoride clf5  
1414 IF5 pentafluoroiodine if5  
1415 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1416 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1417 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1418 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1419 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1420 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1421 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1422 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1423 CF3COOH trifluoroacetic acid cf3cooh  
1424 C4H3ClO Furan, 2-chloro fur2cl  
1425 C4H3ClO Furan,3-chloro fur3cl  
1426 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1427 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1428 C4H8Cl2 1,4-Dichlorobutane c110565  
1429 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1430 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1431 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1432 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1433 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1434 C5H11Cl Pentane, 1-chloro- pencl1  
1435 C4H8O2 Butanoic acid bua  
1436 C7H7+ cycloheptatrienyl cation c7h7+  
1437 C6H5CH3 toluene toluene  
1438 C7H8 cycloheptatriene cht  
1439 C7H8 Norbornadiene norbor  
1440 C7H8 Quadricyclane qucy  
1441 C7H12 Norbornane nor  
1442 C7H14 cycloheptane c7h14  
1443 C7H16 2-methylhexane 2mhex  
1444 C7H16 3-methylhexane hex3m  
1445 C7H16 heptane heptane  
1446 CH(CN)3 tricyanomethane mecn3  
1447 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1448 C6H7N 2-Methylpyridine mp  
1449 C6H5NH2 aniline aniline  
1450 C6H13N 2-Methylpiperidine pip2m  
1451 C6H15N triethylamine tea  
1452 N2O5 Dinitrogen pentoxide n2o5  
1453 C4H2O3 Maleic Anhydride malan  
1454 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1455 C5H4O2 furfural furfural  
1456 C5H5NO 2(1H)-Pyridinone c72762006  
1457 C5H5NO 2(3H)-Pyridinone c9000048  
1458 C5H5NO 2(5H)-Pyridinone c9000037  
1459 C5H5NO 2-Pyridinol c109104  
1460 C5H5NO 3(2H)-Pyridinone c9000004  
1461 C5H5NO 3(4H)-Pyridinone c9000026  
1462 C5H5NO 3(6H)-Pyridinone c9000015  
1463 C5H5NO 3-Pyridinol c109002  
1464 C5H5NO 4(1H)-Pryidinone c9000060  
1465 C5H5NO 4(3H)-Pryidinone c9000059  
1466 C5H5NO 4-Pyridinol c626642  
1467 C6H5OH phenol phenol  
1468 C6H6O 2,4-Cyclohexadienone c24599573  
1469 C6H6O 2,5-Cyclohexadienone c5664335  
1470 C6H5SH Benzenethiol phsh  
1471 HO2CCHNH2CH2OH Serine serine  
1472 C5H8O2 Acetylacetone acac  
1473 C4H8O2S Sulfolane sulfolane  
1474 C7H10 Norbornene norbornene  
1475 CH(C2H3)3 trivinyl methane tvm  
1476 C6H10O cyclohexanone chexo  
1477 C6H12O hexanal c6h12o  
1478 C6H12O Oxepane oxepane  
1479 C3H7OC3H7 di-n-propyl ether propr  
1480 F2CCCF2 tetrafluoroallene pfa  
1481 CF3COO- trifluoro acetate anion cf3coo-  
1482 CF3COF trifluoroacetyl fluoride cf3cof  
1483 CF3COCl trifluoroacetyl chloride cf3cocl  
1484 PF6- Hexafluorophosphate ion pf6-  
1485 SF6 Sulfur Hexafluoride sf6  
1486 SeF6 Selenium hexafluoride sef6  
1487 SF5Cl sulfur chloropentafluoride sf5cl  
1488 CF3CHF2 pentafluoroethane cf3chf2  
1489 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1490 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1491 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1492 CCl3CHCl2 pentachloroethane ccl3chcl2  
1493 C6H5F Fluorobenzene bzf  
1494 C6H5Cl chlorobenzene bzcl  
1495 C6H5Br bromobenzene bzbr  
1496 C8H6 Calicene calicene  
1497 C6H5CCH phenylacetylene phac  
1498 C8H6 benzocyclobutadiene bcbd  
1499 C8H6 Pentalene pentalene  
1500 C6H5CHCH2 Styrene styrene  
1501 C8H8 cubane cubane  
1502 C8H8 cyclooctatetraene cot  
1503 C6H5CH2CH3 Ethylbenzene etbz  
1504 CH3C6H4CH3 meta-xylene mxylene  
1505 CH3C6H4CH3 paraxylene pxylene  
1506 C8H14 Bicyclo[2.2.2]octane bico222  
1507 C8H16 cyclooctane cyclooct  
1508 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1509 C8H18 Octane c8h18  
1510 C6H5CN phenyl cyanide phcn  
1511 C6H12N2 Triethylenediamine ted  
1512 C4O4-- squarate dianion c4o4--  
1513 S4N4 Tetrasulfur tetranitride s4n4  
1514 S8 Octasulfur s8  
1515 C6H4O2 parabenzoquinone pbq  
1516 C4H4N2O2 Uracil uracil  
1517 C6H5CHO benzaldehyde benzal  
1518 C6H5OCH3 Anisole anisole  
1519 C5H9NO2 Proline proline  
1520 C4F4 tetrafluorcyclobutadiene c4f4  
1521 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1522 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1523 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1524 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1525 C2F6 hexafluoroethane c2f6  
1526 C2Cl6 hexachloroethane c2cl6  
1527 IF7 Iodine heptafluoride if7  
1528 C6H4F2 metadifluorobenzene mdfb  
1529 C6H4F2 orthodifluorobenzene odfb  
1530 C6H4F2 1,4-difluorobenzene pdfb  
1531 C6H4Cl2 1,2-dichlorobenzene dcb12  
1532 C6H4Cl2 1,3-dichlorobenzene dcb13  
1533 C6H4Cl2 1,4-dichlorobenzene dcb14  
1534 C6H5NO nitrosobenzene bzno  
1535 C9H8 Indene indene  
1536 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1537 C9H12 n-propyl benzene prbz  
1538 C9H20 Nonane nonane  
1539 C(CN)4 tetracyanomethane c5n4  
1540 C5H4N4 purine purine  
1541 C8H7N Indole indole  
1542 C3H3N3O3 cyanuric acid cyanuric  
1543 C6H5NO2 Nitrobenzene c6h5no2  
1544 C6H5COOH benzoic acid benzo  
1545 CH3COC6H5 acetophenone acph  
1546 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1547 C3F6 hexafluoropropene c3f6  
1548 C6H3F3 Benzene trifluoride 123 bzf3a  
1549 C8H18O 1-Octanol octanol  
1550 C10H8 Azulene azu  
1551 C10H8 naphthalene naph  
1552 C10H10 bullvalene bullv  
1553 C10H16 adamantane adamantane  
1554 C6N4 Tetracyanoethylene tcne  
1555 C10H22 Decane decane  
1556 C4F6 perfluorobutadiene c4f6  
1557 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1558 C3F8 perfluoropropane c3f8  
1559 Fe(CO)5 Iron pentacarbonyl ipc  
1560 Fe(C5H5)2 ferrocene fecp2  
1561 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1562 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1563 C12H8 Acenaphthylene acenaph  
1564 C12H8 biphenylene biph  
1565 C12H10 biphenyl biphenyl  
1566 C12H10 Heptalene heptalene  
1567 C6H12O6 Inositol inositol  
1568 C6F6 hexafluorobenzene c6f6  
1569 S2F10 disulphur decafluoride s2f10  
1570 C13H10 Fluorene fluorene  
1571 C14H10 Anthracene anth  
1572 C14H10 Phenanthrene phenanthrene  
1573 C14H14 Bibenzyl bibenzyl  
1574 C12H10N2 azobenzene azobenzene  
1575 C6H5COC6H5 benzophenone benzophenone  
1576 C16H10 Pyrene pyrene  
1577 C18H12 Tetracene tetracene  
1578 C19H16 Triphenylmethane tpm  
1579 C24H12 Coronene coronene  
1580 C60 Buckminsterfullerene c60