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 /3-21G*

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

Species NOT done yet
count Species Name file name problem
1 D Deuterium atom d  
2 D- Deuterium atom anion d-  
3 D+ Deuterium atom cation d+  
4 D2 Deuterium diatomic d2  
5 H2 Hydrogen diatomic h2  
6 HD Deuterium hydride hd  
7 H3+ hydrogen trimer cation h3+  
8 He Helium atom he  
9 HeH Helium hydride heh  
10 Li- Lithium atom anion li-  
11 Na+ Sodium atom cation na+  
12 LiH Lithium Hydride lih  
13 LiH- lithium hydride anion lih-  
14 NaH sodium hydride nah  
15 NaH- sodium hydride anion nah-  
16 Be Beryllium atom be  
17 Be- Beryllium atom anion be-  
18 Mg Magnesium atom mg  
19 Ca Calcium atom ca  
20 Zn Zinc atom zn  
21 Zn- Zinc atom anion zn-  
22 Zn+ Zinc atom cation zn+  
23 BeH- berylium monohydride anion beh-  
24 BeH+ beryllium monohydride cation beh+  
25 MgH- magnesium monohydride anion mgh-  
26 MgH+ magnesium monohydride cation mgh+  
27 CaH+ Calcium monohydride cation cah+  
28 ZnH+ Zinc, protonated znh+  
29 BeH2 beryllium dihydride beh2  
30 MgH2 magnesium dihydride mgh2  
31 CaH2 Calcium Hydride cah2  
32 ZnH2 Zinc hydride znh2  
33 B- Boron atom anion b-  
34 BH Boron monohydride bh  
35 BH- boron monohydride anion bh-  
36 BH+ boron monohydride cation bh+  
37 AlH aluminum monohydride alh  
38 AlH- aluminum monohydride anion alh-  
39 AlH+ aluminum monohydride cation alh+  
40 ScH Scandium monohydride sch  
41 GaH Gallium monohydride gah  
42 BH2+ Boron dihydride cation bh2+  
43 BH3 boron trihydride bh3  
44 BH3- boron trihydride anion bh3-  
45 AlH3 aluminum trihydride alh3  
46 ScH3 Scandium trihydride sch3  
47 GaH3 Gallium trihydride gah3  
48 AlH4- Aluminum tetrahydride anion alh4-  
49 C- Carbon atom anion c-  
50 Ti Titanium atom ti  
51 Ti- Titanium atom anion ti-  
52 Ti+ Titanium atom cation ti+  
53 CH- methylidyne anion ch-  
54 CH+ Methylidyne cation ch+  
55 SiH+ silicon monohydride cation sih+  
56 GeH+ Germaniun monohyrdide cation geh+  
57 CD4 methane-d4 cd4  
58 CH2D2 methane-d2 ch2d2  
59 CH3D methane-d ch3d  
60 CH4 Methane ch4  
61 CH4- Methane anion ch4-  
62 CH4+ Methane cation ch4+  
63 CHD3 methane-d3 chd3  
64 SiH2D2 silane-d2 sih2d2  
65 SiH4 Silane sih4  
66 GeH4 Germane geh4  
67 SnH4 Stannane snh4  
68 SiH5+ Silane, protonated sih5+  
69 NH- Imidogen anion nh-  
70 NH+ imidogen cation nh+  
71 PH- phosphorus monohydride anion ph-  
72 PH+ phosphorus monohydride cation ph+  
73 NH2- amino anion nh2-  
74 AsH2+ Arsenic dihydride cation ash2+  
75 ND3 Ammonia-d3 nd3  
76 NH3 Ammonia nh3  
77 PH3 Phosphine ph3  
78 AsH3 Arsine ash3  
79 SbH3 Stibine sbh3  
80 AsH4+ Arsonium ash4+  
81 NH4+ ammonium cation nh4+  
82 PH4+ phosphonium cation ph4+  
83 Cr Chromium atom cr  
84 OH- hydroxide anion oh-  
85 HSe- selenium monohydride anion hse-  
86 D2O Deuterium oxide d2o  
87 H2O Water h2o  
88 HDO Water-d1 hdo  
89 D2S Hydrogen sulfide-d2 d2s  
90 H2S Hydrogen sulfide h2s  
91 H2Te Hydrogen Telluride h2te  
92 H3O+ hydronium cation h3o+  
93 H3Se+ Hydrogen Selenide, protonated h3se+  
94 Mn Manganese atom mn  
95 I- Iodine atom anion iodine-  
96 I+ Iodine atom cation iodine+  
97 DF Hydrofluoric acid-d df  
98 HF Hydrogen fluoride hf  
99 DCl Hydrochloric acid-d dcl  
100 HCl Hydrogen chloride hcl  
101 HI Hydrogen iodide hi  
102 HI+ Hydrogen iodide cation hi+  
103 H2F+ dihydrogen fluoride cation h2f+  
104 H2Br+ protonated hydrogen bromide h2br+  
105 H2I+ Iodonium h2i+  
106 Ne Neon atom ne  
107 Ar Argon atom ar  
108 Fe Iron atom fe  
109 Kr Krypton atom kr  
110 Xe Xenon atom xe  
111 HeLi+ Helium Lithium cation heli+  
112 NeH+ neon hydrogen cation neh+  
113 KrH+ Protonated Krypton krh+  
114 XeH+ Xenon, protonated xeh+  
115 H2Ar H2 Ar dimer h2ar  
116 Co Cobalt atom cobalt  
117 Ni Nickel atom ni  
118 Li2 Lithium diatomic li2  
119 Li2- lithium diatomic anion li2-  
120 NaLi lithium sodium lina  
121 NaLi- lithium sodium anion lina-  
122 NaLi+ lithium sodium cation lina+  
123 LiK Lithium Potassium lik  
124 Na2 Sodium diatomic na2  
125 NaK Sodium Potassium nak  
126 K2 Potassium diatomic k2  
127 Cu2 Copper diatomic cu2  
128 Be2 Beryllium diatomic be2  
129 Be2+ Beryllium diatomic cation be2+  
130 BeMg Beryllium Magnesium bemg  
131 Mg2 Magnesium diatomic mg2  
132 Mg2- magnesium diatomic anion mg2-  
133 Mg2+ magnesium diatomic cation mg2+  
134 Ca2 Calcium diatomic ca2  
135 LiAl Lithium Aluminum lial  
136 NaAl Sodium aluminum naal  
137 B2- Boron diatomic anion b2-  
138 Al2 Aluminum diatomic al2  
139 Al2- aluminum diatomic anion al2-  
140 Al2+ aluminum diatomic cation al2+  
141 LiBH4 Lithium borohydride libh4  
142 B2H4 Diborane(4) D2d b2h4  
143 HBHHBH Diborane(4) C2V hbhhbh  
144 B2H6 Diborane b2h6  
145 Al2H6 dialane al2h6  
146 Ga2H6 digallane ga2h6  
147 BC+ boron monocarbide cation bc+  
148 C2 Carbon diatomic c2  
149 C2- carbon diatomic anion c2-  
150 Si2- silcon diatomic anion si2-  
151 Si2+ silcon diatomic cation si2+  
152 C2H- Ethynyl anion c2h-  
153 C2H+ Ethynyl cation c2h+  
154 C2H2 Acetylene c2h2  
155 Si2H2 disilyne si2h2  
156 CuCH3 monomethyl copper cuch3  
157 CH2BH methyleneborane ch2bh  
158 C2H3- vinyl anion c2h3-  
159 C2H4 Ethylene c2h4  
160 CH2SiH2 silaethylene ch2sih2  
161 Si2H4 Disilene si2h4  
162 CH3BH2 methylborane ch3bh2  
163 C2H5- Ethyl anion c2h5-  
164 C2H5+ Ethyl cation c2h5+  
165 C2H6 Ethane c2h6  
166 CH3SiH3 methyl silane ch3sih3  
167 Si2H6 disilane si2h6  
168 GeH3CH3 methyl germane geh3ch3  
169 C2H7+ Ethane, protonated c2h7+  
170 BeN+ Beryllium mononitride cation ben+  
171 BN- boron nitride anion bn-  
172 AlN- aluminum mononitride anion aln-  
173 AlN+ aluminum mononitride cation aln+  
174 BN+ boron nitride cation bn+  
175 AlN Aluminum nitride aln  
176 CN- cyanide anion cn-  
177 CN+ Cyano cation cn+  
178 CP- carbon monophosphide anion cp-  
179 CP+ carbon monophosphide cation cp+  
180 SiN- silicon mononitride anion sin-  
181 SiN+ silicon mononitride cation sin+  
182 TiN Titanium mononitride tin  
183 N2 Nitrogen diatomic n2  
184 PN Phosphorus mononitride pn  
185 PN- phosphorus nitride anion pn-  
186 PN+ phosphorus nitride cation pn+  
187 P2 Phosphorus diatomic p2  
188 P2- phosphorus diatomic anion p2-  
189 P2+ phosphorus diatomic cation p2+  
190 AsN Arsenic mononitride asn  
191 AsP Arsenic monophosphide asp  
192 SbN Antimony nitride sbn  
193 As2 Arsenic diatomic as2  
194 HNC hydrogen isocyanide hnc  
195 HCN Hydrogen cyanide hcn  
196 HCN- Hydrogen cyanide anion hcn-  
197 HCP Phosphaethyne hcp  
198 NNH+ Dinitrogen monohydride cation nnh+  
199 HPO Hydrogen phosphorus oxide hpo  
200 LiNH2 lithium amide linh2  
201 HBNH Boranimine hbnh  
202 CNH2+ N-protonated hydrogen isocyanide cnh2+  
203 HCNH+ N-protonated HCN hcnh+  
204 H2NN Isodiazene h2nn  
205 N2H2 (E)-diazene n2h2  
206 N2H2 (Z)-Diazene n2h2z  
207 CH2NH Methanimine ch3n  
208 CHNH2 aminomethylene chnh2  
209 CH2PH Phosphaethene ch3p  
210 BH2NH2 Boranamine bh2nh2  
211 CH2NH2+ methyleneamine cation ch2nh2+  
212 N2H4 Hydrazine n2h4  
213 P2H4 Diphosphine p2h4  
214 CH3NH2 methyl amine ch3nh2  
215 CH3PH2 Methyl phosphine ch3ph2  
216 SiH3NH2 Silane, amino sih3nh2  
217 N2H5+ protonated hydrazine n2h5+  
218 BH3PH3 borane phosphine bh3ph3  
219 BH3NH3 borane ammonia bh3nh3  
220 CH3NH3+ protonated methylamine ch3nh3+  
221 CH3PH3+ methyl phosphine, protonated ch3ph3+  
222 NH3NH3 Ammonia Dimer nh3nh3  
223 N2H7+ ammonia ammonium dimer n2h7+  
224 NaO- sodium oxide anion nao-  
225 NaO+ sodium oxide cation nao+  
226 BeO beryllium oxide beo  
227 BeS beryllium sulfide bes  
228 MgO magnesium oxide mgo  
229 MgO- magnesium oxide anion mgo-  
230 MgO+ magnesium oxide cation mgo+  
231 CaO Calcium monoxide cao  
232 MgS magnesium sulfide mgs  
233 MgS- magnesium sulfide anion mgs-  
234 MgS+ magnesium sulfide cation mgs+  
235 CaS Calcium sulfide cas  
236 ZnO zinc monoxide zno  
237 ZnS Zinc sulfide zns  
238 BeS- Beryllium monosulfide anion bes-  
239 BeS+ Beryllium monosulfide cation bes+  
240 AlO- Aluminum monoxide anion alo-  
241 AlO+ aluminum monoxide cation alo+  
242 BS- boron monosulfide anion bs-  
243 BS+ boron monosulfide cation bs+  
244 AlS- aluminum monosulfide anion als-  
245 AlS+ aluminum monosulfide cation als+  
246 BO+ boron monoxide cation bo+  
247 CO Carbon monoxide co  
248 CS carbon monosulfide cs  
249 CS- carbon monosulfide anion cs-  
250 CS+ carbon monosulfide cation cs+  
251 SiO Silicon monoxide sio  
252 SiO- silicon monoxide anion sio-  
253 SiO+ silicon monoxide cation sio+  
254 SiS silicon monosulfide sis  
255 SiS- silicon monosulfide anion sis-  
256 SiS+ silicon monosulfide cation sis+  
257 CSe Carbon monoselenide cse  
258 CSe- Carbon monoselenide anion cse-  
259 CSe+ Carbon monoselenide cation cse+  
260 GeO Germanium monoxide geo  
261 GeS Germanium monosulfide ges  
262 SiSe Silicon Monoselenide sise  
263 GeSe Germanium monoselenide gese  
264 NO+ nitric oxide cation no+  
265 NS+ nitrogen sulfide cation ns+  
266 PO- phosphorus monoxide anion po-  
267 PO+ phosphorus monoxide cation po+  
268 PS- phosphorus monosulfide anion ps-  
269 PS+ phosphorus monosulfide cation ps+  
270 O2-- dioxygen dianion o2--  
271 SO- sulfur monoxide anion so-  
272 S2- sulfur diatomic anion s2-  
273 S2+ sulfur diatomic cation s2+  
274 SeO- selenium monoxide anion seo-  
275 SeO+ selenium monoxide cation seo+  
276 SeS Selenium monosulfide ses  
277 SeS- selenium monosulfide anion ses-  
278 SeS+ selenium monosulfide cation ses+  
279 Se2- selenium diatomic anion se2-  
280 Se2+ selenium diatomic cation se2+  
281 LiOH lithium hydroxide lioh  
282 NaOH sodium hydroxide naoh  
283 KOH Potassium hydroxide koh  
284 CaOH Calcium monohydroxide caoh  
285 HBO Boron hydride oxide hbo  
286 HBS hydrogen boron sulfide hbs  
287 COH+ Carbon Monoxide, protonated coh+  
288 HCS- Thioformyl anion hcs-  
289 HNS Sulfur imide hns  
290 HSO+ Sulfur Monoxide, S-protonated HSO+  
291 H2CO Formaldehyde h2co  
292 HOCH hydroxycarbene hoch  
293 H2CS Thioformaldehyde h2cs  
294 H2CSe Selenoformaldehyde h2cse  
295 H2O2 Hydrogen peroxide h2o2  
296 H2OO water oxide h2oo  
297 HOSH hydrogen thioperoxide hosh  
298 H2S2 Disulfane h2s2  
299 H2Se2 hydrogen diselenide h2se2  
300 CH2OH+ hydroxymethyl cation ch2oh+  
301 CH3O- methoxy anion ch3o-  
302 H2CSH+ Thioformaldehyde, protonated h2csh+  
303 NH2OH hydroxylamine nh2oh  
304 NH3O Ammonia Oxide nh3o  
305 H2POH Phosphinous acid h2poh  
306 H3PO Phosphine oxide h3po  
307 NH2SH Thiohydroxylamine nh2sh  
308 NH3S sulfidoazane nh3s  
309 H3O2+ hydrogen peroxide, protonated h3o2+  
310 CH3OH Methyl alcohol ch3oh  
311 CH3SH Methanethiol ch3sh  
312 SiH3OH silanol sih3oh  
313 CH3SeH Methane selenol ch3seh  
314 H2OH2O water dimer h2oh2o  
315 CH3OH2+ Methanol, protonated ch3oh2+  
316 CH3SH2+ protonated methylsulfide ch3sh2+  
317 H2ONH3 Water Ammonia Dimer h2onh3  
318 H5O2+ Dihydroxonium ion h5o2+  
319 LiF lithium fluoride lif  
320 LiCl lithium chloride licl  
321 LiCl- lithium chloride anion licl-  
322 LiCl+ lithium chloride cation licl+  
323 NaF sodium fluoride naf  
324 NaF- sodium fluoride anion naf-  
325 KF Potassium Fluoride kf  
326 NaCl Sodium Chloride nacl  
327 NaCl- sodium chloride anion nacl-  
328 NaCl+ sodium chloride cation nacl+  
329 KCl Potassium Chloride kcl  
330 CuF Copper monofluoride cuf  
331 LiBr Lithium Bromide libr  
332 LiBr- lithium bromide anion libr-  
333 LiBr+ lithium bromide cation libr+  
334 CuCl Copper monochloride cucl  
335 NaBr Sodium Bromide nabr  
336 NaBr- sodium bromide anion nabr-  
337 NaBr+ sodium bromide cation nabr+  
338 KBr Potassium Bromide kbr  
339 LiI Lithium Iodide lii  
340 NaI Sodium Iodide nai  
341 KI Potassium Iodide ki  
342 MgF- magnesium fluoride anion mgf-  
343 MgF+ magnesium fluoride cation mgf+  
344 CaF Calcium monofluoride caf  
345 MgCl- magnesium monochloride anion mgcl-  
346 MgCl+ magnesium monochloride cation mgcl+  
347 ZnF- Zinc monofluoride anion znf-  
348 ZnF+ Zinc monofluoride cation znf+  
349 BeCl- beryllium monochloride anion becl-  
350 BeCl+ beryllium monochloride cation becl+  
351 BF Boron monofluoride bf  
352 BF- Boron monofluoride anion bf-  
353 BF+ Boron monofluoride cation bf+  
354 AlF Aluminum monofluoride alf  
355 AlF- Aluminum monofluoride anion alf-  
356 AlF+ Aluminum monofluoride cation alf+  
357 BCl boron monochloride bcl  
358 BCl- boron monochloride anion bcl-  
359 BCl+ boron monochloride cation bcl+  
360 AlCl Aluminum monochloride alcl  
361 AlCl- aluminum monochloride anion alcl-  
362 AlCl+ aluminum monochloride cation alcl+  
363 ScF Scandium monofluoride scf  
364 BBr Boron monobromide bbr  
365 AlBr Aluminum monobromide albr  
366 AlI Aluminum monoiodide ali  
367 GaBr Gallium monobromide gabr  
368 CF- carbon monofluoride anion cf-  
369 CF+ carbon monofluoride cation cf+  
370 CCl- carbon monochloride anion ccl-  
371 CCl+ carbon monochloride cation ccl+  
372 SiF+ silicon monofluoride cation sif+  
373 SiCl- silicon monochloride anion sicl-  
374 SiCl+ silicon monochloride cation sicl+  
375 GeF+ Germanium monofluoride cation gef+  
376 GeCl+ Germanium monochloride cation gecl+  
377 NF- nitrogen monofluorine anion nf-  
378 NF+ nitrogen monofluoirde cation nf+  
379 PF phosphorus monofluoride pf  
380 PF- phosphorus monofluoride anion pf-  
381 PF+ phosphorus monofluoride cation pf+  
382 PCl phosphorus chloride pcl  
383 PCl- phosphorus monochloride anion pcl-  
384 PCl+ phosphorus monochloride cation pcl+  
385 SbF Antimony monofluoride sbf  
386 SbCl Antimony monochloride sbcl  
387 FO- flourine oxide anion fo-  
388 FO+ fluorine monoxide cation fo+  
389 ClO- chlorine monoxide anion clo-  
390 SF- sulfur monofluoride anion sf-  
391 SCl- sulfur monochloride anion scl-  
392 BrO- Bromine monoxide anion bro-  
393 IO Iodine monoxide io  
394 BrCl Bromine monochloride brcl  
395 F2 Fluorine diatomic f2  
396 ClF- clorine monofluoride anion clf-  
397 Cl2 Chlorine diatomic cl2  
398 BrF Bromine monofluoride brf  
399 BrF- bromine fluoride anion brf-  
400 BrF+ bromine fluoride cation brf+  
401 BrCl- bromine chloride anion brcl-  
402 BrCl+ bromine chloride cation brcl+  
403 IF Iodine monofluoride if  
404 Br2 Bromine diatomic br2  
405 ICl Iodine monochloride icl  
406 IBr Iodine monobromide ibr  
407 I2 Iodine diatomic i2  
408 HCF Fluoromethylene hcf  
409 HCCl Chloromethylene hccl  
410 HSiF fluorosilylene hsif  
411 HSiCl Chlorosilylene hsicl  
412 HSiBr monobromosilylene hsibr  
413 CHBr bromomethylene chbr  
414 HOF Hypofluorous acid hfo  
415 DOCl Hypochlorous acid-d docl  
416 HOCl hypochlorous acid hocl  
417 HOBr Hypobromous acid hobr  
418 HOI Hypoiodous acid hoi  
419 F2H+ Fluorine, protonated f2h+  
420 FHF Hydrogen difluoride fhf  
421 ClFH+ Chlorine fluoride, F-protonated clfh+  
422 FClH+ Chlorine fluoride, Cl-protonated fclh+  
423 Cl2H+ Chlorine, protonated cl2h+  
424 CH2F+ fluoromethyl cation ch2f+  
425 CH2Cl+ chloromethyl cation ch2cl+  
426 NH2F monofluoroamine nh2f  
427 NH2Cl chloramine nh2cl  
428 H2F2 Hydrogen fluoride dimer h2f2  
429 CD3F methylfluoride-d3 cd3f  
430 CH3F Methyl fluoride ch3f  
431 CD3Cl methyl chloride d3 cd3cl  
432 CH3Cl Methyl chloride ch3cl  
433 SiH3F monofluorosilane sih3f  
434 SiH3Cl chlorosilane sih3cl  
435 GeH3F monofluorogermane geh3f  
436 GeH3Cl monochlorogermane geh3cl  
437 SiH3Br bromosilane sih3br  
438 CH3I methyl iodide ch3i  
439 SiH3I Silyl Iodide sih3i  
440 NH3Cl+ protonated monochloroammonia nh3cl+  
441 CH3ClH+ methyl chloride, protonated ch3clh+  
442 NH4Cl Ammonium chloride nh4cl  
443 LiNe+ Lithium Neon cation line+  
444 Ne2 Neon diatomic ne2  
445 Ar2 Argon diatomic ar2  
446 Li3+ Lithium trimer cation li3+  
447 SiC2 Silicon dicarbide sic2  
448 C3H3 Propargyl radical propargyl  
449 C3H3+ cyclopropenyl cation cpr+  
450 C3H4 cyclopropene cprop  
451 CH2CCH2 allene allene  
452 CH3CCH propyne propyne  
453 C3H5+ Allyl cation allyl+  
454 Zn(CH3)2 dimethyl zinc dmz  
455 C3H6 Cyclopropane c3h6  
456 CH2CHCH3 Propene propene  
457 C3H7+ cyclopropane, protonated c3h7+  
458 CH3CHCH3+ Isopropyl cation prop2yl+  
459 C3H8 Propane propane  
460 SiH2(CH3)2 dimethylsilane dms  
461 Si3H8 trisilane si3h8  
462 NaCN Sodium Cyanide nacn  
463 KCN Potassium cyanide kcn  
464 CuCN Copper cyanide cucn  
465 AlCN Aluminum monocyanide alcn  
466 AlNC Aluminum isocyanide alnc  
467 CN2 3H-Diazirin-3-ylidene cn2  
468 N3- azide anion n3-  
469 HCNN diazomethyl radical hcnn  
470 HNCNH diiminomethane hncnh  
471 CH2N2 diazirine ch2n2  
472 CH2NN diazomethane ch2nn  
473 NH2CN cyanamide cyanamide  
474 HNNNH+ 1,2-Triazadienium n2h3+  
475 NH2NN+ hydrazoic acid, protonated nh2nn+  
476 CH3CN Acetonitrile ch3cn  
477 CH3NC methyl isocyanide ch3nc  
478 CHNCH2 2H-Azirine c157164  
479 CHNHCH 1H-Azirine chnhch  
480 H2CCNH Ethenimine ch2cnh  
481 H2CNCH methyleneaminomethylene ch2nch  
482 HCCNH2 Ethynamine hccnh2  
483 HNCNH2+ diiminomethane, protonated hncnh2+  
484 NCNH3+ Cyanamide, protonated ncnh3+  
485 NH2CNH+ cyanamide, cn protonated nh2cnh+  
486 NH3CN+ cyanamide, amine protonated nh3cn+  
487 NHCHNH2 aminomethanimine cn2h4  
488 C2H5N Aziridine c2h5n  
489 CH2CHNH2 aminoethene aminoethene  
490 CH2NCH3 N-methylmethanimine nmm  
491 CH3CHNH ethanimine ethanimine  
492 NH2BHNH2 diaminoborane nh2bhnh2  
493 C2H5NH+ Protonated Aziridine c2h5nh+  
494 C2H6N+ aziridine, protonated c2h6n+  
495 NH2CH2NH2 diaminomethane nh2ch2nh2  
496 CH3CH2NH2 Ethylamine etam  
497 CH3NHCH3 Dimethylamine ch3nhch3  
498 CH3PHCH3 dimethylphosphine ch3phch3  
499 NH2CH2NH3+ diaminoethane, protonated pdam  
500 (CH3)2NH2+ dimethylammonium cation dmam  
501 CH3CH2NH3+ ethylamine, protonated pea  
502 Li2O dilithium oxide li2o  
503 Li2S dilithium sulfide li2s  
504 Na2O disodium monoxide na2o  
505 Na2S Sodium sulfide na2s  
506 CNO- fulminate cno-  
507 NCO- cyanate nco-  
508 SCN- thiocyanide anion scn-  
509 BO2- Boron dioxide anion bo2-  
510 NNS Nitrogen sulfide nns  
511 PPO Phosphorus oxide phosphide ppo  
512 CO2 Carbon dioxide co2  
513 OCS Carbonyl sulfide cos  
514 SiO2 silicon dioxide sio2  
515 CS2 Carbon disulfide cs2  
516 TiO2 Titanium dioxide tio2  
517 SiS2 Silicon disulfide sis2  
518 GeO2 Germanium dioxide geo2  
519 OCSe Carbonyl selenide ocse  
520 SCSe Carbon sulfide selenide scse  
521 GeS2 Germanium disulfide ges2  
522 CSe2 Carbon diselenide cse2  
523 SCTe Carbon sulfide Telluride scte  
524 PO2- Phosphorus dioxide anion po2-  
525 O3 Ozone o3  
526 SSO Disulfur monoxide sso  
527 S3 Sulfur trimer s3  
528 SeO2 Selenium dioxide seo2  
529 TeO2 Tellurium Dioxide teo2  
530 CS2H+ Carbon disulfide, protonated cs2h+  
531 HCNO fulminic acid hcno  
532 HNCO Isocyanic acid hnco  
533 HOCN cyanic acid hocn  
534 HNCS Isothiocyanic acid hncs  
535 HSCN thiocyanic acid hscn  
536 HCO2- formate anion hco2-  
537 HNNO nitrosoazane hnno  
538 HNNO+ Nitrous oxide, N-protonated hnno+  
539 NNOH+ Nitrous Oxide, O-protonated nnoh+  
540 HNO2 Nitrous acid hno2  
541 O3H+ protonated ozone o3h+  
542 SO2H+ protonated sulfur dioxide so2h+  
543 C2H2O Oxirene oxirene  
544 CH2CO Ketene ch2co  
545 HCCOH ethynol hccoh  
546 CH2CS Thioketene ch2cs  
547 Be(OH)2 Beryllium hydroxide beo2h2  
548 Mg(OH)2 Magnesium dihydroxide h2mgo2  
549 NH2NO Nitrosamide nh2no  
550 CH2O2 Dioxirane diox  
551 H2COO Dioxymethyl radical h2coo  
552 H2COO+ dioxymethyl cation h2coo+  
553 HCOOH Formic acid ch2o2  
554 H2O3 Hydrogen trioxide h2o3  
555 HSSSH trisulfane hsssh  
556 NaOCH3 Sodium methoxide naoch3  
557 CH2BOH hydroxy(methylene)borane ch2boh  
558 BH3CO Borane carbonyl bh3co  
559 CH3BO Borane, methyloxo- ch3bo  
560 CH2COH+ ketene, protonated ch2coh+  
561 CH3CO- Acetyl anion ch3co-  
562 CH3CO+ acetyl cation ch3co+  
563 CH2NOH formaldoxime ch2noh  
564 CH3NO nitrosomethane ch3no  
565 CHONH2 formamide formamide  
566 CNOH3 1,2-oxaziridine cnoh3  
567 HOCHNH hydroxymethylimine hochnh  
568 CHSNH2 thioformamide chsnh2  
569 NHCHSH Methanimidothioic acid nhchsh  
570 CH3OO- methylperoxy anion ch3oo-  
571 C2H4O Ethylene oxide c2h4o  
572 CH2CHOH ethenol ch2choh  
573 CH3CHO Acetaldehyde ch3cho  
574 C2H4S Thiirane thiirane  
575 CH2CHSH Ethenethiol ch2chsh  
576 CH3CHS Thioacetaldehyde ch3chs  
577 H2CONH2+ protonated formamide h2conh2+  
578 NH2CHOH+ Formamide, O-protonated nh2choh+  
579 NH3CHO+ Formamide, N-Protonated nh3cho+  
580 CH2(OH)2 methanediol ch2o2h2  
581 CH3OOH Methyl peroxide ch3ooh  
582 CH3SSH Hydrogen methyl disulfide ch3ssh  
583 HSCH2SH Methanedithiol ch4s2  
584 H2OH2CO water formaldehyde dimer h2oh2co  
585 C2H4OH+ ethylene oxide, protonated c2h4oh+  
586 CH3CHOH+ acetaldehyde, protonated ch3choh+  
587 NH2CH2OH aminomethanol nh2ch2oh  
588 CH3CH2OH Ethanol etoh  
589 CH3OCH3 Dimethyl ether meome  
590 CH3SCH3 Dimethyl sulfide mesme  
591 CH3SeCH3 dimethylselenide dmse  
592 CH3OHH2O methanol water dimer ch3ohh2o  
593 H2OCH3OH water methanol dimer h2och3oh  
594 CNF iso cyanogen fluoride cnf  
595 FCN Cyanogen fluoride fcn  
596 ClCN chlorocyanogen clcn  
597 BrCN Cyanogen bromide brcn  
598 FBO Boron monofluoride monoxide fbo  
599 BeF2 Beryllium fluoride bef2  
600 MgF2 Magnesium fluoride mgf2  
601 BeCl2 Beryllium chloride becl2  
602 MgCl2 Magnesium dichloride mgcl2  
603 CaCl2 Calcium Chloride cacl2  
604 ZnCl2 Zinc dichloride zncl2  
605 BeBr2 Beryllium bromide bebr2  
606 CaBr2 Calcium dibromide cabr2  
607 CaF2 Calcium difluoride caf2  
608 FCO+ Carbonyl fluoride cation fco+  
609 FNO Nitrosyl fluoride fno  
610 ClNO Nitrosyl chloride clno  
611 FNS Thionitrosyl fluoride fns  
612 FSN Thiazyl fluoride fsn  
613 OPCl Phosphorus oxychloride opcl  
614 INO Nitrosyl iodide ino  
615 CF2 Difluoromethylene cf2  
616 CFCl chlorofluoromethylene cfcl  
617 CCl2 dichloromethylene ccl2  
618 SiCl2 Dichlorosilylene sicl2  
619 GeF2 Germanium difluoride gef2  
620 GeCl2 Germanium dichloride gecl2  
621 CBr2 dibromomethylene cbr2  
622 PF2+ Phosphorus difluoride cation pf2+  
623 FClO chlorosyl fluoride fclo  
624 F2O Difluorine monoxide f2o  
625 ClOF Chlorine hypofluorite clof  
626 SF2 sulfur difluoride sf2  
627 Cl2O Dichlorine monoxide cl2o  
628 SCl2 Sulfur dichloride scl2  
629 SeF2 Selenium difluoride sef2  
630 SeCl2 Selenium Dichloride secl2  
631 SBr2 Sulfur dibromide sbr2  
632 SeBr2 Selenium dibromide sebr2  
633 F3- trifluoride anion f3-  
634 Cl3- trichloride anion cl3-  
635 Br3- tribromide anion br3-  
636 SFCl Sulfur chloride fluoride sfcl  
637 HCCF Fluoroacetylene hccf  
638 HCCCl Chloroacetylene hcccl  
639 HCCBr bromoacetylene hccbr  
640 HFCO formyl fluoride hfco  
641 BHF2 Difluoroborane bhf2  
642 BHCl2 Borane, dichloro- bhcl2  
643 CHF2+ difluoromethyl cation chf2+  
644 CHFCl+ Chlorofluoromethyl cation chfcl+  
645 CHCl2+ dichloromethyl cation chcl2+  
646 HOClO Chlorous acid hoclo  
647 NHF2 difluoramine nhf2  
648 NHCl2 dichloroamine nhcl2  
649 CH2F2 Methane, difluoro- ch2f2  
650 CH2FCl fluorochloromethane ch2fcl  
651 SiH2F2 difluorosilane sih2f2  
652 CH2Cl2 Methylene chloride ch2cl2  
653 CH2BrF Methane, bromofluoro- ch2fbr  
654 CH2BrCl Methane, bromochloro- ch2clbr  
655 CH2FI fluoroiodomethane ch2fi  
656 CH2Br2 dibromomethane ch2br2  
657 CH2ClI chloroiodomethane ch2cli  
658 CH2BrI bromoiodomethane ch2bri  
659 CH2I2 Diiodomethane ch2i2  
660 SiH2Cl2 dichlorosilane sih2cl2  
661 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
662 CH2CHF+ fluoroethene cation ch2chf+  
663 C2H3Cl Ethene, chloro- ch2chcl  
664 C2H3Br vinyl bromide c2h3br  
665 C2H3I Vinyl iodide c2h3i  
666 CH2FOH fluoromethanol ch2foh  
667 C2H5F fluoroethane c2h5f  
668 CH3CH2Cl Ethyl chloride c2h5cl  
669 CH3SiFH2 fluoromethylsilane ch3sifh2  
670 C2H5Br Ethyl bromide etbr  
671 C2H5I Ethyl iodide c2h5i  
672 KrF2 Krypton difluoride krf2  
673 XeF2 Xenon difluoride xef2  
674 B4H10 Tetraborane(10) b4h10  
675 C4+ Carbon tetramer cation c4+  
676 C4H2 Diacetylene c4h2  
677 C2H3CCH 1-Buten-3-yne c2h3cch  
678 C4H4 cyclobutadiene cbd  
679 C4H4 Tetrahedrane c4h4  
680 H2CCCCH2 Butatriene h2cccch2  
681 C4H6 1-Methylcyclopropene c3100047  
682 C4H6 Cyclobutene c822355  
683 C4H6 Methylenecyclopropane c6142730  
684 CH2CCHCH3 1,2-Butadiene butad12  
685 CH2CHCHCH2 1,3-Butadiene c106990  
686 CH3CCCH3 2-Butyne c503173  
687 CHCCH2CH3 1-Butyne c107006  
688 C4H8 methylcyclopropane mcp  
689 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
690 CH2CHCH2CH3 1-Butene bute1  
691 CH3CHCHCH3 2-Butene, (E)- bute2e  
692 CH3CHCHCH3 2-Butene, (Z)- bute2z  
693 B(CH3)3 trimethylborane bme3  
694 Al(CH3)3 trimethyl aluminum tma  
695 CH3CH(CH3)CH3 Isobutane isobutane  
696 CH3CH2CH2CH3 Butane butane  
697 SiH(CH3)3 trimethylsilane trimsi  
698 Li3N trilithium nitride li3n  
699 C2N2 Cyanogen c2n2  
700 P4 Phosphorus tetramer p4  
701 As4 Arsenic tetramer as4  
702 HCCCN Cyanoacetylene hcccn  
703 H2CNCN cyanamide, methylene ch2ncn  
704 HNCCNH Ethenediimine hnccnh  
705 C3H3N acrylonitrile ch2chcn  
706 CH3N3 methyl azide ch3n3  
707 NH2CCNH2 Diaminoacetylene daa  
708 NH2CH2CN Aminoacetonitrile aan  
709 CH3NHN2+ methyl azide, protonated ch3nhn2+  
710 C2H5CN ethyl cyanide c2h5cn  
711 CH5N3 Guanidine guanidine  
712 C4H6 Bicyclo[1.1.0]butane c157335  
713 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
714 H2NCHCHNH2 diaminoethylene dae  
715 CH6N3+ guanidinium ch6n3+  
716 C3H7N Cyclopropylamine cpram  
717 CH7N3 triaminomethane tam  
718 C3H7N Azetidine azet  
719 C4H8 cyclobutane cbutane  
720 C2H8N2 Ethylenediamine ethdiam  
721 CH3NHNHCH3 dimethyl hydrazine dmh  
722 CH3CH(NH2)CH3 2-Propanamine pram2  
723 N(CH3)3 Trimethylamine trimeam  
724 NH2CH2CH2CH3 1-Propanamine pram1  
725 P(CH3)3 trimethylphosphine tmp  
726 N(SiH3)3 trisilylamine tsa  
727 As(CH3)3 trimethyl arsine tmas  
728 (CH3)3NH+ protonated trimethyl amine ptma  
729 C3H7NH3+ n-propylamine, protonated c3h7nh2  
730 Li2O2 dilithium dioxide li2o2  
731 Na2O2 disodium dioxide na2o2  
732 K2O2 dipotassium dioxide k2o2  
733 C3O Tricarbon monoxide c3o  
734 B2O2 Diboron dioxide b2o2  
735 ONNO NO dimer onno  
736 S2N2 Disulfur dinitride s2n2  
737 CO3 Carbon trioxide co3  
738 CO3-- carbonate co3--  
739 CS3-- Carbonotrithioate cs3--  
740 NO3- nitrate anion no3-  
741 SO3 Sulfur trioxide so3  
742 SO3-- Sulfate dianion so3--  
743 SeO3 selenium trioxide seo3  
744 S4 Sulfur tetramer s4  
745 TeO3 Tellurium trioxide teo3  
746 HCO3- bicarbonate anion hco3-  
747 HNO3 Nitric acid hno3  
748 NH2NO2 nitramide nh2no2  
749 C2H2CO cyclopropenone c2h2co  
750 C3H2O Propadienal c3h2o  
751 HCCCHO 2-propynal hcccho  
752 C2H2O2+ Ethanedial cation c2h2o2+  
753 H2CO3 Carbonic acid h2co3  
754 H2CS3 thiocarbonic acid h2cs3  
755 H2NO3+ Nitric Acid, Protonated h2no3+  
756 H2SO3 Sulfurous acid h2so3  
757 C2H3NO Nitrosoethylene c2h3no  
758 CH3NCO methylisocyante ch3nco  
759 HOCH2CN cyanomethanol hoch2cn  
760 CH3COO- acetate anion ch3coo-  
761 CH3NO2 Methane, nitro- ch3no2  
762 CH3ONO Methyl nitrite ch3ono  
763 NH2COOH Carbamic acid nh2cooh  
764 H3BO3 Boric acid h3bo3  
765 H3AlO3 Aluminum hydroxide h3alo3  
766 H3CO3+ carbonic acid, protonated h3co3+  
767 C3H4O 2-Propyn-1-ol c107197  
768 C3H4O allenol c9000071  
769 C3H4O Cyclopropanone cpone  
770 C3H4O Methylketene c6004440  
771 CH2CHCHO Acrolein c3h4o  
772 NH2CONH2 Urea urea  
773 NH2CONH2+ Urea cation urea+  
774 NH2CSNH2 Thiourea thiourea  
775 C2H4O2 1,3-dioxetane c2h4o2  
776 CH3COOH Acetic acid ch3cooh  
777 CH3OCHO methyl formate ch3ocho  
778 CHOCH2OH hydroxy acetaldehyde haa  
779 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
780 NH3COOH+ protonated Carbamic acid nh3cooh+  
781 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
782 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
783 HCOOHH2O Formic acid water dimer hcoohh2o  
784 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
785 CH2C(OH)NH2 1-amino vinyl alchohol ava  
786 CH3C(OH)=NH Ethaninidic acid eia  
787 CH3CHNOH Acetaldoxime acetaldoxime  
788 CH3CONH2 Acetamide acetamide  
789 HCONHCH3 N-methylformamide nmfa  
790 CH3CSNH2 Ethanethioamide ch3csnh2  
791 CH5N2O+ urea, N-protonated ch4n2o+  
792 H2NCOHNH2+ urea, protonated ureah+  
793 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
794 C3H5OH Cyclopropanol cproh  
795 C3H6O 2-Propen-1-ol c107186  
796 C3H6O Acetone enol enol  
797 C3H6O Oxetane oxetane  
798 C3H6O Propylene oxide prox  
799 CH3CH2CHO Propanal propanal  
800 CH3COCH3 Acetone acetone  
801 C3H6S Thietane thietane  
802 C3H6S Thiirane, methyl- methiirane  
803 CH3CSCH3 Thioacetone ch3csch3  
804 C2H6O2 1,2-Ethanediol ethdiol  
805 CH3OOCH3 dimethylperoxide dmp  
806 CH3SOCH3 Dimethyl sulfoxide dmso  
807 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
808 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
809 CH3COHCH3+ acetone, protonated acetoneh+  
810 HOCH2CH2NH2 monoethanolamine mea  
811 C3H7OH 1-Propanol proh  
812 CH3CHOHCH3 Isopropyl alcohol isoproh  
813 CH3OC2H5 Ethane, methoxy- etome  
814 C3H7SH 1-Propanethiol prsh  
815 CH3CHSHCH3 2-Propanethiol isoprsh  
816 CH3SCH2CH3 Ethane, (methylthio)- etsme  
817 H2OCH3OCH3 water dimethylether dimer h2och3och3  
818 Li2F2 Lithium fluoride dimer li2f2  
819 Na2F2 Sodium Fluoride Dimer na2f2  
820 Na2Cl2 Disodium dichloride na2cl2  
821 C2F2 difluoroacetylene c2f2  
822 C2Cl2 dichloroacetylene c2cl2  
823 FNO2 Nitryl fluoride fno2  
824 FONO Nitrosyl hypofluorite fono  
825 ClNO2 Nitryl chloride clno2  
826 ClONO chlorine nitrite clono  
827 N2F2 (Z)-Difluorodiazene n2f2_z  
828 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
829 CF2O Carbonic difluoride f2co  
830 CCl2O Phosgene cl2co  
831 Cl2CS Thiophosgene cl2cs  
832 BF3 Borane, trifluoro- bf3  
833 AlF3 Aluminum trifluoride alf3  
834 BClF2 Chlorodifluoroborane bclf2  
835 AlF2Cl Aluminum chloride difluoride alclf2  
836 ScF3 Scandium trifluoride ScF3  
837 AlFCl2 Aluminum dichloride fluoride alcl2f  
838 BCl3 Borane, trichloro- bcl3  
839 GaF3 Gallium trifluoride gaf3  
840 AlCl3 Aluminum trichloride alcl3  
841 GaCl3 Gallium trichloride gacl3  
842 BBr3 Boron tribromide bbr3  
843 AlBr3 Aluminum Bromide albr3  
844 ClO3 Chlorine trioxide clo3  
845 ClO3- chlorate anion clo3-  
846 BrO3- Bromate anion bro3-  
847 SiCl3 trichlorosilyl radical sicl3  
848 SiCl3+ trichlorosilyl cation sicl3+  
849 FOOF Perfluoroperoxide foof  
850 ClO2F Chloryl fluoride clo2f  
851 F2SO Thionyl Fluoride f2so  
852 ClOOCl Dichlorine dioxide cloocl  
853 FSSF Difluorodisulfane fssf  
854 S2F2 Thio-thionyl fluoride s2f2  
855 SOCl2 thionyl chloride socl2  
856 SSCl2 Thiothionyl chloride sscl2  
857 SeOCl2 selenium oxychloride seocl2  
858 PF3 Phosphorus trifluoride pf3  
859 NCl3 nitrogen trichloride ncl3  
860 AsF3 Arsenic trifluoride asf3  
861 PCl3 Phosphorus trichloride pcl3  
862 SbF3 Antimony Trifluoride sbf3  
863 AsCl3 Arsenous trichloride ascl3  
864 SbCl3 Antimony Trichloride sbcl3  
865 NBr3 Nitrogen Tribromide nbr3  
866 PBr3 Phosphorus tribromide pbr3  
867 AsBr3 Arsenic tribromide asbr3  
868 NI3 Nitrogen triiodide ni3  
869 PI3 Phosphorus triiodide pi3  
870 ClSSCl Disulfur dichloride s2cl2  
871 ClF3 Chlorine trifluoride clf3  
872 BrF3 Bromine trifluoride brf3  
873 IF3 iodone trifluoride if3  
874 HClO3 Chloric Acid hclo3  
875 CHF3 Methane, trifluoro- chf3  
876 CHF2Cl difluorochloromethane chf2cl  
877 SiHF3 trifluorosilane sihf3  
878 CHFCl2 fluorodichloromethane chfcl2  
879 CDCl3 trichloromethane-d cdcl3  
880 CHCl3 Chloroform chcl3  
881 SiHCl3 Trichlorosilane sihcl3  
882 CHFClBr fluorochlorobromomethane chfclbr  
883 CHF2I difluoroiodomethane chf2i  
884 CHBr2F dibromofluoromethane chbr2f  
885 CHFClI fluorochloroiodomethane chfcli  
886 CHCl2I dichloroiodomethane chcl2i  
887 CHBr3 bromoform chbr3  
888 CHI3 Iodoform chi3  
889 NF3H+ protonated nitrogen trifluoride nf3h+  
890 AsF3H+ Arsenic trifluoride, protonated asf3h+  
891 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
892 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
893 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
894 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
895 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
896 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
897 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
898 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
899 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
900 C2H2Br2 1,1-dibromoethene c2h2br2  
901 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
902 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
903 CH2FCHO Fluoroacetaldehyde ch2fcho  
904 CH3COF Acetyl fluoride ch3cof  
905 CH3COCl Acetyl Chloride ch3cocl  
906 C2H4F2 1,2-difluoroethane c2h4f2  
907 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
908 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
909 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
910 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
911 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
912 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
913 CH2CFCH3 2-fluoropropene 2fpro  
914 CH2CHCH2F Allyl Fluoride allylf  
915 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
916 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
917 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
918 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
919 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
920 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
921 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
922 CH2FCH2CH3 1-Fluoropropane prf1  
923 CH3CHFCH3 2-Fluoropropane prf2  
924 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
925 CH3CHClCH3 Propane, 2-chloro- prcl2  
926 C3H9O+ trimethyl oxonium cation c3h9o+  
927 B5H9 pentaborane9 b5h9  
928 C5H4 pentatetraene ptrene  
929 C5H5- cylopentadienyl anion c5h5-  
930 C5H6 1,3-Cyclopentadiene c542927  
931 C5H6 1-Buten-3-yne, 2-methyl- c78808  
932 C5H6 3-Penten-1-yne, (E)- c2004695  
933 C5H6 3-Penten-1-yne, (Z)- c1574409  
934 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
935 C5H6 Cyclopropylacetylene c6746947  
936 C5H6 Propellane propellane  
937 C5H7 1,3-pentadienyl radical pdyl  
938 C5H8 1,2-Butadiene, 3-methyl- c598254  
939 C5H8 1,2-Pentadiene c591957  
940 C5H8 1,3-Butadiene, 2-methyl- c78795  
941 C5H8 1,3-Pentadiene, (E)- c2004708  
942 C5H8 1,3-Pentadiene, (Z)- c1574410  
943 C5H8 1,4-Pentadiene c591935  
944 C5H8 1-pentyne a1pentyne  
945 C5H8 2,3-Pentadiene c591968  
946 C5H8 Bicyclo[1.1.1]pentane bcp  
947 C5H8 Cyclobutane, methylene- c1120565  
948 C5H8 Cyclopentene c142290  
949 C5H8 Ethenylcyclopropane c693867  
950 CH3CCCH2CH3 2-Pentyne 2pentyne  
951 C5H10 1-Butene, 2-methyl- c563462  
952 C5H10 2-Butene, 2-methyl- c513359  
953 C5H10 2-Pentene, (E)- c646048  
954 C5H10 2-Pentene, (Z)- c627203  
955 C5H10 Cyclopentane c287923  
956 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
957 CH2CHCH2CH2CH3 1-pentene pentene  
958 C5H12 Butane, 2-methyl- buta2  
959 C5H12 Pentane pentane  
960 C5H12 Propane, 2,2-dimethyl- neopentane  
961 Si(CH3)4 tetramethylsilane tms  
962 N2O3 Dinitrogen trioxide n2o3  
963 C3H2N2 Malononitrile c3h2n2  
964 CH2N4 1H-Tetrazole 1htz  
965 C3H3N2- imidizolyl anion im-  
966 C2H3N3 1H-1,2,4-Triazole c288880  
967 C4H4N- pyrrolide anion c4h4n-  
968 C3H4N2 1H-Imidazole 1himidaz  
969 C3H4N2 1H-Pyrazole 1hpyraz  
970 C3H4N2 2H-Imidazole imid2h  
971 C3H4N2 4H-Imidazole imid4h  
972 C4H5N (E)-2-Butenenitrile c627269  
973 C4H5N (Z)-2-Butenenitrile c1190767  
974 C4H5N 2H-pyrrole pyrrole2  
975 C4H5N 3H-pyrrole pyrrole3  
976 C4H5N Cyclopropanecarbonitrile c5500210  
977 C4H5N Pyrrole pyrrole  
978 CH2CHCH2CN Allylcyanide ch2chch2cn  
979 C4H6N+ pyrrole, alpha-protonated appyr  
980 C4H6N+ pyrrole, beta-protonated bppyr  
981 C4H6N+ pyrrole, protonated ppyr  
982 C3H6N2 3-Aminopropionitrile c151188  
983 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
984 CH3CH2CH2CN Butanenitrile c109740  
985 C5H8 Bicyclo[2.1.0]pentane c185944  
986 C5H8 Spiropentane c157404  
987 C4H9N Cyclobutylamine cbam  
988 C4H9N Pyrrolidine pyrrolidine  
989 C3H10N2 1,2-Diaminopropane diampr12  
990 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
991 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
992 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
993 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
994 NH(C2H5)2 diethylamine dea  
995 NC4H12+ tetramethyl ammonium cation nc4h12+  
996 C3O2 Carbon suboxide c3o2  
997 B2O3 diboron trioxide b2o3  
998 MgCO3 Magnesium Carbonate mgco3  
999 BeCO3 Beryllium Carbonate beco3  
1000 CaCO3 Calcium Carbonate caco3  
1001 ONONO Nitrosyl nitrite onono  
1002 PO4--- phosphate po4---  
1003 SO4-- sulfate so4--  
1004 HOONO2 peroxy nitric acid hoono2  
1005 HSO4- bisulfate anion hso4-  
1006 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1007 C3H2O2 Propiolic acid c3h2o2  
1008 CHOCOOH oxo acetic acid oaa  
1009 CHOOCHO diformyl ether choocho  
1010 H2SO4 Sulfuric acid h2so4  
1011 H2SeO4 Selenic acid h2seo4  
1012 C3H3NO Isoxazole isox  
1013 C3H3NO Oxazole oxazole  
1014 C3H3NS Thiazole thiazole  
1015 CH3C(O)OO acetyl peroxy radical ch3coo2  
1016 CH3NO3 Methyl nitrate ch3no3  
1017 H3PO4 Phosphoric Acid h3po4  
1018 C4H4O Furan furan  
1019 C4H4O+ Furan cation furan+  
1020 CH3COCCH 3-butyn-2-one c1423605  
1021 C4H4S Thiophene furans  
1022 C4H4Se selenophene c4h4se  
1023 C3H4O2 β–Propiolactone beta  
1024 C3H4O2 2-Propenoic acid propenoic2  
1025 C3H4O2 Methyl glyoxal megly  
1026 C3H4O2 propanedial propanedial  
1027 C3H4O2 propenalol propenalol  
1028 HOCHCCHOH allenediol aldiol  
1029 C2H4O3 1,2,3-trioxolane c2h4o3  
1030 C2H4O3 trioxolane124 triox  
1031 HOCH2COOH Hydroxyacetic acid hac  
1032 CH2CHCONH2 Acrylamide c79061  
1033 CH3OCH2CN Methoxyacetonitrile c1738369  
1034 CH5N3S Hydrazinecarbothioamide c79196  
1035 H2NCH2COOH Glycine glycine  
1036 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1037 C4H6O cis-2-butenal butenal2c  
1038 C4H6O Cyclobutanone cbutone  
1039 C4H6O Furan, 2,3-dihydro- furan23h  
1040 C4H6O Furan, 2,5-dihydro- furan25h  
1041 CH2CHOCHCH2 Vinyl ether vinylether  
1042 CHOCHCHCH3 2-Butenal butenal2  
1043 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1044 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1045 CH2CHSCHCH2 Divinyl sulfide divis  
1046 C2H6N2O Urea, methyl- c598505  
1047 C3H6O2 1,3-Dioxolane dioxolane  
1048 CH3CH2COOH Propanoic Acid propanoic  
1049 CH3COOCH3 methyl acetate aame  
1050 HCOOC2H5 Ethyl formate faee  
1051 C2H6O2S Dimethyl sulfone c67710  
1052 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1053 C3H7NO dimethylformamide dmf  
1054 C3H7NO Propanamide propanam  
1055 C2H3OC2H5 Ethene, ethoxy- c109922  
1056 C4H8O Cyclobutanol c2919235  
1057 C4H8O Furan, tetrahydro- thf  
1058 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1059 CH3COCH2CH3 2-Butanone buta2one  
1060 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1061 CHOCH2CH2CH3 Butanal butanal  
1062 C4H8S Thiophene, tetrahydro- tht  
1063 C3H8O2 1,3-Propanediol c504632  
1064 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1065 C3H8O2 Methane, dimethoxy- c109875  
1066 C3H8O2 Propylene glycol c57556  
1067 C3H8S2 1,3-Propanedithiol c109808  
1068 C4H10O 1-Butanol butanol1  
1069 C4H10O 1-Propanol, 2-methyl- c78831  
1070 C4H10O 2-Butanol, (.+/-.)- butanol2  
1071 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1072 C4H10O Ethoxy ethane etoet  
1073 C4H10O Methyl propyl ether meopr  
1074 C4H10O Propane, 2-methoxy- c598538  
1075 C4H10O+ 1-Butanol cation butanol1+  
1076 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1077 C2H5SC2H5 Diethyl sulfide etset  
1078 C4H9SH 1-Butanethiol bush  
1079 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1080 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1081 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1082 FNO3 Fluorine nitrate fno3  
1083 ClONO2 Chlorine nitrate clono2  
1084 BrONO2 Bromine nitrate brono2  
1085 TiCl4 Titanium tetrachloride ticl4  
1086 ClO4- perchlorate anion clo4-  
1087 BF4- tetrafluoroboron anion bf4-  
1088 ClFO3 Perchloryl fluoride clfo3  
1089 SO2F2 Sulfuryl fluoride so2f2  
1090 SO2Cl2 Sulfuryl chloride so2cl2  
1091 F3NO Nitrogen trifluoride oxide f3no  
1092 F3PO Phosphoryl fluoride pf3o  
1093 Cl3PO Phosphoryl chloride pcl3o  
1094 CF4 Carbon tetrafluoride cf4  
1095 CF3Cl Methane, chlorotrifluoro- cf3cl  
1096 SiF4 Silicon tetrafluoride sif4  
1097 CF2Cl2 difluorodichloromethane cf2cl2  
1098 TiF4 Titanium tetrafluoride tif4  
1099 CFCl3 Trichloromonofluoromethane cfcl3  
1100 CF3Br Bromotrifluoromethane cf3br  
1101 GeF4 Germanium tetrafluoride gef4  
1102 CCl4 Carbon tetrachloride ccl4  
1103 CCl4+ Carbon tetrachloride cation ccl4+  
1104 SiCl4 Silane, tetrachloro- sicl4  
1105 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1106 CF3I trifluoroiodomethane cf3i  
1107 CBrCl3 Methane, bromotrichloro- cbrcl3  
1108 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1109 GeCl4 Germanium Tetrachloride gecl4  
1110 CBr2ClF dibromochlorofluoromethane cbr2clf  
1111 CBr2Cl2 dibromodichloromethane cbr2cl2  
1112 CCl3I trichloroiodomethane ccl3i  
1113 CFBr3 fluorotribromomethane cfbr3  
1114 CFClBrI fluorochlorobromoiodomethane cfclbri  
1115 CBr3Cl tribromochloromethane cbr3cl  
1116 CF2I2 difluorodiiodomethane cf2i2  
1117 CCl2I2 dichlorodiiodomethane ccl2i2  
1118 SiBr4 Silicon tetrabromide sibr4  
1119 CBr3I tribromoiododmethane cbr3i  
1120 GeBr4 Germanium tetrabromide gebr4  
1121 CI4 tetraiodomethane ci4  
1122 SiI4 silicon tetraiodide sii4  
1123 ClOF3 Chlorine trifluoride oxide clof3  
1124 SF4 Sulfur tetrafluoride sf4  
1125 SeF4 Selenium tetrafluoride sef4  
1126 SCl4 Sulfur tetrachloride scl4  
1127 C2HF3 Trifluoroethylene c2hf3  
1128 CHClCCl2 Trichloroethylene chclccl2  
1129 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1130 HClO4 perchloric acid hclo4  
1131 HSO3F Fluorosulfonic acid hso3f  
1132 CF3OH trifluoromethanol cf3oh  
1133 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1134 CHClCCHCl 1,3-dichloroallene chclcchcl  
1135 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1136 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1137 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1138 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1139 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1140 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1141 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1142 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1143 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1144 NH3BCl3 Amminetrichloroboron nh3bcl3  
1145 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1146 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1147 C3H5ClO Oxirane, (chloromethyl)- c106898  
1148 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1149 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1150 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1151 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1152 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1153 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1154 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1155 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1156 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1157 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1158 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1159 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1160 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1161 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1162 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1163 C4H9F 1-fluorobutane butaf1  
1164 CH3CHFCH2CH3 2-fluorobutane butaf2  
1165 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1166 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1167 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1168 C2H2N2O Furazan furazan  
1169 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1170 NH3BF3 Amminetrifluoroboron nh3bf3  
1171 C6H2 hexatriyne c6h2  
1172 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1173 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1174 C6H4 Benzyne benzyne  
1175 C6H5 phenyl phenyl  
1176 C6H5- phenyl anion phenyl-  
1177 C6H6 Prismane prismane  
1178 C6H6 1,2,4,5-Hexatetraene ht1245  
1179 C6H6 2,4-Hexadiyne hexadiyne  
1180 C6H6 3,4-Dimethylenecyclobutene cb34m  
1181 C6H6 Benzene benzene  
1182 C6H6 Benzvalene bv  
1183 C6H6 Dewar Benzene dewar  
1184 C6H6 Hexa-1,5-diene-3-yne hdy153  
1185 C6H6 Trimethylenecycopropane tmcp  
1186 C6H6+ Benzene cation c6h6+  
1187 C6H7+ benzene, protonated c6h7+  
1188 C6H8 (E)-hexa-1,3,5-triene c821078  
1189 C6H8 (E)-hexa-2,3,4-triene c59660650  
1190 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1191 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1192 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1193 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1194 C6H8 3-Methylenecyclopentene c930267  
1195 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1196 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1197 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1198 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1199 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1200 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1201 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1202 C6H10 1,5-Hexadiene c592427  
1203 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1204 C6H10 1-Hexyne hexyne1  
1205 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1206 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1207 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1208 C6H10 2-Hexyne c764352  
1209 C6H10 3-Hexyne hexyne3  
1210 C6H10 cyclohexene cyclohexene  
1211 C6H10 Cyclopentene, 1-methyl- c693890  
1212 C6H10 Cyclopentene, 3-methyl- c1120623  
1213 C6H10 Cyclopentene, 4-methyl- c1759815  
1214 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1215 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1216 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1217 C6H12 (E)-2-Hexene e2hexene  
1218 C6H12 (E)-3-methylpent-2-ene c616126  
1219 C6H12 (E)-hex-3-ene e3hexene  
1220 C6H12 (Z)-3-methylpent-2-ene c922623  
1221 C6H12 (Z)-hex-2-ene z2hexene  
1222 C6H12 (Z)-hex-3-ene z3hexene  
1223 C6H12 2,3-dimethylbut-1-ene c563780  
1224 C6H12 2,3-dimethyl-but-2-ene tmeet  
1225 C6H12 3-methylenepentane c760214  
1226 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1227 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1228 C6H12 Cyclohexane cyclohexane  
1229 C6H12 Cyclopentane, methyl- c96377  
1230 C6H12 Ethylcyclobutane c4806615  
1231 C6H12 hex-1-ene hexene1  
1232 C6H14 Butane, 2,2-dimethyl- buta22  
1233 C6H14 Butane, 2,3-dimethyl- buta23  
1234 C6H14 Hexane hexane  
1235 C6H14 Pentane, 2-methyl- penta2  
1236 C6H14 Pentane, 3-methyl- penta3  
1237 C4N2 2-Butynedinitrile c4n2  
1238 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1239 C4H2N2 Fumaronitrile c4h2n2  
1240 C2H2N4 sym-tetrazine ttz  
1241 C3H3N3 1,3,5-Triazine triazine135  
1242 CH3N5 5-Aminotetrazole c4418615  
1243 C4H4N2 1,3-Diazine diazine13  
1244 C4H4N2 Pyrazine pyrazine  
1245 C4H4N2 Pyridazine pyridazine  
1246 C4H4N2 Succinonitrile c110612  
1247 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1248 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1249 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1250 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1251 C5H5N E-2,4-pentadienenitrile bdcn  
1252 C5H5N Pyridine pyridine  
1253 B3N3H6 borazine borazine  
1254 C6H6 Fulvene fulvene  
1255 C5H6N+ Pyridinium c5h6n  
1256 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1257 C5H7N (E)-2-Pentenenitrile c26294984  
1258 C5H7N (E)-3-Pentenenitrile c16529661  
1259 C5H7N (Z)-2-Pentenenitrile c25899507  
1260 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1261 C5H7N Cyclobutanecarbonitrile c4426113  
1262 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1263 C5H9N Butanenitrile, 2-methyl- c18936179  
1264 C5H9N Pentanenitrile c110598  
1265 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1266 C6H10 Bicyclo[3.1.0]hexane c285585  
1267 C5H11N Cyclopentanamine cypentam  
1268 C5H11N Piperidine piper  
1269 C4H12N2 1,2-Butanediamine c4426486  
1270 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1271 Li2CO3 Lithium Carbonate li2co3  
1272 Na2CO3 Sodium Carbonate na2co3  
1273 C2O4-- oxalate anion c2o4  
1274 MgSO4 Magnesium Sulfate mgso4  
1275 N2O4 Dinitrogen tetroxide n2o4  
1276 C3H2O3 vinylene carbonate vica  
1277 C2H2O4 Oxalic Acid oxalic  
1278 C2H3NO3 Oxamic acid oxamic  
1279 C4H4O2 2(5H)-Furanone furanone  
1280 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1281 C2H4N2O2 Oxalamide oxalamide  
1282 C2H4N2S2 Ethanedithioamide c79403  
1283 C2H4CO3 Ethylene carbonate etco3  
1284 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1285 C3H4S3 1,3-Dithiolane-2-thione c822388  
1286 C2H4O4 Formic acid dimer fadimer  
1287 C4H5NO 3-Methylisoxazole isox3m  
1288 C4H5NO Isoxazole, 5-methyl- c5765446  
1289 C4H5NS 4-Methylthiazole c693958  
1290 C2H5NO3 Nitric acid, ethyl ester c625581  
1291 C5H6O 2H-Pyran pyran2  
1292 C5H6O 2-methylfuran furan2m  
1293 C5H6O 3-Methylfuran furan3m  
1294 C5H6O Pentadienal pdal  
1295 C5H6S Thiophene, 2-methyl- c554143  
1296 C5H6S Thiophene, 3-methyl- c616444  
1297 C4H6O2 γ–Butyrolactone c96480  
1298 C4H6O2 2,3-Butanedione c431038  
1299 C4H6O2 2-Propenoic acid, methyl ester c96333  
1300 C4H6O2 Crotonic Acid crot  
1301 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1302 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1303 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1304 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1305 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1306 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1307 C4H6OS Vinyl sulfoxide c1115157  
1308 CH6N4S Carbonothioic dihydrazide thiacarb  
1309 C2H6N2O2 (E)-Azodioxymethane c37765154  
1310 C2H6N2O2 Dimethylnitroamine c4164287  
1311 C3H6O3 1,3,5-Trioxane trioxane  
1312 C3H6S3 1,3,5-Trithiane c3h6s3  
1313 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1314 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1315 C4H7NO 2-Pyrrolidinone c616455  
1316 C4H7NO Ethoxyacetonitrile etoaccn  
1317 C4H7NO Methacrylamide c79390  
1318 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1319 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1320 C3H7ONO Propyl nitrite prono  
1321 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1322 CH3CH(NH2)COOH Alanine alanine  
1323 CH3NHCH2COOH Sarcosine sarcosine  
1324 NH2CH2CH2COOH β–alanine betaalanine  
1325 NH2COOC2H5 Urethane urethane  
1326 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1327 C5H8O Cyclopentanone c120923  
1328 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1329 C5H8O Methyl cyclopropyl ketone c765435  
1330 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1331 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1332 NH2CONHC2H5 Urea, ethyl- c625525  
1333 C4H8O2 1,3-Dioxane dioxan13  
1334 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1335 C4H8O2 1,4-Dioxane dioxan14  
1336 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1337 C4H8O2 Ethyl acetate c141786  
1338 C4H8OS s-Ethyl thioacetate c625605  
1339 C3H8O3 1,2,3-Propanetriol glycerin  
1340 C3H8O2S (Methylsulfonyl)ethane c594434  
1341 C4H9NO Butanamide c541355  
1342 C4H9NO Propanamide, 2-methyl- c563837  
1343 C5H10O 2-Butanone, 3-methyl- c563804  
1344 C5H10O 2H-Pyran, tetrahydro- c142687  
1345 C5H10O 2-methylbutyraldehyde 2meba  
1346 C5H10O 2-Pentanone mpk  
1347 C5H10O 3-Pentanone dek  
1348 C5H10O Cyclopentanol c96413  
1349 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1350 C5H10O Pentanal pal  
1351 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1352 C5H10S 3-Ethylthio-1-propene c5296628  
1353 C5H10S Cyclopentanethiol c1679078  
1354 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1355 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1356 C4H10O2 1,1-Dimethoxyethane c534156  
1357 C4H10O2 1,3-Butanediol budiol13  
1358 C4H10O2 1,4-Butanediol budiol14  
1359 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1360 C4H10OS Diethyl sulfoxide c70291  
1361 C4H10S2 1,4-Butanedithiol budisl14  
1362 C4H11NO Diethylhydroxylamine c3710847  
1363 C5H12O 1-Butanol, 2-methyl- c137326  
1364 C5H12O 1-Butanol, 3-methyl- c123513  
1365 C5H12O 1-Pentanol pentanol1  
1366 C5H12O 2-Butanol, 3-methyl- c598754  
1367 C5H12O 2-Pentanol peol2  
1368 C5H12O 3-Pentanol pentan3ol  
1369 C5H12O Butane, 1-methoxy- meobu  
1370 C5H12O Propane, 1-ethoxy- proet  
1371 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1372 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1373 C5H12S 1-Butanethiol, 3-methyl- c541311  
1374 C5H12S 1-Pentanethiol c110667  
1375 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1376 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1377 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1378 C5H12S Butane, 1-(methylthio)- c628295  
1379 C5H12S Ethyl propyl sulfide c4110503  
1380 C5H12S Propane, 2-(ethylthio)- c5145993  
1381 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1382 C4F2 difluorobutadiyne c4f2  
1383 ClCOClCO Oxalyl chloride oxcl  
1384 CF3CN Acetonitrile, trifluoro- cf3cn  
1385 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1386 B2F4 Diboron tetrafluoride b2f4  
1387 B2Cl4 Diboron tetrachloride b2cl4  
1388 C2F4 Tetrafluoroethylene c2f4  
1389 C2F4+ Tetrafluoroethylene cation c2f4+  
1390 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1391 CF2CCl2 difluorodichloroethylene cf2ccl2  
1392 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1393 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1394 C2FCl3 fluorotrichloroethene c2fcl3  
1395 C2Cl4 Tetrachloroethylene c2cl4  
1396 C2Br4 tetrabromoethene c2br4  
1397 CF3OF Trifluoromethylhypofluorite cf3of  
1398 SiF5- silicon pentafluoride anion sif5-  
1399 SOF4 Sulfur tetrafluoride oxide sof4  
1400 PF5 Phosphorus pentafluoride pf5  
1401 AsF5 Arsenic pentafluoride asf5  
1402 PCl5 Phosphorus pentachloride pcl5  
1403 SF5+ pentafluoro sulfur cation sf5+  
1404 SbCl5 Antimony pentachloride sbcl5  
1405 BrF5 bromine pentafluoride brf5  
1406 ClF5 chlorinepentafluoride clf5  
1407 IF5 pentafluoroiodine if5  
1408 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1409 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1410 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1411 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1412 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1413 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1414 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1415 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1416 CF3COOH trifluoroacetic acid cf3cooh  
1417 C4H3ClO Furan, 2-chloro fur2cl  
1418 C4H3ClO Furan,3-chloro fur3cl  
1419 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1420 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1421 C4H8Cl2 1,4-Dichlorobutane c110565  
1422 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1423 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1424 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1425 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1426 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1427 C5H11Cl Pentane, 1-chloro- pencl1  
1428 C4H8O2 Butanoic acid bua  
1429 C7H7+ cycloheptatrienyl cation c7h7+  
1430 C6H5CH3 toluene toluene  
1431 C7H8 cycloheptatriene cht  
1432 C7H8 Norbornadiene norbor  
1433 C7H8 Quadricyclane qucy  
1434 C7H12 Norbornane nor  
1435 C7H14 cycloheptane c7h14  
1436 C7H16 2-methylhexane 2mhex  
1437 C7H16 3-methylhexane hex3m  
1438 C7H16 heptane heptane  
1439 CH(CN)3 tricyanomethane mecn3  
1440 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1441 C6H7N 2-Methylpyridine mp  
1442 C6H5NH2 aniline aniline  
1443 C6H13N 2-Methylpiperidine pip2m  
1444 C6H15N triethylamine tea  
1445 N2O5 Dinitrogen pentoxide n2o5  
1446 C4H2O3 Maleic Anhydride malan  
1447 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1448 C5H4O2 furfural furfural  
1449 C5H5NO 2(1H)-Pyridinone c72762006  
1450 C5H5NO 2(3H)-Pyridinone c9000048  
1451 C5H5NO 2(5H)-Pyridinone c9000037  
1452 C5H5NO 2-Pyridinol c109104  
1453 C5H5NO 3(2H)-Pyridinone c9000004  
1454 C5H5NO 3(4H)-Pyridinone c9000026  
1455 C5H5NO 3(6H)-Pyridinone c9000015  
1456 C5H5NO 3-Pyridinol c109002  
1457 C5H5NO 4(1H)-Pryidinone c9000060  
1458 C5H5NO 4(3H)-Pryidinone c9000059  
1459 C5H5NO 4-Pyridinol c626642  
1460 C6H5OH phenol phenol  
1461 C6H6O 2,4-Cyclohexadienone c24599573  
1462 C6H6O 2,5-Cyclohexadienone c5664335  
1463 C6H5SH Benzenethiol phsh  
1464 HO2CCHNH2CH2OH Serine serine  
1465 C5H8O2 Acetylacetone acac  
1466 C4H8O2S Sulfolane sulfolane  
1467 C7H10 Norbornene norbornene  
1468 CH(C2H3)3 trivinyl methane tvm  
1469 C6H10O cyclohexanone chexo  
1470 C6H12O hexanal c6h12o  
1471 C6H12O Oxepane oxepane  
1472 C3H7OC3H7 di-n-propyl ether propr  
1473 F2CCCF2 tetrafluoroallene pfa  
1474 CF3COO- trifluoro acetate anion cf3coo-  
1475 CF3COF trifluoroacetyl fluoride cf3cof  
1476 CF3COCl trifluoroacetyl chloride cf3cocl  
1477 PF6- Hexafluorophosphate ion pf6-  
1478 SF6 Sulfur Hexafluoride sf6  
1479 SeF6 Selenium hexafluoride sef6  
1480 SF5Cl sulfur chloropentafluoride sf5cl  
1481 CF3CHF2 pentafluoroethane cf3chf2  
1482 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1483 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1484 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1485 CCl3CHCl2 pentachloroethane ccl3chcl2  
1486 C6H5F Fluorobenzene bzf  
1487 C6H5Cl chlorobenzene bzcl  
1488 C6H5Br bromobenzene bzbr  
1489 C8H6 Calicene calicene  
1490 C6H5CCH phenylacetylene phac  
1491 C8H6 benzocyclobutadiene bcbd  
1492 C8H6 Pentalene pentalene  
1493 C6H5CHCH2 Styrene styrene  
1494 C8H8 cubane cubane  
1495 C8H8 cyclooctatetraene cot  
1496 C6H5CH2CH3 Ethylbenzene etbz  
1497 CH3C6H4CH3 meta-xylene mxylene  
1498 CH3C6H4CH3 paraxylene pxylene  
1499 C8H14 Bicyclo[2.2.2]octane bico222  
1500 C8H16 cyclooctane cyclooct  
1501 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1502 C8H18 Octane c8h18  
1503 C6H5CN phenyl cyanide phcn  
1504 C6H12N2 Triethylenediamine ted  
1505 C4O4-- squarate dianion c4o4--  
1506 S4N4 Tetrasulfur tetranitride s4n4  
1507 S8 Octasulfur s8  
1508 C6H4O2 parabenzoquinone pbq  
1509 C4H4N2O2 Uracil uracil  
1510 C6H5CHO benzaldehyde benzal  
1511 C6H5OCH3 Anisole anisole  
1512 C5H9NO2 Proline proline  
1513 C4F4 tetrafluorcyclobutadiene c4f4  
1514 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1515 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1516 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1517 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1518 C2F6 hexafluoroethane c2f6  
1519 C2Cl6 hexachloroethane c2cl6  
1520 IF7 Iodine heptafluoride if7  
1521 C6H4F2 metadifluorobenzene mdfb  
1522 C6H4F2 orthodifluorobenzene odfb  
1523 C6H4F2 1,4-difluorobenzene pdfb  
1524 C6H4Cl2 1,2-dichlorobenzene dcb12  
1525 C6H4Cl2 1,3-dichlorobenzene dcb13  
1526 C6H4Cl2 1,4-dichlorobenzene dcb14  
1527 C6H5NO nitrosobenzene bzno  
1528 C9H8 Indene indene  
1529 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1530 C9H12 n-propyl benzene prbz  
1531 C9H20 Nonane nonane  
1532 C(CN)4 tetracyanomethane c5n4  
1533 C5H4N4 purine purine  
1534 C8H7N Indole indole  
1535 C3H3N3O3 cyanuric acid cyanuric  
1536 C6H5NO2 Nitrobenzene c6h5no2  
1537 C6H5COOH benzoic acid benzo  
1538 CH3COC6H5 acetophenone acph  
1539 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1540 C3F6 hexafluoropropene c3f6  
1541 C6H3F3 Benzene trifluoride 123 bzf3a  
1542 C8H18O 1-Octanol octanol  
1543 C10H8 Azulene azu  
1544 C10H8 naphthalene naph  
1545 C10H10 bullvalene bullv  
1546 C10H16 adamantane adamantane  
1547 C6N4 Tetracyanoethylene tcne  
1548 C10H22 Decane decane  
1549 C4F6 perfluorobutadiene c4f6  
1550 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1551 C3F8 perfluoropropane c3f8  
1552 Fe(CO)5 Iron pentacarbonyl ipc  
1553 Fe(C5H5)2 ferrocene fecp2  
1554 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1555 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1556 C12H8 Acenaphthylene acenaph  
1557 C12H8 biphenylene biph  
1558 C12H10 biphenyl biphenyl  
1559 C12H10 Heptalene heptalene  
1560 C6H12O6 Inositol inositol  
1561 C6F6 hexafluorobenzene c6f6  
1562 S2F10 disulphur decafluoride s2f10  
1563 C13H10 Fluorene fluorene  
1564 C14H10 Anthracene anth  
1565 C14H10 Phenanthrene phenanthrene  
1566 C14H14 Bibenzyl bibenzyl  
1567 C12H10N2 azobenzene azobenzene  
1568 C6H5COC6H5 benzophenone benzophenone  
1569 C16H10 Pyrene pyrene  
1570 C18H12 Tetracene tetracene  
1571 C19H16 Triphenylmethane tpm  
1572 C24H12 Coronene coronene  
1573 C60 Buckminsterfullerene c60