National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
IIntroduction
IIExperimental data
IIICalculated data
IVData comparisons
VCost comparisons
VIInput and output files
VIITutorials and Units
VIIILinks to other sites
IXFeedback
XOlder CCCBDB versions
XIIGeometries
XIII Vibrations
XIVReaction data
XVEntropy data
XVIBibliographic data
XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers
XXIOddities

NIST policy on privacy, security, and accessibility.
© 2013 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.

The National Institute of Standards and Technology (NIST) is an agency of the U.S. Department of Commerce.

Please send questions, comments, corrections, additions and suggestions to cccbdb@nist.gov.

return to home page

III.F.1. (I.A.4.)

List of which calculations are completed at wB97X-D /CEP-121G*

Jump to calculations not yet done
count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 H- Hydrogen atom anion 2SKh
3 H2- hydrogen diatomic anion 2Σu+D∞h
4 H2+ Hydrogen cation 2Σg+D∞h
5 He Helium atom 1SKh
6 He Helium atom   
7 He+ Helium atom cation 2SKh
8 HeH+ Helium hydride cation 1ΣC∞v
9 He2+ helium diatomic cation 2ΣuD∞h
10 Li- Lithium atom anion 1SKh
11 LiH+ lithium hydride cation 2ΣC∞v
12 MgH magnesium monohydride 2ΣC∞v
13 BeH2+ Beryllium dihydride cation   
14 MgH2 magnesium dihydride 1ΣgD∞h
15 Al Aluminum atom 2PKh
16 Al- Aluminum atom anion 3PKh
17 Al+ Aluminum atom cation 1SKh
18 BH Boron monohydride 1ΣC∞v
19 BH Boron monohydride 3ΠC∞v
20 BH3+ boron trihydride cation 2B2C2v
21 BH3+ boron trihydride cation  C2v
22 AlH3 aluminum trihydride 1A1'D3h
23 AlH3- aluminum trihydride anion  C3v
24 BH4 borohydride 2B2C2v
25 BH4- borohydride anion 1A1Td
26 C Carbon atom 3P0Kh
27 Si- Silicon atom anion 4SKh
28 CH Methylidyne 2Π1/2C∞v
29 SiH Silylidyne 2ΠC∞v
30 SiH+ silicon monohydride cation 1ΣC∞v
31 CH2- methylene anion 2B1C2v
32 CH3 Methyl radical 2A1D3h
33 SiH3 Silyl radical 2A1C3v
34 SiH3+ Silyl cation 1A1'D3h
35 CH4 Methane 1A1Td
36 CH4- Methane anion 2A1Td
37 CH4- Methane anion 2A1C3v
38 SiH2D2 silane-d2   
39 SiH4 Silane 1A1Td
40 SiH5+ Silane, protonated   
41 N Nitrogen atom 4SKh
42 P Phosphorus atom 4SKh
43 PH phosphorus monohydride 3Σ-C∞v
44 NH2 Amino radical 2B1C2v
45 NH2+ Amino cation 3B1C2v
46 NH2+ Amino cation 1A1C2v
47 NH3 Ammonia 1A1C3v
48 NH3- Ammonia anion 2A1C3v
49 PH3 Phosphine 1A1C3v
50 PH3+ Phosphine cation 2A1C3v
51 NH4 Ammonium radical   
52 NH4+ ammonium cation 1A1Td
53 PH4 Phosphoranyl radical   
54 PH4+ phosphonium cation   
55 O Oxygen atom 3SKh
56 S Sulfur atom 3PKh
57 S Sulfur atom   
58 S- Sulfur atom anion 2PKh
59 S+ Sulfur atom cation 4SKh
60 OH Hydroxyl radical 2ΠC∞v
61 OH- hydroxide anion 1ΣC∞v
62 OH+ hydoxyl cation 3ΣC∞v
63 HS- mercapto anion 1ΣC∞v
64 HS+ sulfur monohydride cation 3ΣC∞v
65 H2O Water 1A1C2v
66 H2O- water anion 2A1C2v
67 H2O- water anion 2A'Cs
68 H2O+ water cation 2B1C2v
69 HDO Water-d1 1A1C2v
70 H2S Hydrogen sulfide 1A1C2v
71 H2S+ Hydrogen sulfide cation 2B1C2v
72 H3O+ hydronium cation 1A1C3v
73 H3S+ Sulfonium cation 1A1C3v
74 F Fluorine atom 2PKh
75 F- Fluorine atom anion 1SKh
76 F+ Fluorine atom cation 3SKh
77 F+ Fluorine atom cation 1DKh
78 Cl Chlorine atom 2PKh
79 Cl- Chlorine atom anion 1SKh
80 Cl+ Chlorine atom cation 3PKh
81 Cl+ Chlorine atom cation 1DKh
82 HF Hydrogen fluoride 1ΣC∞v
83 HF- hydrogen fluoride anion 2ΣC∞v
84 HF+ hydrogen fluoride cation 2ΠC∞v
85 HCl Hydrogen chloride 1ΣC∞v
86 HCl- hydrogen chloride anion 2ΣC∞v
87 HCl+ hydrogen chloride cation 2ΠC∞v
88 H2Cl+ dihydrogen monochloride cation 1A1C2v
89 HeLi+ Helium Lithium cation   
90 NaLi lithium sodium 1ΣC∞v
91 Na2 Sodium diatomic 1ΣgD∞h
92 Na2- sodium diatomic anion 2ΣuD∞h
93 Na2+ sodium diatomic cation 2ΣgD∞h
94 BeMg Beryllium Magnesium 1ΣC∞v
95 LiAl Lithium Aluminum   
96 NaAl Sodium aluminum 1ΣC∞v
97 BAl Boron Aluminum 3ΣC∞v
98 HBBH Diborane(2) 3ΣGD∞h
99 B2H4 Diborane(4) D2d 1A1D2d
100 HBHHBH Diborane(4) C2V 1A1C2v
101 B2H6 Diborane 1AgD2h
102 B2H6+ Diborane cation   
103 BSi Boron silicide 4ΣC∞v
104 BSi Boron silicide 2ΣC∞v
105 C2H Ethynyl radical 2ΣC∞v
106 C2H- Ethynyl anion 1ΣC∞v
107 C2H2 Acetylene 1ΣgD∞h
108 C2H2+ acetylene cation 2ΠuD∞h
109 C2H2+ acetylene cation   
110 H2CC- vinylidene anion   
111 HCCH- acetylene anion   
112 HCCH- acetylene anion   
113 Si2H2 disilyne   
114 Si2H2 disilyne   
115 Si2H2 disilyne   
116 Si2H2 disilyne   
117 CH3Li methyl lithium 1A1C3v
118 CH2BH methyleneborane 1A1C2v
119 C2H3 vinyl 2A'Cs
120 C2H3- vinyl anion 1A'Cs
121 C2H3+ vinyl cation 1A1C2V bridging H
122 C2H3+ vinyl cation 1A1C2V HCCH2
123 C2H4 Ethylene 1AgD2h
124 C2H4+ Ethylene cation 2B3D2
125 Si2H4 Disilene   
126 Si2H4 Disilene   
127 Si2H4 Disilene   
128 CH3BH2 methylborane 1A'Cs
129 C2H5 Ethyl radical 2A'Cs
130 C2H6 Ethane 1A1gD3d
131 Si2H6 disilane 1EuD3d
132 LiN Lithium Nitride 3ΣC∞v
133 LiP Lithium monophosphide   
134 LiP Lithium monophosphide   
135 MgN Magnesium Nitride   
136 MgN Magnesium Nitride   
137 BP Boron monophosphide 3ΠC∞v
138 BP Boron monophosphide 1ΣC∞v
139 CN Cyano radical 2ΣC∞v
140 SiP Silicon monophosphide 2ΠC∞v
141 N2 Nitrogen diatomic 1ΣgD∞h
142 N2 Nitrogen diatomic   
143 N2- nitrogen diatomic anion 2ΠgD∞h
144 PN Phosphorus mononitride 1ΣC∞v
145 HCN Hydrogen cyanide 1ΣC∞v
146 HCN+ hydrogen cyanide cation 2ΠC∞v
147 HNC+ hydrogen isocyanide cation   
148 HCP+ Phosphaethyne cation   
149 NNH+ Dinitrogen monohydride cation 1ΣC∞v
150 LiNH2 lithium amide   
151 HBNH Boranimine 1ΣC∞v
152 H2NN Isodiazene   
153 N2H2+ trans-diazene cation 2AGC2h
154 CH2NH Methanimine 1A'Cs
155 CH2NH+ Methanimine cation   
156 CHNH2 aminomethylene   
157 CHNH2+ Aminocarbene cation   
158 BH2NH2 Boranamine   
159 CH2NH2+ methyleneamine cation 1A1C2v
160 N2H4 Hydrazine 1AC2
161 CH3NH2 methyl amine 1A'Cs
162 SiH3NH2 Silane, amino   
163 N2H5+ protonated hydrazine 1A'Cs
164 BH3PH3 borane phosphine   
165 BH3NH3 borane ammonia 1A1C3v
166 CH3NH3 methyl ammonium radical 2A1C3v
167 CH3PH3+ methyl phosphine, protonated 1A1C3v
168 N2H7+ ammonia ammonium dimer   
169 BO boron monoxide 2ΣC∞v
170 CO Carbon monoxide 1ΣC∞v
171 CO- carbon monoxide anion 2ΠC∞v
172 CO+ carbon monoxide cation 2ΣC∞v
173 SiO Silicon monoxide 1ΣC∞v
174 SiS silicon monosulfide 1ΣC∞v
175 NO Nitric oxide 2ΠC∞v
176 NO- nitric oxide anion 3ΣC∞v
177 NO+ nitric oxide cation 1ΣC∞v
178 NS Mononitrogen monosulfide 2ΠC∞v
179 PO Phosphorus monoxide 2ΠC∞v
180 PS phosphorus sulfide 2ΣC∞v
181 O2 Oxygen diatomic 3ΣgD∞h
182 O2- oxygen diatomic anion 2ΠD∞h
183 O2-- dioxygen dianion   
184 SO Sulfur monoxide 3ΣC∞v
185 SO Sulfur monoxide 1ΣC∞v
186 SO+ sulfur monoxide cation 2ΠC∞v
187 S2 Sulfur diatomic 3ΣgD∞h
188 LiOH lithium hydroxide 1ΣC∞v
189 BeOH beryllium monohydroxide 2A'Cs
190 HBO Boron hydride oxide 1ΣC∞v
191 HBS hydrogen boron sulfide 1ΣC∞v
192 COH Hydroxymethylidyne   
193 COH+ Carbon Monoxide, protonated 1ΣC∞v
194 HCO Formyl radical 2A'Cs
195 HCO- formyl anion 1A'Cs
196 HCO+ Formyl cation 1ΣC∞v
197 HNO Nitrosyl hydride 1A'Cs
198 HNO+ Nitrosyl hydride cation 2A'Cs
199 NOH Hydroxyimidogen 3A"Cs
200 NOH+ O-protonated nitric oxide 2A'Cs
201 HO2+ Hydroperoxy cation 3A"Cs
202 HSO+ Sulfur Monoxide, S-protonated   
203 SOH Sulfur Hydroxide   
204 SOH+ Sulfur Monoxide, protonated   
205 H2CO Formaldehyde 1A1C2v
206 H2CO- formaldehyde anion 2A'Cs
207 H2CO- formaldehyde anion   
208 H2CO+ formaldehyde cation 2B2C2v
209 H2CS Thioformaldehyde 1A1C2v
210 H2CS- thioformaldehyde anion   
211 H2CS- thioformaldehyde anion   
212 H2CS+ thioformaldehyde cation 2B2C2v
213 H2NO nitroxide 2B1C2v
214 H2NO nitroxide 2A'Cs
215 H2O2 Hydrogen peroxide 1AC2
216 H2O2 Hydrogen peroxide 1AgC2h
217 H2OO water oxide   
218 HOSH hydrogen thioperoxide   
219 H2S2 Disulfane 1AC2
220 H2S2+ hydrogen disulfide cation 2BgC2h
221 CH2OH+ hydroxymethyl cation 1A'Cs
222 CH3O- methoxy anion 1A1C3v
223 CH3O+ Methoxy cation 3A1C3v
224 H2CSH+ Thioformaldehyde, protonated 1A'Cs
225 NH2OH hydroxylamine 1A'Cs
226 NH2OH+ Hydroxylamine cation   
227 NH2SH Thiohydroxylamine   
228 NH2SH Thiohydroxylamine   
229 NH3S sulfidoazane   
230 CH3OH Methyl alcohol 1A'Cs
231 CH3OH+ Methyl alcohol cation 2A"Cs
232 CH3SH Methanethiol 1A'Cs
233 CH3SH+ Methanethiol cation 2A"Cs
234 SiH3OH silanol   
235 NH2OH2+ protonated hydroxylamine   
236 NH3OH+ N-protonated hydroxylamine   
237 H2OH2O water dimer 1A'Cs
238 CH3SH2+ protonated methylsulfide 1A'Cs
239 H5O2+ Dihydroxonium ion 1AC2
240 LiF lithium fluoride 1ΣC∞v
241 LiCl lithium chloride 1ΣC∞v
242 NaF+ sodium fluoride cation 2ΣC∞v
243 LiF+ lithium fluoride cation 2ΠC∞v
244 BF Boron monofluoride 1ΣC∞v
245 AlF Aluminum monofluoride 1Σ+C∞v
246 CF Fluoromethylidyne 2ΠC∞v
247 SiF silicon monofluoride 2ΠC∞v
248 SiF+ silicon monofluoride cation 1ΣC∞v
249 SiCl Clorosilylidyne 2ΠC∞v
250 NCl nitrogen monochloride 3ΣC∞v
251 FO Oxygen monofluoride 2ΠC∞v
252 ClO Monochlorine monoxide 2ΠC∞v
253 ClO+ chlorine monoxide cation 3ΣC∞v
254 SF Monosulfur monofluoride 2ΠC∞v
255 SF+ sulfur monofluoride cation 3ΣC∞v
256 F2 Fluorine diatomic 1ΣgD∞h
257 F2- flourine diatomic anion 2ΣuD∞h
258 F2+ flourine diatomic cation 2ΠgD∞h
259 ClF Chlorine monofluoride 1Σ+C∞v
260 ClF+ clorine monofluoride cation 2ΠC∞v
261 Cl2+ chlorine diatomic cation 2ΠgD∞h
262 HCF Fluoromethylene 1A'Cs
263 HCF Fluoromethylene 3A"Cs
264 HSiF fluorosilylene   
265 HSiCl Chlorosilylene   
266 HOF Hypofluorous acid 1A'Cs
267 HOCl hypochlorous acid 1A'Cs
268 HOCl+ hypochlorous acid cation   
269 F2H+ Fluorine, protonated 1A'Cs
270 ClFH+ Chlorine fluoride, F-protonated   
271 FClH+ Chlorine fluoride, Cl-protonated   
272 Cl2H+ Chlorine, protonated 1A'Cs
273 CH2F fluoromethyl radical 2ACs
274 CH2F+ fluoromethyl cation   
275 CH2Cl+ chloromethyl cation   
276 CH2Cl chloromethyl radical 2A'Cs
277 CH2Cl chloromethyl radical 2B1C2v
278 NH2Cl chloramine 1A'Cs
279 CH3F+ methyl fluoride cation   
280 CH3F Methyl fluoride 1A1C3v
281 CH3Cl Methyl chloride 1A1C3v
282 CH3Cl+ Methyl chloride cation   
283 SiH3F monofluorosilane 1A1C3v
284 SiH3Cl chlorosilane 1A1C1
285 GeH3Cl monochlorogermane   
286 NH3Cl+ protonated monochloroammonia   
287 CH3ClH+ methyl chloride, protonated   
288 NH4Cl Ammonium chloride   
289 C3 carbon trimer 1ΣgD∞h
290 C3 carbon trimer 1A1C2v
291 SiC2 Silicon dicarbide   
292 C3H4 cyclopropene 1A1C2v
293 CH2CCH2 allene 1A1D2d
294 CH3CCH propyne 1A'C3v
295 C3H6 Cyclopropane 1A1'D3h
296 CH2CHCH3 Propene 1A'Cs
297 C3H7 n-Propyl radical 2A"C1
298 C3H7+ cyclopropane, protonated   
299 CH3CHCH3 Isopropyl radical 2AC2
300 CH3CHCH3+ Isopropyl cation 1AC2
301 C3H8 Propane 1A1C2v
302 Si3H8 trisilane   
303 LiCN lithium cyanide 1ΣC*V LiCN
304 AlCN Aluminum monocyanide   
305 AlNC Aluminum isocyanide   
306 CNN Diazocarbene   
307 N3 azide radical 2ΠgD∞h
308 N3+ azide cation 3ΣgD∞h
309 N3+ azide cation 3ΣC∞v
310 HN3 hydrogen azide 1A'Cs
311 HN3+ Hydrazoic acid cation   
312 HNCNH diiminomethane 1AC2
313 HNNNH+ 1,2-Triazadienium   
314 NH2NN+ hydrazoic acid, protonated   
315 CH3CN Acetonitrile 1A1C3v
316 CH3CN- acetonitrile anion 2EC3v
317 CH3CN- acetonitrile anion 2A'Cs
318 CHNCH2 2H-Azirine   
319 CHNHCH 1H-Azirine   
320 H2CCNH Ethenimine   
321 H2CNCH methyleneaminomethylene   
322 HCCNH2 Ethynamine   
323 HCNCH2+ 2H-Azirine cation   
324 HNCNH2+ diiminomethane, protonated 1A'Cs
325 NCNH3+ Cyanamide, protonated 1A1C3v
326 NH2CNH+ cyanamide, cn protonated   
327 NH3CN+ cyanamide, amine protonated   
328 C2H5NH+ Protonated Aziridine 1A1C2v
329 C2H6N+ aziridine, protonated 1A1C2v
330 CH3CH2NH2 Ethylamine   
331 CH3PHCH3 dimethylphosphine 1A'Cs
332 (CH3)2NH2+ dimethylammonium cation 1A1C2v
333 CH3CH2NH3+ ethylamine, protonated 1A'Cs
334 Li2O dilithium oxide 1ΣgD∞h
335 Na2O disodium monoxide 1ΣgLinear
336 Na2O disodium monoxide 1A1C2v
337 Na2S Sodium sulfide   
338 Na2S Sodium sulfide   
339 LiO2 Lithium dioxide   
340 NaO2 Sodium superoxide   
341 NCO isocyanato radical 2ΠC∞v
342 N2O Nitrous oxide 1ΣC∞v
343 N2O- Nitrous oxide anion 2A'Cs
344 CO2 Carbon dioxide 1ΣgD∞h
345 OCS Carbonyl sulfide 1ΣC∞v
346 CS2 Carbon disulfide 1ΣgD∞h
347 NO2 Nitrogen dioxide 2A1C2v
348 NO2+ Nitrogen dioxide cation 1ΣGD∞h
349 NSO sulfinyl amidogen   
350 SNO Nitrogen oxide sulfide   
351 O3 Ozone 1A1Cs
352 SO2 Sulfur dioxide 1A1C2v
353 SSO Disulfur monoxide 1A'Cs
354 S3 Sulfur trimer 1A1C2v
355 S3 Sulfur trimer   
356 HCCO ketenyl radical 2ΠC∞v
357 HCCO ketenyl radical 2A"Cs
358 HCNO fulminic acid 1ΣC∞v
359 HNCS Isothiocyanic acid   
360 HNCS Isothiocyanic acid   
361 HSCN thiocyanic acid 1A'Cs
362 HNNO+ Nitrous oxide, N-protonated 1A'Cs
363 NNOH+ Nitrous Oxide, O-protonated 1A'Cs
364 HOCO Hydrocarboxyl radical 1A'cis
365 HOCO Hydrocarboxyl radical 1A'trans
366 O3H+ protonated ozone 1A'Cs
367 O3H+ protonated ozone   
368 SO2H+ protonated sulfur dioxide 1A'Cs
369 C2H2O Oxirene 1A1C2v
370 CH2CO Ketene 1A1C2v
371 CH2CS Thioketene   
372 Be(OH)2 Beryllium hydroxide   
373 Be(OH)2 Beryllium hydroxide   
374 Be(OH)2 Beryllium hydroxide   
375 H2COO Dioxymethyl radical 2A'Cs
376 H2COO+ dioxymethyl cation 2A'Cs
377 HCOOH Formic acid 1A'Cs
378 HCOOH Formic acid   
379 CH2BOH hydroxy(methylene)borane 1A'Cs
380 BH3CO Borane carbonyl 1A1C3v
381 CH3BO Borane, methyloxo- 1A1C3v
382 CH2COH+ ketene, protonated   
383 CH2NOH formaldoxime 1A'Cs
384 CH3NO nitrosomethane 1A'Cs
385 CNOH3 1,2-oxaziridine 1AC1
386 HOCHNH hydroxymethylimine 1A'CS H all up
387 CHSNH2 thioformamide   
388 NHCHSH Methanimidothioic acid   
389 C2H4O Ethylene oxide 1A1C2v
390 C2H4O+ ethylene oxide cation   
391 CH3CHO Acetaldehyde 1A'Cs
392 CH3CHO+ acetaldehyde cation   
393 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
394 C2H4S Thiirane 1A1C2v
395 CH2CHSH Ethenethiol   
396 CH3CHS Thioacetaldehyde 1A'C1
397 NH2CHOH+ Formamide, O-protonated   
398 CH3SSH Hydrogen methyl disulfide   
399 HSCH2SH Methanedithiol   
400 C2H4OH+ ethylene oxide, protonated 1A'Cs
401 CH3CHOH 1-hydroxy-ethyl radical 2AC1
402 CH3CHOH+ acetaldehyde, protonated 1A'Cs
403 NH2CH2OH aminomethanol   
404 CH3CH2OH Ethanol 1A'Cs
405 CH3OCH3 Dimethyl ether 1A1C2v
406 CH3CH2SH ethanethiol 1A'Cs
407 CH3CH2SH ethanethiol 1AC1
408 CH3SCH3 Dimethyl sulfide 1A1C2v
409 CH3SCH3+ dimethyl sulfide cation   
410 CNF iso cyanogen fluoride 1ΣC∞v
411 FBO Boron monofluoride monoxide   
412 BF2 Boron difluoride radical 2A1C2v
413 FNO Nitrosyl fluoride 1A'Cs
414 ClNO Nitrosyl chloride 1A'Cs
415 FNS Thionitrosyl fluoride 1A'Cs
416 FSN Thiazyl fluoride 1A'Cs
417 OPCl Phosphorus oxychloride   
418 CF2 Difluoromethylene 1A1D∞h
419 CFCl chlorofluoromethylene 1A'Cs
420 SiF2 Silicon difluoride 1A1C2v
421 SiF2+ Silicon difluoride cation 2A1C2v
422 FOO+ Fluorine dioxide cation   
423 OClO Chlorine dioxide 2B1D∞h
424 OClO- Chlorine dioxide anion 1A'Cs
425 ClSO Sulfur chloride oxide 2A"Cs
426 PF2 Phosphorus difluoride   
427 PF2+ Phosphorus difluoride cation   
428 FClO chlorosyl fluoride 1A'Cs
429 ClOF Chlorine hypofluorite 1A'Cs
430 SF2 sulfur difluoride 1A1C2v
431 SFCl Sulfur chloride fluoride   
432 HCCF Fluoroacetylene 1ΣC∞v
433 CHCl2 dichloromethyl radical 2B1C2v
434 CHCl2 dichloromethyl radical 2A'Cs
435 CHF2 difluoromethyl radical 2ACs
436 CHF2+ difluoromethyl cation   
437 CHFCl Chlorofluoromethyl radical   
438 CHFCl+ Chlorofluoromethyl cation   
439 CHCl2+ dichloromethyl cation   
440 NHF2 difluoramine   
441 NHCl2 dichloroamine   
442 CH2F2 Methane, difluoro- 1A1C2v
443 SiH2F2 difluorosilane   
444 CH2Cl2 Methylene chloride 1A1C2v
445 SiH2Cl2 dichlorosilane 1A1C2v
446 CH2CHF Ethene, fluoro- 1A'Cs
447 CH2FOH fluoromethanol   
448 CH2CH2Cl 2-chloroethyl radical 2A'Cs
449 CHClCH3 1-chloroethyl radical 2AC1
450 C4 Carbon tetramer 3ΣgD∞h
451 C4 Carbon tetramer   
452 C4H2+ diacetlyene cation 2ΠgD∞h
453 C4H4 Tetrahedrane   
454 C4H6 1-Methylcyclopropene 1AC1
455 CH2CHCH2CH3 1-Butene 1AC1
456 CH3CH2CH2CH3 Butane 1AgAnti
457 CH3CH2CH2CH3 Butane 1AGauche
458 C2N2 Cyanogen 1ΣgD∞h
459 HCCCN+ Cyanoacetylene cation 2ΠC∞v
460 H2CNCN cyanamide, methylene   
461 HNCCNH Ethenediimine   
462 CH3N3 methyl azide 1A'Cs
463 NH2CCNH2 Diaminoacetylene 1AC2
464 NH2CCNH2 Diaminoacetylene 1A1D2d
465 NH2CH2CN Aminoacetonitrile 1A'Cs
466 CH3NHN2+ methyl azide, protonated 1AC1
467 C2H5CN ethyl cyanide 1A'Cs
468 C4H6 Bicyclo[1.1.0]butane 1A1C2v
469 H2NCHCHNH2 diaminoethylene   
470 CH7N3 triaminomethane   
471 C4H8 cyclobutane 1A1D2d
472 NH2CH2CH2CH3 1-Propanamine 1A'Cs
473 N(SiH3)3 trisilylamine   
474 (CH3)3NH+ protonated trimethyl amine   
475 C3H7NH3+ n-propylamine, protonated 1A'Cs
476 C3O Tricarbon monoxide 1ΣC∞v
477 ONNO NO dimer 1Agtrans C2H
478 ONNO NO dimer 1A1cis C2V
479 S2N2 Disulfur dinitride 1AGD2h
480 CS3-- Carbonotrithioate   
481 NO3- nitrate anion 1A1'D3h
482 SO3 Sulfur trioxide 1A1'D3h
483 SO3-- Sulfate dianion   
484 S4 Sulfur tetramer   
485 S4 Sulfur tetramer   
486 S4 Sulfur tetramer   
487 HNO3 Nitric acid 1A'Cs
488 NH2NO2 nitramide 1A'Cs
489 C3H2O Propadienal   
490 C3H2O Propadienal   
491 C2H2O2 Ethanedial 1AgC2h
492 C2H3NO Nitrosoethylene   
493 CH3NCO methylisocyante   
494 HOCH2CN cyanomethanol   
495 CH3NO2 Methane, nitro- 1A'Cs
496 H3AlO3 Aluminum hydroxide   
497 CH2CHCHO Acrolein 1A'Cs
498 CH2CHCHO Acrolein   
499 NH2CONH2 Urea 1A1C2v
500 NH2COOH2+ Carbamic acid, O-protonated 1AC1
501 NH3COOH+ protonated Carbamic acid 1A'Cs
502 CH2C(OH)NH2 1-amino vinyl alchohol   
503 CH3C(OH)=NH Ethaninidic acid   
504 CH3CHNOH Acetaldoxime 1A'CS cis
505 HCONHCH3 N-methylformamide 1A'CS cis
506 HCONHCH3 N-methylformamide 1A'CS trans
507 CH3CSNH2 Ethanethioamide   
508 CH5N2O+ urea, N-protonated 1A'Cs
509 H2NCOHNH2+ urea, protonated 1A'Cs
510 C3H5OH Cyclopropanol 1AC1
511 C3H6O Acetone enol 1A'Cs
512 CH3CH2CHO Propanal 1A'Cs
513 CH3COCH3 Acetone 1A1C2v
514 CH3SOCH3 Dimethyl sulfoxide 1A'Cs
515 C3H7OH 1-Propanol   
516 Li2F2 Lithium fluoride dimer   
517 FNO2 Nitryl fluoride 1A1C2v
518 FONO Nitrosyl hypofluorite 1A'CS cis
519 ClONO chlorine nitrite 1A'CS cis
520 CF2O Carbonic difluoride 1A1C2v
521 CF2O+ Carbonic difluoride cation   
522 BF3+ boron trifluoride cation   
523 BClF2 Chlorodifluoroborane   
524 BCl3 Borane, trichloro- 1A1'D3h
525 BCl3+ Boron Trichloride cation   
526 CF2Cl difluorochloromethyl radical   
527 SiF3 Silicon trifluoride radical 2A1C3v
528 SiF3+ Silicon trifluoride cation 1A1'D3h
529 CFCl2 dichlorofluoromethyl radical   
530 ClO2F Chloryl fluoride 1A'Cs
531 ClOOCl Dichlorine dioxide 1AC2
532 SSCl2 Thiothionyl chloride   
533 NF3 Nitrogen trifluoride 1A1C3v
534 NCl3 nitrogen trichloride 1A1C3v
535 ClF3 Chlorine trifluoride 1A1'D3h
536 ClF3 Chlorine trifluoride 1A1C2v
537 HClO3 Chloric Acid 1A'Cs
538 HClO3 Chloric Acid 1AC1
539 CHF3 Methane, trifluoro- 1A1C3v
540 SiHF3 trifluorosilane   
541 CHCl3 Chloroform 1A1C3v
542 NF3H+ protonated nitrogen trifluoride 1A1C3v
543 C2H2ClF 1-chloro-1-fluoroethylene 1A'Cs
544 CHFCHCl (E)-1-chloro-2-fluoroethene 1A'Cs
545 CHFCHClz (Z)-1-Chloro-2-fluoroethene 1A'Cs
546 C2H4F2 1,2-difluoroethane 1AgC2H anti
547 C2H4F2 1,2-difluoroethane 1AC2 gauche
548 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
549 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1A'Cs
550 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1AC1
551 CH2CHCH2F Allyl Fluoride   
552 CH2CHCH2F Allyl Fluoride   
553 CH3CHCHF trans-1-Fluoro-1-propene   
554 CH2FCH2OH 2-fluoroethanol   
555 CH2ClCH2OH 2-Chloroethanol 1A'Cs
556 CH2ClCH2OH2+ 2-chloroethanol, protonated 1AC1
557 CH2FCH2CH3 1-Fluoropropane 1A'Cs
558 CH2FCH2CH3 1-Fluoropropane   
559 CH3CHFCH3 2-Fluoropropane 1A'Cs
560 CH3CHClCH3 Propane, 2-chloro- 1A'Cs
561 B5H9 pentaborane9   
562 C5H4 pentatetraene   
563 C5H6 Propellane 1A1D3h
564 C5H8 Bicyclo[1.1.1]pentane   
565 C3H4N2 1H-Imidazole 1A'Cs
566 C3H4N2 2H-Imidazole 1A1C2v
567 C3H4N2 4H-Imidazole 1A'Cs
568 C4H5N Pyrrole 1A1C2v
569 C4H6N+ pyrrole, alpha-protonated 1A'Cs
570 C4H6N+ pyrrole, beta-protonated 1A'Cs
571 C4H6N+ pyrrole, protonated 1A1C2v
572 NH(C2H5)2 diethylamine 1A'Cs
573 C3O2 Carbon suboxide 1ΣGD∞h
574 B2O3 diboron trioxide   
575 B2O3 diboron trioxide   
576 MgCO3 Magnesium Carbonate 1A1C2v
577 BeCO3 Beryllium Carbonate 1A1C2v
578 CHOOCHO diformyl ether   
579 C3H3NO Isoxazole 1A'Cs
580 C3H3NS Thiazole   
581 C4H4O Furan 1A1C2
582 CH3COCCH 3-butyn-2-one 1A'Cs
583 CH3OCH2CN Methoxyacetonitrile 1A'Cs
584 CH3OCH2CN Methoxyacetonitrile 1AC1
585 CH3SO2NH2 methanesulfonamide 1A'Cs
586 CH2CHSCHCH2 Divinyl sulfide   
587 HCOOC2H5 Ethyl formate 1A'Cs
588 C2H6O2S Dimethyl sulfone 1A1C2v
589 C4H8S Thiophene, tetrahydro- 1AC1
590 C4H10O Ethoxy ethane 1A1C2v
591 C4H10O Methyl propyl ether 1AC1
592 C(CH3)3SH 2-Propanethiol, 2-methyl- 1A'Cs
593 C4H9SH 1-Butanethiol   
594 CF3Cl Methane, chlorotrifluoro- 1A1C3v
595 CF2Cl2 difluorodichloromethane 1A1C2v
596 CCl4 Carbon tetrachloride 1A1Td
597 ClOF3 Chlorine trifluoride oxide 1A'Cs
598 SF4 Sulfur tetrafluoride 1A1C2v
599 SCl4 Sulfur tetrachloride   
600 CH2ClCCCl 1,3-dichloropropyne   
601 CHCl2CCH 3,3-dichloropropyne   
602 CHCl2CHO dichloroacetaldehyde   
603 CHF2CH2F Ethane, 1,1,2-trifluoro 1AC1
604 CHF2CH2F Ethane, 1,1,2-trifluoro 1A'Cs
605 CH2CClCHCH2 1,3-Butadiene, 2-chloro-   
606 CH2FCH2CH2F 1,3-difluoropropane   
607 CH3CCl2CH3 Propane, 2,2-dichloro- 1A1C2v
608 CH2ClCHCHCH3 2-Butene, 1-chloro- 1AC1
609 C2H2N2O Furazan   
610 NH3BF3 Amminetrifluoroboron 1A1C3v
611 C6H6 Prismane   
612 C6H6 1,2,4,5-Hexatetraene 1AgC2h
613 C6H6 Benzene 1A1gD6h
614 C6H6 Benzvalene 1A1C2v
615 C6H6 Dewar Benzene   
616 C6H6 Hexa-1,5-diene-3-yne 1AgC2h
617 C6H7+ benzene, protonated 1A1C2v
618 C6H10 3-Hexyne 1A1C2v
619 N3P3 1,3,5,2,4,6-Triazatriphosphorine   
620 MgSO4 Magnesium Sulfate 1A1C2v
621 N2O4 Dinitrogen tetroxide 1AgD2d
622 C3H2O3 vinylene carbonate   
623 C2H2O4 Oxalic Acid 1AgC2h
624 C2H4N2S2 Ethanedithioamide 1AGC2h
625 C2H4O4 Formic acid dimer 1AGC2h
626 C5H6O 2H-Pyran   
627 C5H6O Pentadienal   
628 C4H6O2 γ–Butyrolactone 1AC1
629 C3H6O3 1,3,5-Trioxane 1A1C1
630 C3H6S3 1,3,5-Trithiane 1A1C3v
631 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- 1AC2
632 C4H8O2 Ethyl acetate 1A'Cs
633 C5H10O 3-Pentanone 1A1C2v
634 C4F2 difluorobutadiyne   
635 ClCOClCO Oxalyl chloride 1AGC2h
636 C2ClF3 Ethene, chlorotrifluoro-   
637 CF2CCl2 difluorodichloroethylene 1A1C2v
638 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene 1AGC2h
639 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene 1A1C2v
640 SiF5- silicon pentafluoride anion   
641 SOF4 Sulfur tetrafluoride oxide 1A1C2v
642 PF5 Phosphorus pentafluoride 1A1'D3h
643 SF5+ pentafluoro sulfur cation 1A1'D3h
644 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- 1AGCi
645 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR 1AC2
646 CH2ClCCl3 1,1,1,2-tetrachloroethane   
647 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-   
648 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 1A'Cs
649 C4H3ClO Furan, 2-chloro 1A'Cs
650 C4H3ClO Furan,3-chloro 1A'Cs
651 C4H8O2 Butanoic acid 1AC1
652 C7H7 cycloheptatrienyl radical 2A2C2v
653 C7H7+ cycloheptatrienyl cation 1A1'D7h
654 CH(CN)3 tricyanomethane   
655 HN=C=C(CN)2 Dicyanoketenimine   
656 C5H4O2 furfural 1A'OCCO cis
657 C5H4O2 furfural 1A'OCCO trans
658 C7H10 Norbornene   
659 C6H12O Oxepane   
660 F2CCCF2 tetrafluoroallene   
661 CF3COO- trifluoro acetate anion 1A'Cs
662 CF3COF trifluoroacetyl fluoride 1A'Cs
663 PF6 Hexafluorophosphate neutral 2B2C2v
664 SF6 Sulfur Hexafluoride 1A1GOh
665 CF3CHF2 pentafluoroethane 1A'Cs
666 C8H8 cubane 1A1GOh
667 S4N4 Tetrasulfur tetranitride   
668 C6H5CHO benzaldehyde 1A'Cs
669 C2Cl6 hexachloroethane 1A1gD3d
670 C6H4F2 1,4-difluorobenzene 1AgD2h
671 C6H4Cl2 1,2-dichlorobenzene 1A1C2v
672 C6H4Cl2 1,4-dichlorobenzene   
673 C6H5NO nitrosobenzene 1A'Cs
674 C9H20 Nonane 1A1C2v
675 C3F6 hexafluoropropene   
676 C8H18O 1-Octanol   
677 C10H8 naphthalene 1AgD2h
678 C10H10 bullvalene   
679 B12H12-- Dodecahydrododecaborate(2-)   
680 C12H8 biphenylene 1AgD2h
681 S2F10 disulphur decafluoride   
682 C13H10 Fluorene   
683 C14H14 Bibenzyl 1AC2
684 C6H5COC6H5 benzophenone 1AC2
685 C19H16 Triphenylmethane 1AC3

Species NOT done yet
count Species Name file name problem
1 D Deuterium atom d  
2 D- Deuterium atom anion d-  
3 D+ Deuterium atom cation d+  
4 H+ Hydrogen atom cation h+  
5 D2 Deuterium diatomic d2  
6 H2 Hydrogen diatomic h2  
7 HD Deuterium hydride hd  
8 H3+ hydrogen trimer cation h3+  
9 He- Helium atom anion he-  
10 HeH Helium hydride heh  
11 Li Lithium atom li  
12 Li+ Lithium atom cation li+  
13 Na Sodium atom na  
14 Na- Sodium atom anion na-  
15 Na+ Sodium atom cation na+  
16 K Potassium atom k  
17 K- Potassium atom anion k-  
18 K+ Potassium atom cation k+  
19 Cu Copper atom cu  
20 Cu- Copper atom anion cu-  
21 Cu+ Copper atom cation cu+  
22 LiH Lithium Hydride lih  
23 LiH- lithium hydride anion lih-  
24 NaH sodium hydride nah  
25 NaH- sodium hydride anion nah-  
26 NaH+ sodium hydride cation nah+  
27 KH Potassium hydride kh  
28 KH+ Potassium hydrogen cation kh+  
29 CuH Copper monohydride cuh  
30 Be Beryllium atom be  
31 Be- Beryllium atom anion be-  
32 Be+ Beryllium atom cation be+  
33 Mg Magnesium atom mg  
34 Mg- Magnesium atom anion mg-  
35 Mg+ Magnesium atom cation mg+  
36 Ca Calcium atom ca  
37 Ca- Calcium atom anion ca-  
38 Ca+ Calcium atom cation ca+  
39 Zn Zinc atom zn  
40 Zn- Zinc atom anion zn-  
41 Zn+ Zinc atom cation zn+  
42 BeH beryllium monohydride beh  
43 BeH- berylium monohydride anion beh-  
44 BeH+ beryllium monohydride cation beh+  
45 MgH- magnesium monohydride anion mgh-  
46 MgH+ magnesium monohydride cation mgh+  
47 CaH Calcium monohydride cah  
48 CaH+ Calcium monohydride cation cah+  
49 TiH Titanium monohydride tih  
50 ZnH Zinc monohydride znh  
51 ZnH+ Zinc, protonated znh+  
52 BeH2 beryllium dihydride beh2  
53 CaH2 Calcium Hydride cah2  
54 ZnH2 Zinc hydride znh2  
55 B Boron atom b  
56 B- Boron atom anion b-  
57 B+ Boron atom cation b+  
58 Sc Scandium atom sc  
59 Sc+ Scandium cation sc+  
60 Ga Gallium atom ga  
61 Ga- Gallium atom anion ga-  
62 Ga+ Gallium atom cation ga+  
63 BH- boron monohydride anion bh-  
64 BH+ boron monohydride cation bh+  
65 AlH aluminum monohydride alh  
66 AlH- aluminum monohydride anion alh-  
67 AlH+ aluminum monohydride cation alh+  
68 ScH Scandium monohydride sch  
69 ScH+ Scandium monohydride cation sch+  
70 GaH Gallium monohydride gah  
71 GaH+ Gallium monohydride cation gah+  
72 BH2 boron dihydride bh2  
73 BH2- boron dihydride anion bh2-  
74 BH2+ Boron dihydride cation bh2+  
75 AlH2 aluminum dihydride alh2  
76 AlH2- aluminum dihydride anion alh2-  
77 AlH2+ aluminum dihydride cation alh2+  
78 BH3 boron trihydride bh3  
79 BH3- boron trihydride anion bh3-  
80 AlH3+ aluminum trihydride cation alh3+  
81 ScH3 Scandium trihydride sch3  
82 GaH3 Gallium trihydride gah3  
83 AlH4- Aluminum tetrahydride anion alh4-  
84 C- Carbon atom anion c-  
85 C+ Carbon atom cation c+  
86 Si Silicon atom si  
87 Si+ Silicon atom cation si+  
88 Ti Titanium atom ti  
89 Ti- Titanium atom anion ti-  
90 Ti+ Titanium atom cation ti+  
91 Ge Germanium atom ge  
92 Ge- Germanium anion ge-  
93 Ge+ Germanium cation ge+  
94 Sn Tin atom sn  
95 Sn+ Tin cation sn+  
96 CH- methylidyne anion ch-  
97 CH+ Methylidyne cation ch+  
98 SiH- silicon monohydride anion sih-  
99 GeH germylidene geh  
100 GeH+ Germaniun monohyrdide cation geh+  
101 CH2 Methylene ch2  
102 CH2+ methylene cation ch2+  
103 SiH2 silicon dihydride sih2  
104 SiH2- silicon dihydride anion sih2-  
105 SiH2+ silicon dihydride cation sih2+  
106 GeH2 germylene geh2  
107 GeH2- germylene anion geh2-  
108 CH3- methyl anion ch3-  
109 CH3+ methyl cation ch3+  
110 SiH3- Silyl anion sih3-  
111 GeH3 Germyl radical geh3  
112 GeH3+ germyl cation geh3+  
113 CD4 methane-d4 cd4  
114 CH2D2 methane-d2 ch2d2  
115 CH3D methane-d ch3d  
116 CH4+ Methane cation ch4+  
117 CHD3 methane-d3 chd3  
118 SiH4+ Silane cation sih4+  
119 GeH4 Germane geh4  
120 SnH4 Stannane snh4  
121 N- Nitrogen atom anion n-  
122 N+ Nitrogen atom cation n+  
123 P- Phosphorus atom anion p-  
124 P+ Phosphorus atom cation p+  
125 V Vanadium atom v  
126 V+ Vanadium atom cation v+  
127 As Arsenic atomic as  
128 As- Arsenic anion as-  
129 As+ Arsenic cation as+  
130 Sb Antimony atom sb  
131 NH Imidogen nh  
132 NH- Imidogen anion nh-  
133 NH+ imidogen cation nh+  
134 PH- phosphorus monohydride anion ph-  
135 PH+ phosphorus monohydride cation ph+  
136 AsH Arsenic monohydride ash  
137 AsH+ Arsenic monohydride cation ash+  
138 SbH Antimony monohydride sbh  
139 ND2 Amidogen-d2 nd2  
140 NH2- amino anion nh2-  
141 PH2 Phosphino radical ph2  
142 PH2- Phosphino anion ph2-  
143 PH2+ Phosphino cation ph2+  
144 AsH2 Arsenic dihydride ash2  
145 AsH2+ Arsenic dihydride cation ash2+  
146 ND3 Ammonia-d3 nd3  
147 NH3+ ammonia cation nh3+  
148 AsH3 Arsine ash3  
149 AsH3+ Arsine cation ash3+  
150 SbH3 Stibine sbh3  
151 AsH4+ Arsonium ash4+  
152 O- Oxygen atom anion o-  
153 O+ Oxygen atom cation o+  
154 Cr Chromium atom cr  
155 Se Selenium atom se  
156 Se- Selenium atom anion se-  
157 Se+ Selenium atom cation se+  
158 Te Tellurium atom te  
159 Te+ Tellurium atom cation te+  
160 DO Hydroxyl-d od  
161 DS Mercapto-d ds  
162 HS Mercapto radical hs  
163 CrH Chromium hydride crh  
164 CrH+ Chromium hydride cation crh+  
165 HSe Selenium monohydride hse  
166 HSe- selenium monohydride anion hse-  
167 HSe+ selenium monohydride cation hse+  
168 TeH Telluryl radical teh  
169 D2O Deuterium oxide d2o  
170 D2S Hydrogen sulfide-d2 d2s  
171 H2S- Hydrogen sulfide anion h2s-  
172 H2Se Hydrogen selenide h2se  
173 H2Se+ Hydrogen selenide cation h2se+  
174 H2Te Hydrogen Telluride h2te  
175 H3Se+ Hydrogen Selenide, protonated h3se+  
176 Mn Manganese atom mn  
177 Br Bromine atom br  
178 Br- Bromine atom anion br-  
179 Br+ Bromine atom cation br+  
180 I Iodine atom iodine  
181 I- Iodine atom anion iodine-  
182 I+ Iodine atom cation iodine+  
183 DF Hydrofluoric acid-d df  
184 DCl Hydrochloric acid-d dcl  
185 HBr hydrogen bromide hbr  
186 HBr- hydrogen bromide anion hbr-  
187 HBr+ hydrogen bromide cation hbr+  
188 HI Hydrogen iodide hi  
189 HI+ Hydrogen iodide cation hi+  
190 H2F+ dihydrogen fluoride cation h2f+  
191 H2Br+ protonated hydrogen bromide h2br+  
192 H2I+ Iodonium h2i+  
193 Ne Neon atom ne  
194 Ne- Neon atom anion ne-  
195 Ne+ Neon atom cation ne+  
196 Ar Argon atom ar  
197 Ar- Argon atom anion ar-  
198 Ar+ Argon atom cation ar+  
199 Fe Iron atom fe  
200 Kr Krypton atom kr  
201 Kr+ Krypton cation kr+  
202 Xe Xenon atom xe  
203 NeH neon hydrogen neh  
204 NeH+ neon hydrogen cation neh+  
205 ArH+ Argon hydride cation arh+  
206 KrH+ Protonated Krypton krh+  
207 XeH+ Xenon, protonated xeh+  
208 H2Ar H2 Ar dimer h2ar  
209 Co Cobalt atom cobalt  
210 Ni Nickel atom ni  
211 Li2 Lithium diatomic li2  
212 Li2- lithium diatomic anion li2-  
213 Li2+ lithium diatomic cation li2+  
214 NaLi- lithium sodium anion lina-  
215 NaLi+ lithium sodium cation lina+  
216 LiK Lithium Potassium lik  
217 NaK Sodium Potassium nak  
218 NaK+ Sodium Potassium diatomic cation nak+  
219 K2 Potassium diatomic k2  
220 Cu2 Copper diatomic cu2  
221 LiBe Lithium Beryllium libe  
222 LiMg Lithium magnesium limg  
223 NaBe Sodium Beryllium nabe  
224 NaMg Sodium Magnesium namg  
225 Be2 Beryllium diatomic be2  
226 Be2- Beryllium diatomic anion be2-  
227 Be2+ Beryllium diatomic cation be2+  
228 Mg2 Magnesium diatomic mg2  
229 Mg2- magnesium diatomic anion mg2-  
230 Mg2+ magnesium diatomic cation mg2+  
231 Ca2 Calcium diatomic ca2  
232 LiB Lithium boride lib  
233 BeB Beryllium monoboride beb  
234 B2 Boron diatomic b2  
235 B2- Boron diatomic anion b2-  
236 B2+ Boron diatomic cation b2+  
237 Al2 Aluminum diatomic al2  
238 Al2- aluminum diatomic anion al2-  
239 Al2+ aluminum diatomic cation al2+  
240 BGa Boron Gallium bga  
241 AlGa Aluminum Gallium alga  
242 Ga2 Gallium diatomic ga2  
243 LiBH4 Lithium borohydride libh4  
244 Al2H6 dialane al2h6  
245 Ga2H6 digallane ga2h6  
246 LiC Lithium Carbide lic  
247 BeC Beryllium Carbide bec  
248 CaC Calcium monocarbide cac  
249 BC boron monocarbide bc  
250 BC- boron monocarbide anion bc-  
251 BC+ boron monocarbide cation bc+  
252 AlC Aluminum carbide alc  
253 C2 Carbon diatomic c2  
254 C2- carbon diatomic anion c2-  
255 C2+ carbon diatomic cation c2+  
256 SiC silicon monocarbide sic  
257 SiC- silicon monocarbide anion sic-  
258 SiC+ silicon monocarbide cation sic+  
259 Si2 Silicon diatomic si2  
260 Si2- silcon diatomic anion si2-  
261 Si2+ silcon diatomic cation si2+  
262 GeC Germanium monocarbide gec  
263 SiGe Silicon Germanium sige  
264 Ge2 Germanium diatomic ge2  
265 C2H+ Ethynyl cation c2h+  
266 ZnCH2 Zinc methylene znch2  
267 CCH2 vinylidene vinylidene  
268 CuCH3 monomethyl copper cuch3  
269 ZnCH3 Zinc monomethyl znch3  
270 C2H4- Ethylene anion c2h4-  
271 CH3CH methylmethylene ch3ch  
272 CH2SiH2 silaethylene ch2sih2  
273 C2H5- Ethyl anion c2h5-  
274 C2H5+ Ethyl cation c2h5+  
275 C2H6+ ethane cation c2h6+  
276 CH3SiH3 methyl silane ch3sih3  
277 GeH3CH3 methyl germane geh3ch3  
278 C2H7+ Ethane, protonated c2h7+  
279 LiN+ Lithium Nitride cation lin+  
280 BeN Beryllium mononitride ben  
281 BeN- Beryllium mononitride anion ben-  
282 BeN+ Beryllium mononitride cation ben+  
283 BN- boron nitride anion bn-  
284 AlN- aluminum mononitride anion aln-  
285 AlN+ aluminum mononitride cation aln+  
286 AlP Aluminum monophosphide alp  
287 GaN Gallium mononitride gan  
288 GaP Gallium monophosphide gap  
289 GaAs Gallium arsenide gaas  
290 BN boron nitride bn  
291 BN+ boron nitride cation bn+  
292 AlN Aluminum nitride aln  
293 CN- cyanide anion cn-  
294 CN+ Cyano cation cn+  
295 CP Carbon monophosphide cp  
296 CP- carbon monophosphide anion cp-  
297 CP+ carbon monophosphide cation cp+  
298 SiN Silicon nitride sin  
299 SiN- silicon mononitride anion sin-  
300 SiN+ silicon mononitride cation sin+  
301 SiP- Silicon monophosphide anion sip-  
302 SiP+ Silicon monophosphide cation sip+  
303 TiN Titanium mononitride tin  
304 N2+ diatomic nitrogen cation n2+  
305 PN- phosphorus nitride anion pn-  
306 PN+ phosphorus nitride cation pn+  
307 P2 Phosphorus diatomic p2  
308 P2- phosphorus diatomic anion p2-  
309 P2+ phosphorus diatomic cation p2+  
310 AsN Arsenic mononitride asn  
311 AsP Arsenic monophosphide asp  
312 SbN Antimony nitride sbn  
313 As2 Arsenic diatomic as2  
314 HNB hydrogen nitrogen boron hnb  
315 HNC hydrogen isocyanide hnc  
316 HCN- Hydrogen cyanide anion hcn-  
317 HCP Phosphaethyne hcp  
318 NNH Dinitrogen monohydride nnh  
319 HPO Hydrogen phosphorus oxide hpo  
320 HPO+ Hydrogen phosphorus oxide cation hpo+  
321 CNH2 Aminomethylidyne radical cnh2  
322 CNH2+ N-protonated hydrogen isocyanide cnh2+  
323 H2CN Dihydrogen cyanide radical h2cn  
324 H2CN+ hydrocyanonium cation h2cn+  
325 HCNH methyleneazane hcnh  
326 HCNH+ N-protonated HCN hcnh+  
327 N2H2 (E)-diazene n2h2  
328 N2H2 (Z)-Diazene n2h2z  
329 CH2PH Phosphaethene ch3p  
330 N2H4+ hydrazine cation n2h4+  
331 P2H4 Diphosphine p2h4  
332 CH3NH2+ methyl amine cation ch3nh2+  
333 CH3PH2 Methyl phosphine ch3ph2  
334 CH3NH3+ protonated methylamine ch3nh3+  
335 NH3NH3 Ammonia Dimer nh3nh3  
336 LiO lithium oxide lio  
337 LiO- lithium oxide anion lio-  
338 LiO+ lithium oxide cation lio+  
339 LiS Lithium monosulfide lis  
340 LiS+ Lithium sulfide cation lis+  
341 NaO sodium monoxide nao  
342 NaO- sodium oxide anion nao-  
343 NaO+ sodium oxide cation nao+  
344 KO Potassium monoxide ko  
345 KO+ Potassium monoxide cation ko+  
346 NaS Sodium sulfide nas  
347 CuO Copper Monoxide cuo  
348 LiSe Lithium monoselenide lise  
349 BeO beryllium oxide beo  
350 BeO- Beryllium monoxide anion beo-  
351 BeO+ Beryllium monoxide cation beo+  
352 BeS beryllium sulfide bes  
353 MgO magnesium oxide mgo  
354 MgO- magnesium oxide anion mgo-  
355 MgO+ magnesium oxide cation mgo+  
356 CaO Calcium monoxide cao  
357 MgS magnesium sulfide mgs  
358 MgS- magnesium sulfide anion mgs-  
359 MgS+ magnesium sulfide cation mgs+  
360 CaS Calcium sulfide cas  
361 ZnO zinc monoxide zno  
362 ZnS Zinc sulfide zns  
363 BeS- Beryllium monosulfide anion bes-  
364 BeS+ Beryllium monosulfide cation bes+  
365 BO- boron monoxide anion bo-  
366 AlO Aluminum monoxide alo  
367 AlO- Aluminum monoxide anion alo-  
368 AlO+ aluminum monoxide cation alo+  
369 BS boron sulfide bs  
370 BS- boron monosulfide anion bs-  
371 BS+ boron monosulfide cation bs+  
372 AlS Aluminum sulfide als  
373 AlS- aluminum monosulfide anion als-  
374 AlS+ aluminum monosulfide cation als+  
375 ScO Scandium monoxide sco  
376 GaO Gallium monoxide gao  
377 GaS Gallium monosulfide gas  
378 BO+ boron monoxide cation bo+  
379 CS carbon monosulfide cs  
380 CS- carbon monosulfide anion cs-  
381 CS+ carbon monosulfide cation cs+  
382 SiO- silicon monoxide anion sio-  
383 SiO+ silicon monoxide cation sio+  
384 SiS- silicon monosulfide anion sis-  
385 SiS+ silicon monosulfide cation sis+  
386 TiO Titanium monoxide tio  
387 CSe Carbon monoselenide cse  
388 CSe- Carbon monoselenide anion cse-  
389 CSe+ Carbon monoselenide cation cse+  
390 GeO Germanium monoxide geo  
391 GeO+ Germanium monoxide cation geo+  
392 GeS Germanium monosulfide ges  
393 SiSe Silicon Monoselenide sise  
394 SiSe+ Silicon Monoselenide cation sise+  
395 GeSe Germanium monoselenide gese  
396 NS- nitrogen sulfide anion ns-  
397 NS+ nitrogen sulfide cation ns+  
398 PO- phosphorus monoxide anion po-  
399 PO+ phosphorus monoxide cation po+  
400 PS- phosphorus monosulfide anion ps-  
401 PS+ phosphorus monosulfide cation ps+  
402 VO Vanadium monoxide vo  
403 AsO Arsenic monoxide aso  
404 NSe Nitrogen monoselenide nse  
405 AsS Arsenic monosulfide ass  
406 PSe Phosphorus monoselenide pse  
407 AsSe Arsenic monoselenide asse  
408 O2+ diatomic oxygen cation o2+  
409 SO- sulfur monoxide anion so-  
410 S2- sulfur diatomic anion s2-  
411 S2+ sulfur diatomic cation s2+  
412 SeO Selenium monoxide seo  
413 SeO- selenium monoxide anion seo-  
414 SeO+ selenium monoxide cation seo+  
415 SeS Selenium monosulfide ses  
416 SeS- selenium monosulfide anion ses-  
417 SeS+ selenium monosulfide cation ses+  
418 TeO Tellurium monoxide teo  
419 Se2 Selenium diatomic se2  
420 Se2- selenium diatomic anion se2-  
421 Se2+ selenium diatomic cation se2+  
422 Te2 Tellurium diatomic te2  
423 NaOH sodium hydroxide naoh  
424 KOH Potassium hydroxide koh  
425 MgOH magnesium hydroxide mgoh  
426 CaOH Calcium monohydroxide caoh  
427 HCS Thioformyl radical hcs  
428 HCS- Thioformyl anion hcs-  
429 HCS+ Thioformyl cation hcs+  
430 HNO- Nitrosyl hydride anion hno-  
431 HNS Sulfur imide hns  
432 HNS- Sulfur imide anion hns-  
433 HO2 Hydroperoxy radical ho2  
434 HO2- Hydroperoxy anion ho2-  
435 HS2 Thiosulfeno radical hs2  
436 HOCH hydroxycarbene hoch  
437 H2CSe Selenoformaldehyde h2cse  
438 H2O2+ Hydrogen peroxide cation h2o2+  
439 H2Se2 hydrogen diselenide h2se2  
440 CH2OH Hydroxymethyl radical ch2oh  
441 CH3O Methoxy radical ch3o  
442 CH3S thiomethoxy ch3s  
443 NH3O Ammonia Oxide nh3o  
444 H2POH Phosphinous acid h2poh  
445 H3PO Phosphine oxide h3po  
446 H3O2+ hydrogen peroxide, protonated h3o2+  
447 CH3OH- Methyl alcohol anion ch3oh-  
448 CH3SeH Methane selenol ch3seh  
449 CH3OH2+ Methanol, protonated ch3oh2+  
450 H2ONH3 Water Ammonia Dimer h2onh3  
451 LiCl- lithium chloride anion licl-  
452 LiCl+ lithium chloride cation licl+  
453 NaF sodium fluoride naf  
454 NaF- sodium fluoride anion naf-  
455 KF Potassium Fluoride kf  
456 NaCl Sodium Chloride nacl  
457 NaCl- sodium chloride anion nacl-  
458 NaCl+ sodium chloride cation nacl+  
459 KCl Potassium Chloride kcl  
460 CuF Copper monofluoride cuf  
461 LiBr Lithium Bromide libr  
462 LiBr- lithium bromide anion libr-  
463 LiBr+ lithium bromide cation libr+  
464 CuCl Copper monochloride cucl  
465 NaBr Sodium Bromide nabr  
466 NaBr- sodium bromide anion nabr-  
467 NaBr+ sodium bromide cation nabr+  
468 KBr Potassium Bromide kbr  
469 LiI Lithium Iodide lii  
470 NaI Sodium Iodide nai  
471 KI Potassium Iodide ki  
472 LiF- lithium fluoride anion lif-  
473 BeF Beryllium monofluoride bef  
474 BeF- Beryllium monofluoride anion bef-  
475 BeF+ Beryllium monofluoride cation bef+  
476 BeCl beryllium monochloride becl  
477 MgF Magnesium monofluoride mgf  
478 MgF- magnesium fluoride anion mgf-  
479 MgF+ magnesium fluoride cation mgf+  
480 CaF Calcium monofluoride caf  
481 MgCl magnesium monochloride mgcl  
482 MgCl- magnesium monochloride anion mgcl-  
483 MgCl+ magnesium monochloride cation mgcl+  
484 CaCl calcium monochloride cacl  
485 TiCl Titanium Monochloride ticl  
486 ZnF Zinc monofluoride znf  
487 ZnF- Zinc monofluoride anion znf-  
488 ZnF+ Zinc monofluoride cation znf+  
489 ZnCl Zinc monochloride zncl  
490 CaBr Calcium monobromide cabr  
491 BeCl- beryllium monochloride anion becl-  
492 BeCl+ beryllium monochloride cation becl+  
493 BF- Boron monofluoride anion bf-  
494 BF+ Boron monofluoride cation bf+  
495 AlF- Aluminum monofluoride anion alf-  
496 AlF+ Aluminum monofluoride cation alf+  
497 BCl boron monochloride bcl  
498 BCl- boron monochloride anion bcl-  
499 BCl+ boron monochloride cation bcl+  
500 AlCl Aluminum monochloride alcl  
501 AlCl- aluminum monochloride anion alcl-  
502 AlCl+ aluminum monochloride cation alcl+  
503 ScF Scandium monofluoride scf  
504 BBr Boron monobromide bbr  
505 GaF Gallium monofluoride gaf  
506 GaF+ Gallium monofluoride cation gaf+  
507 AlBr Aluminum monobromide albr  
508 GaCl Gallium monochloride gacl  
509 GaCl+ Gallium monochloride cation gacl+  
510 AlI Aluminum monoiodide ali  
511 GaBr Gallium monobromide gabr  
512 CF- carbon monofluoride anion cf-  
513 CF+ carbon monofluoride cation cf+  
514 CCl carbon monochloride ccl  
515 CCl- carbon monochloride anion ccl-  
516 CCl+ carbon monochloride cation ccl+  
517 SiF- silicon monofluoride anion sif-  
518 SiCl- silicon monochloride anion sicl-  
519 SiCl+ silicon monochloride cation sicl+  
520 CBr Carbon monobromide cbr  
521 GeF Germanium monofluoride gef  
522 GeF+ Germanium monofluoride cation gef+  
523 GeCl Germanium monochloride gecl  
524 GeCl+ Germanium monochloride cation gecl+  
525 SiBr Silicon monobromide sibr  
526 SiBr+ Silicon monobromide cation sibr+  
527 NF nitrogen fluoride nf  
528 NF- nitrogen monofluorine anion nf-  
529 NF+ nitrogen monofluoirde cation nf+  
530 NCl- nitrogen monochloride anion ncl-  
531 NCl+ nitrogen monochloride cation ncl+  
532 PF phosphorus monofluoride pf  
533 PF- phosphorus monofluoride anion pf-  
534 PF+ phosphorus monofluoride cation pf+  
535 PCl phosphorus chloride pcl  
536 PCl- phosphorus monochloride anion pcl-  
537 PCl+ phosphorus monochloride cation pcl+  
538 AsF Arsenic monofluoride asf  
539 NBr nitrogen monobromide nbr  
540 AsCl Arsenic monochloride ascl  
541 PBr Phosphorus monobromide pbr  
542 SbF Antimony monofluoride sbf  
543 SbCl Antimony monochloride sbcl  
544 FO- flourine oxide anion fo-  
545 FO+ fluorine monoxide cation fo+  
546 ClO- chlorine monoxide anion clo-  
547 SF- sulfur monofluoride anion sf-  
548 SCl sulfur monochloride scl  
549 SCl- sulfur monochloride anion scl-  
550 SCl+ sulfur monochloride cation scl+  
551 BrO Bromine monoxide bro  
552 BrO- Bromine monoxide anion bro-  
553 BrO+ Bromine monoxide cation bro+  
554 SeF Selenium monofluoride sef  
555 SBr Sulfur monobromide radical sbr  
556 SBr+ Sulfur monobromide cation sbr+  
557 SeCl Selenium monochloride secl  
558 IO Iodine monoxide io  
559 SeBr Selenium monobromide sebr  
560 BrCl Bromine monochloride brcl  
561 ClF- clorine monofluoride anion clf-  
562 Cl2 Chlorine diatomic cl2  
563 Cl2- chlorine diatomic anion cl2-  
564 BrF Bromine monofluoride brf  
565 BrF- bromine fluoride anion brf-  
566 BrF+ bromine fluoride cation brf+  
567 BrCl- bromine chloride anion brcl-  
568 BrCl+ bromine chloride cation brcl+  
569 IF Iodine monofluoride if  
570 Br2 Bromine diatomic br2  
571 Br2- bromine diatomic anion br2-  
572 Br2+ bromine diatomic cation br2+  
573 ICl Iodine monochloride icl  
574 IBr Iodine monobromide ibr  
575 I2 Iodine diatomic i2  
576 I2+ Iodine diatomic cation i2+  
577 HCCl Chloromethylene hccl  
578 HSiBr monobromosilylene hsibr  
579 CHBr bromomethylene chbr  
580 DOCl Hypochlorous acid-d docl  
581 HOBr Hypobromous acid hobr  
582 HOBr+ Hypobromous acid cation hobr+  
583 HOI Hypoiodous acid hoi  
584 FHF Hydrogen difluoride fhf  
585 FHF- Hydrogen difluoride anion fhf-  
586 CH2Br bromomethyl radical ch2br  
587 NH2F monofluoroamine nh2f  
588 H2F2 Hydrogen fluoride dimer h2f2  
589 CD3F methylfluoride-d3 cd3f  
590 CD3Cl methyl chloride d3 cd3cl  
591 CH3Br methyl bromide ch3br  
592 GeH3F monofluorogermane geh3f  
593 GeH3Cl monochlorogermane geh3cl  
594 SiH3Br bromosilane sih3br  
595 CH3I methyl iodide ch3i  
596 SiH3I Silyl Iodide sih3i  
597 LiNe+ Lithium Neon cation line+  
598 Ne2 Neon diatomic ne2  
599 Ne2+ Neon diatomic cation ne2+  
600 Ar2 Argon diatomic ar2  
601 Ar2+ Argon diatomic cation ar2+  
602 Li3 Lithium trimer li3  
603 Li3+ Lithium trimer cation li3+  
604 C3+ carbon trimer cation c3+  
605 C3H3 cyclopropenyl radical cpr  
606 C3H3 Propargyl radical propargyl  
607 C3H3- Propargyl anion c3h3-  
608 C3H3+ cyclopropenyl cation cpr+  
609 C3H3+ Propargyl cation c3h3+  
610 C3H5 Allyl radical allyl  
611 C3H5+ Allyl cation allyl+  
612 CH3CHCH 1-propenyl radical ch3chch  
613 Zn(CH3)2 dimethyl zinc dmz  
614 SiH2(CH3)2 dimethylsilane dms  
615 NaCN Sodium Cyanide nacn  
616 KCN Potassium cyanide kcn  
617 CuCN Copper cyanide cucn  
618 ZnCN Zinc monocyanide zncn  
619 ZnNC Zinc isocyanide znnc  
620 CN2 3H-Diazirin-3-ylidene cn2  
621 NCN Cyanoimidogen ncn  
622 N3- azide anion n3-  
623 HCCN cyanomethylene hccn  
624 HCNN diazomethyl radical hcnn  
625 CH2N2 diazirine ch2n2  
626 CH2NN diazomethane ch2nn  
627 NH2CN cyanamide cyanamide  
628 CH3CN+ Acetonitrile cation ch3cn+  
629 CH3NC methyl isocyanide ch3nc  
630 CH2CHNH vinylazine ch2chnh  
631 CH3CHN methylmethaniminyl radical ch3chn  
632 NHCHNH2 aminomethanimine cn2h4  
633 C2H5N Aziridine c2h5n  
634 CH2CHNH2 aminoethene aminoethene  
635 CH2NCH3 N-methylmethanimine nmm  
636 CH3CHNH ethanimine ethanimine  
637 NH2BHNH2 diaminoborane nh2bhnh2  
638 NH2CH2NH2 diaminomethane nh2ch2nh2  
639 CH3NHCH3 Dimethylamine ch3nhch3  
640 NH2CH2NH3+ diaminoethane, protonated pdam  
641 Li2O+ dilithium oxide cation li2o+  
642 Li2S dilithium sulfide li2s  
643 CCO Dicarbon monoxide cco  
644 CNO- fulminate cno-  
645 NCO- cyanate nco-  
646 SCN thiocyanato radical scn  
647 SCN- thiocyanide anion scn-  
648 BO2 Boron dioxide bo2  
649 BO2- Boron dioxide anion bo2-  
650 BO2+ Boron dioxide cation bo2+  
651 N2O+ Nitrous oxide cation n2o+  
652 NNS Nitrogen sulfide nns  
653 PPO Phosphorus oxide phosphide ppo  
654 CO2- Carbon dioxide anion co2-  
655 CO2+ Carbon dioxide cation co2+  
656 OCS+ Carbonyl sulfide cation cos+  
657 SiO2 silicon dioxide sio2  
658 CS2- Carbon disulfide anion cs2-  
659 CS2+ Carbon disulfide cation cs2+  
660 TiO2 Titanium dioxide tio2  
661 SiS2 Silicon disulfide sis2  
662 GeO2 Germanium dioxide geo2  
663 OCSe Carbonyl selenide ocse  
664 SCSe Carbon sulfide selenide scse  
665 GeS2 Germanium disulfide ges2  
666 CSe2 Carbon diselenide cse2  
667 SCTe Carbon sulfide Telluride scte  
668 NO2- Nitrogen dioxide anion no2-  
669 PO2 Phosphorus dioxide po2  
670 PO2- Phosphorus dioxide anion po2-  
671 PO2+ Phosphorus dioxide cation po2+  
672 AsO2 Aresenic dioxide aso2  
673 O3- Ozone anion o3-  
674 O3+ Ozone cation o3+  
675 SO2- Sulfur dioxide anion so2-  
676 SO2+ Sulfur dioxide cation so2+  
677 S3- Sulfur trimer anion s3-  
678 S3+ Sulfur trimer cation s3+  
679 SeO2 Selenium dioxide seo2  
680 SeO2+ Selenium dioxide cation seo2+  
681 TeO2 Tellurium Dioxide teo2  
682 CS2H+ Carbon disulfide, protonated cs2h+  
683 HNCO Isocyanic acid hnco  
684 HOCN cyanic acid hocn  
685 HCO2- formate anion hco2-  
686 HNNO nitrosoazane hnno  
687 HCOO formate neutral radical hcoo  
688 HOCO+ Hydrocarboxyl cation hoco+  
689 HNO2 Nitrous acid hno2  
690 HNO2+ nitrous acid cation hno2+  
691 CH2CO+ Ketene cation ch2co+  
692 HCCOH ethynol hccoh  
693 Mg(OH)2 Magnesium dihydroxide h2mgo2  
694 NH2NO Nitrosamide nh2no  
695 CH2O2 Dioxirane diox  
696 H2O3 Hydrogen trioxide h2o3  
697 HSSSH trisulfane hsssh  
698 NaOCH3 Sodium methoxide naoch3  
699 CH2CHO Vinyloxy radical ch2cho  
700 CH3CO Acetyl radical ch3co  
701 CH3CO- Acetyl anion ch3co-  
702 CH3CO+ acetyl cation ch3co+  
703 CHONH2 formamide formamide  
704 CH2OOH CH2OOH radical ch2ooh  
705 CH3OO methylperoxy radical ch3oo  
706 CH3OO- methylperoxy anion ch3oo-  
707 CH3OO+ methylperoxy cation ch3oo+  
708 CH2CHOH ethenol ch2choh  
709 H2CONH2+ protonated formamide h2conh2+  
710 NH3CHO+ Formamide, N-Protonated nh3cho+  
711 CH2(OH)2 methanediol ch2o2h2  
712 CH3OOH Methyl peroxide ch3ooh  
713 H2OH2CO water formaldehyde dimer h2oh2co  
714 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
715 CH3CH2O Ethoxy radical ethoxy  
716 CH3OCH2 methoxymethyl radical ch3och2  
717 CH3SeCH3 dimethylselenide dmse  
718 CH3OHH2O methanol water dimer ch3ohh2o  
719 H2OCH3OH water methanol dimer h2och3oh  
720 CuF2 Copper difluoride cuf2  
721 ZnF2 Zinc difluoride znf2  
722 FCN Cyanogen fluoride fcn  
723 ClCN chlorocyanogen clcn  
724 BrCN Cyanogen bromide brcn  
725 ICN Cyanogen iodide icn  
726 BeF2 Beryllium fluoride bef2  
727 MgF2 Magnesium fluoride mgf2  
728 BeCl2 Beryllium chloride becl2  
729 MgCl2 Magnesium dichloride mgcl2  
730 CaCl2 Calcium Chloride cacl2  
731 ZnCl2 Zinc dichloride zncl2  
732 BeBr2 Beryllium bromide bebr2  
733 CaBr2 Calcium dibromide cabr2  
734 CaF2 Calcium difluoride caf2  
735 FCO Carbonyl fluoride fco  
736 FCO+ Carbonyl fluoride cation fco+  
737 ClCO carbonyl monochloride clco  
738 BrNO Nitrosyl bromide brno  
739 INO Nitrosyl iodide ino  
740 CF2- Difluoromethylene anion cf2-  
741 CF2+ Difluoromethylene cation cf2+  
742 CCl2 dichloromethylene ccl2  
743 CCl2- dichloromethylene anion ccl2-  
744 CCl2+ dichloromethylene cation ccl2+  
745 SiCl2 Dichlorosilylene sicl2  
746 GeF2 Germanium difluoride gef2  
747 GeCl2 Germanium dichloride gecl2  
748 CBr2 dibromomethylene cbr2  
749 FOO Dioxygen monofluoride radical foo  
750 ClOO chloroperoxy radical cloo  
751 ClOO+ chloroperoxy cation cloo+  
752 OClO+ Chlorine dioxide cation oclo+  
753 ClS2 Sulfur chloride cls2  
754 BrOO Bromine dioxide broo  
755 OBrO Bromine dioxide radical obro  
756 NF2 Difluoroamino radical nf2  
757 NF2+ Difluoroamino cation nf2+  
758 F2O Difluorine monoxide f2o  
759 SF2- sulfur difluoride anion sf2-  
760 SF2+ sulfur difluoride cation sf2+  
761 Cl2O Dichlorine monoxide cl2o  
762 SCl2 Sulfur dichloride scl2  
763 SeF2 Selenium difluoride sef2  
764 BrOCl Bromine hypochlorite brocl  
765 SeCl2 Selenium Dichloride secl2  
766 SBr2 Sulfur dibromide sbr2  
767 SeBr2 Selenium dibromide sebr2  
768 BrOBr Bromine oxide brobr  
769 F3- trifluoride anion f3-  
770 Cl3- trichloride anion cl3-  
771 Br3- tribromide anion br3-  
772 I3- triiodide i3-  
773 HCCF+ fluoroacetylene cation hccf+  
774 HCCCl Chloroacetylene hcccl  
775 HCCBr bromoacetylene hccbr  
776 HFCO formyl fluoride hfco  
777 HFCO+ formyl fluoride cation hfco+  
778 COHCl Formyl chloride cohcl  
779 COHBr Formyl bromide cohbr  
780 BHF2 Difluoroborane bhf2  
781 BHCl2 Borane, dichloro- bhcl2  
782 CHBr2 dibromomethyl radical chbr2  
783 HOClO Chlorous acid hoclo  
784 CH2FCl fluorochloromethane ch2fcl  
785 CH2BrF Methane, bromofluoro- ch2fbr  
786 CH2BrCl Methane, bromochloro- ch2clbr  
787 CH2FI fluoroiodomethane ch2fi  
788 CH2Br2 dibromomethane ch2br2  
789 CH2ClI chloroiodomethane ch2cli  
790 CH2BrI bromoiodomethane ch2bri  
791 CH2I2 Diiodomethane ch2i2  
792 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
793 CH2CHF+ fluoroethene cation ch2chf+  
794 C2H3Cl Ethene, chloro- ch2chcl  
795 C2H3Br vinyl bromide c2h3br  
796 C2H3I Vinyl iodide c2h3i  
797 CH3OCl methyl hypochlorite ch3ocl  
798 C2H5F fluoroethane c2h5f  
799 CH3CH2Cl Ethyl chloride c2h5cl  
800 CH3SiFH2 fluoromethylsilane ch3sifh2  
801 C2H5Br Ethyl bromide etbr  
802 C2H5I Ethyl iodide c2h5i  
803 KrF2 Krypton difluoride krf2  
804 XeF2 Xenon difluoride xef2  
805 B4H10 Tetraborane(10) b4h10  
806 C4+ Carbon tetramer cation c4+  
807 C4H2 Diacetylene c4h2  
808 C2H3CCH 1-Buten-3-yne c2h3cch  
809 C4H4 cyclobutadiene cbd  
810 H2CCCCH2 Butatriene h2cccch2  
811 C4H6 Cyclobutene c822355  
812 C4H6 Methylenecyclopropane c6142730  
813 CH2CCHCH3 1,2-Butadiene butad12  
814 CH2CHCHCH2 1,3-Butadiene c106990  
815 CH3CCCH3 2-Butyne c503173  
816 CHCCH2CH3 1-Butyne c107006  
817 CH3CHCHCH2 methylallyl radical c4h7  
818 C4H8 methylcyclopropane mcp  
819 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
820 CH3CHCHCH3 2-Butene, (E)- bute2e  
821 CH3CHCHCH3 2-Butene, (Z)- bute2z  
822 B(CH3)3 trimethylborane bme3  
823 Al(CH3)3 trimethyl aluminum tma  
824 C(CH3)3 Tert-butyl radical tbutyl  
825 CH2CH(CH3)2 Isobutyl radical isobutyl  
826 CH3CHCH2CH3 2-Butyl radical butyl2  
827 CH3CH(CH3)CH3 Isobutane isobutane  
828 SiH(CH3)3 trimethylsilane trimsi  
829 Li3N trilithium nitride li3n  
830 C2N2+ Cyanogen cation c2n2+  
831 P4 Phosphorus tetramer p4  
832 As4 Arsenic tetramer as4  
833 HCCCN Cyanoacetylene hcccn  
834 C3H3N acrylonitrile ch2chcn  
835 C3H3N+ acrylonitrile cation ch2chcn+  
836 CH5N3 Guanidine guanidine  
837 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
838 CH6N3+ guanidinium ch6n3+  
839 C3H7N Cyclopropylamine cpram  
840 C3H7N Azetidine azet  
841 C2H8N2 Ethylenediamine ethdiam  
842 CH3NHNHCH3 dimethyl hydrazine dmh  
843 CH3CH(NH2)CH3 2-Propanamine pram2  
844 N(CH3)3 Trimethylamine trimeam  
845 P(CH3)3 trimethylphosphine tmp  
846 As(CH3)3 trimethyl arsine tmas  
847 Li2O2 dilithium dioxide li2o2  
848 Na2O2 disodium dioxide na2o2  
849 K2O2 dipotassium dioxide k2o2  
850 B2O2 Diboron dioxide b2o2  
851 CO3 Carbon trioxide co3  
852 CO3-- carbonate co3--  
853 NO3 Nitrogen trioxide no3  
854 NO3+ nitrogen trioxide cation no3+  
855 SO3- Sulfur trioxide anion so3-  
856 SO3+ Sulfur trioxide cation so3+  
857 SeO3 selenium trioxide seo3  
858 TeO3 Tellurium trioxide teo3  
859 HCO3- bicarbonate anion hco3-  
860 HSO3 Hydroxysulfonyl radical hso3  
861 C2H2CO cyclopropenone c2h2co  
862 HCCCHO 2-propynal hcccho  
863 C2H2O2+ Ethanedial cation c2h2o2+  
864 H2CO3 Carbonic acid h2co3  
865 H2CS3 thiocarbonic acid h2cs3  
866 H2NO3+ Nitric Acid, Protonated h2no3+  
867 H2SO3 Sulfurous acid h2so3  
868 CH3COO- acetate anion ch3coo-  
869 CH3ONO Methyl nitrite ch3ono  
870 NH2COOH Carbamic acid nh2cooh  
871 H3BO3 Boric acid h3bo3  
872 H3CO3+ carbonic acid, protonated h3co3+  
873 C3H4O 2-Propyn-1-ol c107197  
874 C3H4O allenol c9000071  
875 C3H4O Cyclopropanone cpone  
876 C3H4O Methylketene c6004440  
877 NH2CONH2+ Urea cation urea+  
878 NH2CSNH2 Thiourea thiourea  
879 C2H4O2 1,3-dioxetane c2h4o2  
880 CH3COOH Acetic acid ch3cooh  
881 CH3OCHO methyl formate ch3ocho  
882 CHOCH2OH hydroxy acetaldehyde haa  
883 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
884 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
885 HCOOHH2O Formic acid water dimer hcoohh2o  
886 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
887 CH3COCH2 Acetonyl radical ch3coch2  
888 CH3CONH2 Acetamide acetamide  
889 C2H5OO ethylperoxy radical c2h5oo  
890 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
891 C3H6O 2-Propen-1-ol c107186  
892 C3H6O Oxetane oxetane  
893 C3H6O Propylene oxide prox  
894 CH3COCH3- acetone anion ch3coch3-  
895 C3H6S Thietane thietane  
896 C3H6S Thiirane, methyl- methiirane  
897 CH3CSCH3 Thioacetone ch3csch3  
898 C2H6O2 1,2-Ethanediol ethdiol  
899 CH3OOCH3 dimethylperoxide dmp  
900 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
901 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
902 CH3COHCH3+ acetone, protonated acetoneh+  
903 HOCH2CH2NH2 monoethanolamine mea  
904 CH3CHOHCH3 Isopropyl alcohol isoproh  
905 CH3OC2H5 Ethane, methoxy- etome  
906 C3H7SH 1-Propanethiol prsh  
907 CH3CHSHCH3 2-Propanethiol isoprsh  
908 CH3SCH2CH3 Ethane, (methylthio)- etsme  
909 H2OCH3OCH3 water dimethylether dimer h2och3och3  
910 Na2F2 Sodium Fluoride Dimer na2f2  
911 Na2Cl2 Disodium dichloride na2cl2  
912 C2F2 difluoroacetylene c2f2  
913 C2Cl2 dichloroacetylene c2cl2  
914 C2Cl2+ dichloroacetylene cation c2cl2+  
915 ClNO2 Nitryl chloride clno2  
916 BrONO Bromine nitrite brono  
917 N2F2 (Z)-Difluorodiazene n2f2_z  
918 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
919 COFCl Carbonic chloride fluoride cofcl  
920 CCl2O Phosgene cl2co  
921 Cl2CS Thiophosgene cl2cs  
922 COBr2 Carbonic dibromide cobr2  
923 BF3 Borane, trifluoro- bf3  
924 BF3- Borane, trifluoro- anion bf3-  
925 AlF3 Aluminum trifluoride alf3  
926 AlF2Cl Aluminum chloride difluoride alclf2  
927 ScF3 Scandium trifluoride ScF3  
928 AlFCl2 Aluminum dichloride fluoride alcl2f  
929 GaF3 Gallium trifluoride gaf3  
930 AlCl3 Aluminum trichloride alcl3  
931 GaCl3 Gallium trichloride gacl3  
932 BBr3 Boron tribromide bbr3  
933 AlBr3 Aluminum Bromide albr3  
934 ClO3 Chlorine trioxide clo3  
935 ClO3- chlorate anion clo3-  
936 BrO3- Bromate anion bro3-  
937 CF3 Trifluoromethyl radical cf3  
938 CF3- Trifluoromethyl anion cf3-  
939 CF3+ Trifluoromethyl cation cf3+  
940 CCl3 Trichloromethyl radical ccl3  
941 CCl3- Trichloromethyl anion ccl3-  
942 CCl3+ Trichloromethyl cation ccl3+  
943 SiCl3 trichlorosilyl radical sicl3  
944 SiCl3+ trichlorosilyl cation sicl3+  
945 CBr3 tribromomethyl radical cbr3  
946 FOOF Perfluoroperoxide foof  
947 F2SO Thionyl Fluoride f2so  
948 FSSF Difluorodisulfane fssf  
949 S2F2 Thio-thionyl fluoride s2f2  
950 SOCl2 thionyl chloride socl2  
951 SeOCl2 selenium oxychloride seocl2  
952 NF3- Nitrogen trifluoride anion nf3-  
953 NF3+ Nitrogen trifluoride cation nf3+  
954 PF3 Phosphorus trifluoride pf3  
955 AsF3 Arsenic trifluoride asf3  
956 PCl3 Phosphorus trichloride pcl3  
957 SbF3 Antimony Trifluoride sbf3  
958 AsCl3 Arsenous trichloride ascl3  
959 SbCl3 Antimony Trichloride sbcl3  
960 NBr3 Nitrogen Tribromide nbr3  
961 PBr3 Phosphorus tribromide pbr3  
962 AsBr3 Arsenic tribromide asbr3  
963 NI3 Nitrogen triiodide ni3  
964 PI3 Phosphorus triiodide pi3  
965 ClSSCl Disulfur dichloride s2cl2  
966 SF3 Sulfur trifluoride sf3  
967 BrF3 Bromine trifluoride brf3  
968 IF3 iodone trifluoride if3  
969 CHF2Cl difluorochloromethane chf2cl  
970 CHFCl2 fluorodichloromethane chfcl2  
971 CDCl3 trichloromethane-d cdcl3  
972 CHBrF2 Methane, bromodifluoro- chbrf2  
973 SiHCl3 Trichlorosilane sihcl3  
974 CHFClBr fluorochlorobromomethane chfclbr  
975 CHBrCl2 Methane, bromodichloro- chbrcl2  
976 CHF2I difluoroiodomethane chf2i  
977 CHBr2F dibromofluoromethane chbr2f  
978 CHFClI fluorochloroiodomethane chfcli  
979 CHCl2I dichloroiodomethane chcl2i  
980 CHClBr2 Methane, dibromochloro- chclbr2  
981 CHBr3 bromoform chbr3  
982 CHI3 Iodoform chi3  
983 AsF3H+ Arsenic trifluoride, protonated asf3h+  
984 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
985 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
986 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
987 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
988 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
989 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
990 C2H2Br2 1,1-dibromoethene c2h2br2  
991 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
992 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
993 CH2FCHO Fluoroacetaldehyde ch2fcho  
994 CH3COF Acetyl fluoride ch3cof  
995 CH2ClCHO chloroacetaldehyde ch2clcho  
996 CH3COCl Acetyl Chloride ch3cocl  
997 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
998 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
999 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1000 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1001 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1002 CH2CFCH3 2-fluoropropene 2fpro  
1003 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1004 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1005 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1006 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1007 CH3CH2CH2Br n-propyl bromide prbr  
1008 CH3CHBrCH3 i-propyl bromide iprbr  
1009 C3H9O+ trimethyl oxonium cation c3h9o+  
1010 C5H5 cyclopentadienyl radical c5h5  
1011 C5H5- cylopentadienyl anion c5h5-  
1012 C5H6 1,3-Cyclopentadiene c542927  
1013 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1014 C5H6 3-Penten-1-yne, (E)- c2004695  
1015 C5H6 3-Penten-1-yne, (Z)- c1574409  
1016 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1017 C5H6 Cyclopropylacetylene c6746947  
1018 C5H7 1,3-pentadienyl radical pdyl  
1019 C5H7 cyclopentenyl radical cpyl  
1020 C5H8 1,2-Butadiene, 3-methyl- c598254  
1021 C5H8 1,2-Pentadiene c591957  
1022 C5H8 1,3-Butadiene, 2-methyl- c78795  
1023 C5H8 1,3-Pentadiene, (E)- c2004708  
1024 C5H8 1,3-Pentadiene, (Z)- c1574410  
1025 C5H8 1,4-Pentadiene c591935  
1026 C5H8 1-pentyne a1pentyne  
1027 C5H8 2,3-Pentadiene c591968  
1028 C5H8 Cyclobutane, methylene- c1120565  
1029 C5H8 Cyclopentene c142290  
1030 C5H8 Ethenylcyclopropane c693867  
1031 CH3CCCH2CH3 2-Pentyne 2pentyne  
1032 C5H10 1-Butene, 2-methyl- c563462  
1033 C5H10 2-Butene, 2-methyl- c513359  
1034 C5H10 2-Pentene, (E)- c646048  
1035 C5H10 2-Pentene, (Z)- c627203  
1036 C5H10 Cyclopentane c287923  
1037 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1038 CH2CHCH2CH2CH3 1-pentene pentene  
1039 C5H11 2-Methylbut-2-yl radical c4348350  
1040 C5H12 Butane, 2-methyl- buta2  
1041 C5H12 Pentane pentane  
1042 C5H12 Propane, 2,2-dimethyl- neopentane  
1043 Si(CH3)4 tetramethylsilane tms  
1044 N2O3 Dinitrogen trioxide n2o3  
1045 C3H2N2 Malononitrile c3h2n2  
1046 CH2N4 1H-Tetrazole 1htz  
1047 C3H3N2 imidazolyl radical im  
1048 C3H3N2- imidizolyl anion im-  
1049 C2H3N3 1H-1,2,4-Triazole c288880  
1050 C4H4N pyrrolide radical c4h4n  
1051 C4H4N- pyrrolide anion c4h4n-  
1052 C3H4N2 1H-Pyrazole 1hpyraz  
1053 C4H5N (E)-2-Butenenitrile c627269  
1054 C4H5N (Z)-2-Butenenitrile c1190767  
1055 C4H5N 2H-pyrrole pyrrole2  
1056 C4H5N 3H-pyrrole pyrrole3  
1057 C4H5N Cyclopropanecarbonitrile c5500210  
1058 CH2CHCH2CN Allylcyanide ch2chch2cn  
1059 C3H6N2 3-Aminopropionitrile c151188  
1060 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1061 CH3CH2CH2CN Butanenitrile c109740  
1062 C5H8 Bicyclo[2.1.0]pentane c185944  
1063 C5H8 Spiropentane c157404  
1064 C4H9N Cyclobutylamine cbam  
1065 C4H9N Pyrrolidine pyrrolidine  
1066 C3H10N2 1,2-Diaminopropane diampr12  
1067 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1068 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1069 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1070 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1071 NC4H12+ tetramethyl ammonium cation nc4h12+  
1072 C3O2+ Carbon suboxide cation c3o2+  
1073 CaCO3 Calcium Carbonate caco3  
1074 ONONO Nitrosyl nitrite onono  
1075 PO4--- phosphate po4---  
1076 SO4-- sulfate so4--  
1077 HOONO2 peroxy nitric acid hoono2  
1078 HSO4- bisulfate anion hso4-  
1079 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1080 C3H2O2 Propiolic acid c3h2o2  
1081 CHOCOOH oxo acetic acid oaa  
1082 H2SO4 Sulfuric acid h2so4  
1083 H2SeO4 Selenic acid h2seo4  
1084 C3H3NO Oxazole oxazole  
1085 CH3C(O)OO acetyl peroxy radical ch3coo2  
1086 CH3NO3 Methyl nitrate ch3no3  
1087 H3PO4 Phosphoric Acid h3po4  
1088 C4H4O+ Furan cation furan+  
1089 C4H4S Thiophene furans  
1090 C4H4Se selenophene c4h4se  
1091 C3H4O2 β–Propiolactone beta  
1092 C3H4O2 2-Propenoic acid propenoic2  
1093 C3H4O2 Methyl glyoxal megly  
1094 C3H4O2 propanedial propanedial  
1095 C3H4O2 propenalol propenalol  
1096 HOCHCCHOH allenediol aldiol  
1097 C2H4O3 1,2,3-trioxolane c2h4o3  
1098 C2H4O3 trioxolane124 triox  
1099 HOCH2COOH Hydroxyacetic acid hac  
1100 CH2CHCONH2 Acrylamide c79061  
1101 CH5N3S Hydrazinecarbothioamide c79196  
1102 H2NCH2COOH Glycine glycine  
1103 C4H6O cis-2-butenal butenal2c  
1104 C4H6O Cyclobutanone cbutone  
1105 C4H6O Furan, 2,3-dihydro- furan23h  
1106 C4H6O Furan, 2,5-dihydro- furan25h  
1107 CH2CHOCHCH2 Vinyl ether vinylether  
1108 CHOCHCHCH3 2-Butenal butenal2  
1109 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1110 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1111 C2H6N2O Urea, methyl- c598505  
1112 C3H6O2 1,3-Dioxolane dioxolane  
1113 CH3CH2COOH Propanoic Acid propanoic  
1114 CH3COOCH3 methyl acetate aame  
1115 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1116 C3H7NO dimethylformamide dmf  
1117 C3H7NO Propanamide propanam  
1118 C2H3OC2H5 Ethene, ethoxy- c109922  
1119 C4H8O Cyclobutanol c2919235  
1120 C4H8O Furan, tetrahydro- thf  
1121 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1122 CH3COCH2CH3 2-Butanone buta2one  
1123 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1124 CHOCH2CH2CH3 Butanal butanal  
1125 C3H8O2 1,3-Propanediol c504632  
1126 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1127 C3H8O2 Methane, dimethoxy- c109875  
1128 C3H8O2 Propylene glycol c57556  
1129 C3H8S2 1,3-Propanedithiol c109808  
1130 C4H10O 1-Butanol butanol1  
1131 C4H10O 1-Propanol, 2-methyl- c78831  
1132 C4H10O 2-Butanol, (.+/-.)- butanol2  
1133 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1134 C4H10O Propane, 2-methoxy- c598538  
1135 C4H10O+ 1-Butanol cation butanol1+  
1136 C2H5SC2H5 Diethyl sulfide etset  
1137 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1138 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1139 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1140 FNO3 Fluorine nitrate fno3  
1141 ClONO2 Chlorine nitrate clono2  
1142 BrONO2 Bromine nitrate brono2  
1143 TiCl4 Titanium tetrachloride ticl4  
1144 ClO4- perchlorate anion clo4-  
1145 BF4- tetrafluoroboron anion bf4-  
1146 ClFO3 Perchloryl fluoride clfo3  
1147 SO2F2 Sulfuryl fluoride so2f2  
1148 SO2Cl2 Sulfuryl chloride so2cl2  
1149 F3NO Nitrogen trifluoride oxide f3no  
1150 F3PO Phosphoryl fluoride pf3o  
1151 Cl3PO Phosphoryl chloride pcl3o  
1152 CF4 Carbon tetrafluoride cf4  
1153 SiF4 Silicon tetrafluoride sif4  
1154 TiF4 Titanium tetrafluoride tif4  
1155 CFCl3 Trichloromonofluoromethane cfcl3  
1156 CF3Br Bromotrifluoromethane cf3br  
1157 GeF4 Germanium tetrafluoride gef4  
1158 CCl4+ Carbon tetrachloride cation ccl4+  
1159 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1160 SiCl4 Silane, tetrachloro- sicl4  
1161 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1162 CF3I trifluoroiodomethane cf3i  
1163 CBrCl3 Methane, bromotrichloro- cbrcl3  
1164 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1165 GeCl4 Germanium Tetrachloride gecl4  
1166 CBr2ClF dibromochlorofluoromethane cbr2clf  
1167 CBr2Cl2 dibromodichloromethane cbr2cl2  
1168 CCl3I trichloroiodomethane ccl3i  
1169 CFBr3 fluorotribromomethane cfbr3  
1170 CFClBrI fluorochlorobromoiodomethane cfclbri  
1171 CBr3Cl tribromochloromethane cbr3cl  
1172 CF2I2 difluorodiiodomethane cf2i2  
1173 CBr4 Carbon tetrabromide cbr4  
1174 CCl2I2 dichlorodiiodomethane ccl2i2  
1175 SiBr4 Silicon tetrabromide sibr4  
1176 CBr3I tribromoiododmethane cbr3i  
1177 GeBr4 Germanium tetrabromide gebr4  
1178 CI4 tetraiodomethane ci4  
1179 SiI4 silicon tetraiodide sii4  
1180 SeF4 Selenium tetrafluoride sef4  
1181 C2HF3 Trifluoroethylene c2hf3  
1182 C2HF3+ Trifluoroethylene cation c2hf3+  
1183 CHClCCl2 Trichloroethylene chclccl2  
1184 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1185 HClO4 perchloric acid hclo4  
1186 HSO3F Fluorosulfonic acid hso3f  
1187 CF3OH trifluoromethanol cf3oh  
1188 CHClCCHCl 1,3-dichloroallene chclcchcl  
1189 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1190 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1191 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1192 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1193 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1194 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1195 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1196 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1197 NH3BCl3 Amminetrichloroboron nh3bcl3  
1198 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1199 C3H5ClO Oxirane, (chloromethyl)- c106898  
1200 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1201 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1202 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1203 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1204 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1205 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1206 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1207 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1208 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1209 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1210 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1211 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1212 C4H9F 1-fluorobutane butaf1  
1213 CH3CHFCH2CH3 2-fluorobutane butaf2  
1214 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1215 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1216 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1217 XeF4 Xenon tetrafluoride xef4  
1218 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1219 C6H2 hexatriyne c6h2  
1220 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1221 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1222 C6H4 Benzyne benzyne  
1223 C6H5 phenyl phenyl  
1224 C6H5- phenyl anion phenyl-  
1225 C6H6 2,4-Hexadiyne hexadiyne  
1226 C6H6 3,4-Dimethylenecyclobutene cb34m  
1227 C6H6 Trimethylenecycopropane tmcp  
1228 C6H6+ Benzene cation c6h6+  
1229 C6H8 (E)-hexa-1,3,5-triene c821078  
1230 C6H8 (E)-hexa-2,3,4-triene c59660650  
1231 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1232 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1233 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1234 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1235 C6H8 3-Methylenecyclopentene c930267  
1236 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1237 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1238 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1239 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1240 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1241 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1242 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1243 C6H10 1,5-Hexadiene c592427  
1244 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1245 C6H10 1-Hexyne hexyne1  
1246 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1247 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1248 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1249 C6H10 2-Hexyne c764352  
1250 C6H10 cyclohexene cyclohexene  
1251 C6H10 Cyclopentene, 1-methyl- c693890  
1252 C6H10 Cyclopentene, 3-methyl- c1120623  
1253 C6H10 Cyclopentene, 4-methyl- c1759815  
1254 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1255 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1256 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1257 C6H12 (E)-2-Hexene e2hexene  
1258 C6H12 (E)-3-methylpent-2-ene c616126  
1259 C6H12 (E)-hex-3-ene e3hexene  
1260 C6H12 (Z)-3-methylpent-2-ene c922623  
1261 C6H12 (Z)-hex-2-ene z2hexene  
1262 C6H12 (Z)-hex-3-ene z3hexene  
1263 C6H12 2,3-dimethylbut-1-ene c563780  
1264 C6H12 2,3-dimethyl-but-2-ene tmeet  
1265 C6H12 3-methylenepentane c760214  
1266 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1267 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1268 C6H12 Cyclohexane cyclohexane  
1269 C6H12 Cyclopentane, methyl- c96377  
1270 C6H12 Ethylcyclobutane c4806615  
1271 C6H12 hex-1-ene hexene1  
1272 C6H14 Butane, 2,2-dimethyl- buta22  
1273 C6H14 Butane, 2,3-dimethyl- buta23  
1274 C6H14 Hexane hexane  
1275 C6H14 Pentane, 2-methyl- penta2  
1276 C6H14 Pentane, 3-methyl- penta3  
1277 C4N2 2-Butynedinitrile c4n2  
1278 C4H2N2 Fumaronitrile c4h2n2  
1279 C2H2N4 sym-tetrazine ttz  
1280 C3H3N3 1,3,5-Triazine triazine135  
1281 CH3N5 5-Aminotetrazole c4418615  
1282 C4H4N2 1,3-Diazine diazine13  
1283 C4H4N2 Pyrazine pyrazine  
1284 C4H4N2 Pyridazine pyridazine  
1285 C4H4N2 Succinonitrile c110612  
1286 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1287 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1288 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1289 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1290 C5H5N E-2,4-pentadienenitrile bdcn  
1291 C5H5N Pyridine pyridine  
1292 B3N3H6 borazine borazine  
1293 C6H6 Fulvene fulvene  
1294 C5H6N+ Pyridinium c5h6n  
1295 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1296 C5H7N (E)-2-Pentenenitrile c26294984  
1297 C5H7N (E)-3-Pentenenitrile c16529661  
1298 C5H7N (Z)-2-Pentenenitrile c25899507  
1299 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1300 C5H7N Cyclobutanecarbonitrile c4426113  
1301 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1302 C5H9N Butanenitrile, 2-methyl- c18936179  
1303 C5H9N Pentanenitrile c110598  
1304 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1305 C6H10 Bicyclo[3.1.0]hexane c285585  
1306 C5H11N Cyclopentanamine cypentam  
1307 C5H11N Piperidine piper  
1308 C4H12N2 1,2-Butanediamine c4426486  
1309 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1310 Li2CO3 Lithium Carbonate li2co3  
1311 Na2CO3 Sodium Carbonate na2co3  
1312 C2O4-- oxalate anion c2o4  
1313 C2H3NO3 Oxamic acid oxamic  
1314 C4H4O2 2(5H)-Furanone furanone  
1315 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1316 C2H4N2O2 Oxalamide oxalamide  
1317 C2H4CO3 Ethylene carbonate etco3  
1318 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1319 C3H4S3 1,3-Dithiolane-2-thione c822388  
1320 C4H5NO 3-Methylisoxazole isox3m  
1321 C4H5NO Isoxazole, 5-methyl- c5765446  
1322 C4H5NS 4-Methylthiazole c693958  
1323 C2H5NO3 Nitric acid, ethyl ester c625581  
1324 C5H6O 2-methylfuran furan2m  
1325 C5H6O 3-Methylfuran furan3m  
1326 C5H6S Thiophene, 2-methyl- c554143  
1327 C5H6S Thiophene, 3-methyl- c616444  
1328 C4H6O2 2,3-Butanedione c431038  
1329 C4H6O2 2-Propenoic acid, methyl ester c96333  
1330 C4H6O2 Crotonic Acid crot  
1331 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1332 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1333 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1334 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1335 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1336 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1337 C4H6OS Vinyl sulfoxide c1115157  
1338 CH6N4S Carbonothioic dihydrazide thiacarb  
1339 C2H6N2O2 (E)-Azodioxymethane c37765154  
1340 C2H6N2O2 Dimethylnitroamine c4164287  
1341 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1342 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1343 C4H7NO 2-Pyrrolidinone c616455  
1344 C4H7NO Ethoxyacetonitrile etoaccn  
1345 C4H7NO Methacrylamide c79390  
1346 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1347 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1348 C3H7ONO Propyl nitrite prono  
1349 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1350 CH3CH(NH2)COOH Alanine alanine  
1351 CH3NHCH2COOH Sarcosine sarcosine  
1352 NH2CH2CH2COOH β–alanine betaalanine  
1353 NH2COOC2H5 Urethane urethane  
1354 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1355 C5H8O Cyclopentanone c120923  
1356 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1357 C5H8O Methyl cyclopropyl ketone c765435  
1358 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1359 NH2CONHC2H5 Urea, ethyl- c625525  
1360 C4H8O2 1,3-Dioxane dioxan13  
1361 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1362 C4H8O2 1,4-Dioxane dioxan14  
1363 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1364 C4H8OS s-Ethyl thioacetate c625605  
1365 C3H8O3 1,2,3-Propanetriol glycerin  
1366 C3H8O2S (Methylsulfonyl)ethane c594434  
1367 C4H9NO Butanamide c541355  
1368 C4H9NO Propanamide, 2-methyl- c563837  
1369 C5H10O 2-Butanone, 3-methyl- c563804  
1370 C5H10O 2H-Pyran, tetrahydro- c142687  
1371 C5H10O 2-methylbutyraldehyde 2meba  
1372 C5H10O 2-Pentanone mpk  
1373 C5H10O Cyclopentanol c96413  
1374 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1375 C5H10O Pentanal pal  
1376 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1377 C5H10S 3-Ethylthio-1-propene c5296628  
1378 C5H10S Cyclopentanethiol c1679078  
1379 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1380 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1381 C4H10O2 1,1-Dimethoxyethane c534156  
1382 C4H10O2 1,3-Butanediol budiol13  
1383 C4H10O2 1,4-Butanediol budiol14  
1384 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1385 C4H10OS Diethyl sulfoxide c70291  
1386 C4H10S2 1,4-Butanedithiol budisl14  
1387 C4H11NO Diethylhydroxylamine c3710847  
1388 C5H12O 1-Butanol, 2-methyl- c137326  
1389 C5H12O 1-Butanol, 3-methyl- c123513  
1390 C5H12O 1-Pentanol pentanol1  
1391 C5H12O 2-Butanol, 3-methyl- c598754  
1392 C5H12O 2-Pentanol peol2  
1393 C5H12O 3-Pentanol pentan3ol  
1394 C5H12O Butane, 1-methoxy- meobu  
1395 C5H12O Propane, 1-ethoxy- proet  
1396 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1397 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1398 C5H12S 1-Butanethiol, 3-methyl- c541311  
1399 C5H12S 1-Pentanethiol c110667  
1400 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1401 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1402 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1403 C5H12S Butane, 1-(methylthio)- c628295  
1404 C5H12S Ethyl propyl sulfide c4110503  
1405 C5H12S Propane, 2-(ethylthio)- c5145993  
1406 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1407 CF3CN Acetonitrile, trifluoro- cf3cn  
1408 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1409 B2F4 Diboron tetrafluoride b2f4  
1410 B2Cl4 Diboron tetrachloride b2cl4  
1411 C2F4 Tetrafluoroethylene c2f4  
1412 C2F4+ Tetrafluoroethylene cation c2f4+  
1413 C2FCl3 fluorotrichloroethene c2fcl3  
1414 C2Cl4 Tetrachloroethylene c2cl4  
1415 C2Br4 tetrabromoethene c2br4  
1416 CF3OF Trifluoromethylhypofluorite cf3of  
1417 AsF5 Arsenic pentafluoride asf5  
1418 PCl5 Phosphorus pentachloride pcl5  
1419 SF5 Sulfur pentafluoride sf5  
1420 SbCl5 Antimony pentachloride sbcl5  
1421 BrF5 bromine pentafluoride brf5  
1422 ClF5 chlorinepentafluoride clf5  
1423 IF5 pentafluoroiodine if5  
1424 CF3CHO trifluoroacetaldehyde cf3cho  
1425 CCl3CHO trichloroacetaldehyde ccl3cho  
1426 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1427 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1428 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1429 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1430 CF3COOH trifluoroacetic acid cf3cooh  
1431 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1432 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1433 C4H8Cl2 1,4-Dichlorobutane c110565  
1434 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1435 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1436 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1437 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1438 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1439 C5H11Cl Pentane, 1-chloro- pencl1  
1440 C6H5CH2 benzyl radical benzyl  
1441 C6H5CH3 toluene toluene  
1442 C7H8 cycloheptatriene cht  
1443 C7H8 Norbornadiene norbor  
1444 C7H8 Quadricyclane qucy  
1445 C7H12 Norbornane nor  
1446 C7H14 cycloheptane c7h14  
1447 C7H16 2-methylhexane 2mhex  
1448 C7H16 3-methylhexane hex3m  
1449 C7H16 heptane heptane  
1450 C6H7N 2-Methylpyridine mp  
1451 C6H5NH2 aniline aniline  
1452 C6H13N 2-Methylpiperidine pip2m  
1453 C6H13N cyclohexanamine cham  
1454 C6H15N triethylamine tea  
1455 N2O5 Dinitrogen pentoxide n2o5  
1456 C4H2O3 Maleic Anhydride malan  
1457 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1458 C6H5O phenoxy radical phenoxy  
1459 C5H5NO 2(1H)-Pyridinone c72762006  
1460 C5H5NO 2(3H)-Pyridinone c9000048  
1461 C5H5NO 2(5H)-Pyridinone c9000037  
1462 C5H5NO 2-Pyridinol c109104  
1463 C5H5NO 3(2H)-Pyridinone c9000004  
1464 C5H5NO 3(4H)-Pyridinone c9000026  
1465 C5H5NO 3(6H)-Pyridinone c9000015  
1466 C5H5NO 3-Pyridinol c109002  
1467 C5H5NO 4(1H)-Pryidinone c9000060  
1468 C5H5NO 4(3H)-Pryidinone c9000059  
1469 C5H5NO 4-Pyridinol c626642  
1470 C6H5OH phenol phenol  
1471 C6H6O 2,4-Cyclohexadienone c24599573  
1472 C6H6O 2,5-Cyclohexadienone c5664335  
1473 C6H5SH Benzenethiol phsh  
1474 HO2CCHNH2CH2OH Serine serine  
1475 C5H8O2 Acetylacetone acac  
1476 C4H8O2S Sulfolane sulfolane  
1477 CH(C2H3)3 trivinyl methane tvm  
1478 C6H10O cyclohexanone chexo  
1479 C6H12O hexanal c6h12o  
1480 C3H7OC3H7 di-n-propyl ether propr  
1481 CF3COCl trifluoroacetyl chloride cf3cocl  
1482 PF6- Hexafluorophosphate ion pf6-  
1483 SeF6 Selenium hexafluoride sef6  
1484 SF5Cl sulfur chloropentafluoride sf5cl  
1485 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1486 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1487 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1488 CCl3CHCl2 pentachloroethane ccl3chcl2  
1489 C6H5F Fluorobenzene bzf  
1490 C6H5Cl chlorobenzene bzcl  
1491 C6H5Br bromobenzene bzbr  
1492 C8H6 Calicene calicene  
1493 C6H5CCH phenylacetylene phac  
1494 C8H6 benzocyclobutadiene bcbd  
1495 C8H6 Pentalene pentalene  
1496 C6H5CHCH2 Styrene styrene  
1497 C8H8 cyclooctatetraene cot  
1498 C6H5CH2CH3 Ethylbenzene etbz  
1499 CH3C6H4CH3 meta-xylene mxylene  
1500 CH3C6H4CH3 paraxylene pxylene  
1501 C8H14 Bicyclo[2.2.2]octane bico222  
1502 C8H16 cyclooctane cyclooct  
1503 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1504 C8H18 Octane c8h18  
1505 C6H5CN phenyl cyanide phcn  
1506 C6H12N2 Triethylenediamine ted  
1507 C4O4-- squarate dianion c4o4--  
1508 S8 Octasulfur s8  
1509 C6H4O2 parabenzoquinone pbq  
1510 C4H4N2O2 Uracil uracil  
1511 C6H5OCH3 Anisole anisole  
1512 C5H9NO2 Proline proline  
1513 C6H12O2 Methyl pivalate c598981  
1514 C6H12O2 Hexanoic acid hexa  
1515 C4F4 tetrafluorcyclobutadiene c4f4  
1516 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1517 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1518 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1519 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1520 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1521 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1522 C2F6 hexafluoroethane c2f6  
1523 IF7 Iodine heptafluoride if7  
1524 C6H4F2 metadifluorobenzene mdfb  
1525 C6H4F2 orthodifluorobenzene odfb  
1526 C6H4Cl2 1,3-dichlorobenzene dcb13  
1527 C9H8 Indene indene  
1528 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1529 C9H12 n-propyl benzene prbz  
1530 C(CN)4 tetracyanomethane c5n4  
1531 C5H4N4 purine purine  
1532 C8H7N Indole indole  
1533 C3H3N3O3 cyanuric acid cyanuric  
1534 C6H5NO2 Nitrobenzene c6h5no2  
1535 C6H5COOH benzoic acid benzo  
1536 CH3COC6H5 acetophenone acph  
1537 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1538 C6H3F3 Benzene trifluoride 123 bzf3a  
1539 C10H8 Azulene azu  
1540 C10H16 adamantane adamantane  
1541 C6N4 Tetracyanoethylene tcne  
1542 C6N4- tetracyanoethylene anion tcne-  
1543 C10H22 Decane decane  
1544 C4F6 perfluorobutadiene c4f6  
1545 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1546 C3F8 perfluoropropane c3f8  
1547 Fe(CO)5 Iron pentacarbonyl ipc  
1548 Fe(C5H5)2 ferrocene fecp2  
1549 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1550 C12H8 Acenaphthylene acenaph  
1551 C12H10 biphenyl biphenyl  
1552 C12H10 Heptalene heptalene  
1553 C6H12O6 Inositol inositol  
1554 C6F6 hexafluorobenzene c6f6  
1555 C14H10 Anthracene anth  
1556 C14H10 Phenanthrene phenanthrene  
1557 C12H10N2 azobenzene azobenzene  
1558 C16H10 Pyrene pyrene  
1559 C18H12 Tetracene tetracene  
1560 C24H12 Coronene coronene  
1561 C60 Buckminsterfullerene c60