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Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
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III.F.1. (I.A.4.)

List of which calculations are completed at MP2=FULL /daug-cc-pVTZ

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 1ΣgD∞h
4 H2- hydrogen diatomic anion 2Σu+D∞h
5 He Helium atom 1SKh
6 He Helium atom   
7 He+ Helium atom cation 2SKh
8 Li- Lithium atom anion 1SKh
9 LiH Lithium Hydride 1ΣC∞v
10 MgH magnesium monohydride 2ΣC∞v
11 ZnH+ Zinc, protonated   
12 Al- Aluminum atom anion 3PKh
13 Al+ Aluminum atom cation 1SKh
14 Ga Gallium atom 2P 
15 Ga- Gallium atom anion 3POh
16 Ga+ Gallium atom cation 1S 
17 GaH Gallium monohydride 1ΣC∞v
18 GaH+ Gallium monohydride cation 2ΣC∞v
19 AlH3- aluminum trihydride anion  C3v
20 C Carbon atom 3P0Kh
21 Si- Silicon atom anion 4SKh
22 Ge Germanium atom 3PKh
23 Ge- Germanium anion 4SKh
24 Ge+ Germanium cation 2PKh
25 CH Methylidyne 2Π1/2C∞v
26 SiH Silylidyne 2ΠC∞v
27 GeH germylidene 2ΠC∞v
28 CH2- methylene anion 2B1C2v
29 GeH2 germylene 1A1C2v
30 CH3 Methyl radical 2A1D3h
31 CH3- methyl anion 1A1C3v
32 SiH3 Silyl radical 2A1C3v
33 GeH3 Germyl radical 2A1C3v
34 GeH3+ germyl cation 1A1'D3h
35 CH4 Methane 1A1Td
36 SiH2D2 silane-d2   
37 SiH4 Silane 1A1Td
38 GeH4 Germane 1A1Td
39 SiH5+ Silane, protonated   
40 N Nitrogen atom 4SKh
41 As Arsenic atomic 4SKh
42 As- Arsenic anion 3PKh
43 As+ Arsenic cation 3PKh
44 PH phosphorus monohydride 3Σ-C∞v
45 AsH Arsenic monohydride 3ΣC∞v
46 NH2 Amino radical 2B1C2v
47 NH3 Ammonia 1A1C3v
48 PH3+ Phosphine cation 2A1C3v
49 AsH3 Arsine 1A1C3v
50 AsH3+ Arsine cation 2A1C3v
51 AsH4+ Arsonium   
52 NH4 Ammonium radical   
53 PH4 Phosphoranyl radical   
54 O Oxygen atom 3SKh
55 S Sulfur atom 3PKh
56 S Sulfur atom   
57 S- Sulfur atom anion 2PKh
58 Se Selenium atom 3PKh
59 Se- Selenium atom anion 2PKh
60 Se+ Selenium atom cation 4SKh
61 OH Hydroxyl radical 2ΠC∞v
62 OH- hydroxide anion 1ΣC∞v
63 OH+ hydoxyl cation 3ΣC∞v
64 HSe Selenium monohydride 2ΠC∞v
65 HSe- selenium monohydride anion 1ΣC∞v
66 HSe+ selenium monohydride cation 3ΣC∞v
67 H2O Water 1A1C2v
68 H2O- water anion 2A1C2v
69 H2O- water anion 2A'Cs
70 H2S Hydrogen sulfide 1A1C2v
71 H2Se Hydrogen selenide 1A1C2v
72 H2Se+ Hydrogen selenide cation 2B1C2v
73 H3Se+ Hydrogen Selenide, protonated 1A1C3v
74 F Fluorine atom 2PKh
75 F- Fluorine atom anion 1SKh
76 Cl Chlorine atom 2PKh
77 Cl- Chlorine atom anion 1SKh
78 Br Bromine atom 2PKh
79 Br- Bromine atom anion 1SKh
80 Br+ Bromine atom cation 3PKh
81 HF Hydrogen fluoride 1ΣC∞v
82 HF- hydrogen fluoride anion 2ΣC∞v
83 HF+ hydrogen fluoride cation 2ΠC∞v
84 HCl Hydrogen chloride 1ΣC∞v
85 HCl- hydrogen chloride anion 2ΣC∞v
86 HCl+ hydrogen chloride cation 2ΠC∞v
87 HBr hydrogen bromide 1ΣC∞v
88 HBr- hydrogen bromide anion 2ΣC∞v
89 HBr+ hydrogen bromide cation 2ΠC∞v
90 H2Br+ protonated hydrogen bromide 2A1C2v
91 Ne Neon atom   
92 HeLi+ Helium Lithium cation   
93 ArH+ Argon hydride cation 1ΣC∞v
94 NaLi lithium sodium 1ΣC∞v
95 Na2 Sodium diatomic 1ΣgD∞h
96 Na2- sodium diatomic anion 2ΣuD∞h
97 LiAl Lithium Aluminum   
98 HBBH Diborane(2) 3ΣGD∞h
99 B2H4 Diborane(4) D2d 1A1D2d
100 B2H6 Diborane 1AgD2h
101 B2H6+ Diborane cation   
102 GeC Germanium monocarbide 1ΣC∞v
103 SiGe Silicon Germanium   
104 C2H- Ethynyl anion 1ΣC∞v
105 C2H2 Acetylene 1ΣgD∞h
106 C2H2+ acetylene cation 2ΠuD∞h
107 C2H2+ acetylene cation   
108 Si2H2 disilyne   
109 Si2H2 disilyne   
110 Si2H2 disilyne   
111 Si2H2 disilyne   
112 CH3Li methyl lithium 1A1C3v
113 C2H3+ vinyl cation 1A1C2V bridging H
114 C2H3+ vinyl cation 1A1C2V HCCH2
115 C2H4 Ethylene 1AgD2h
116 Si2H4 Disilene   
117 Si2H4 Disilene   
118 Si2H4 Disilene   
119 C2H6 Ethane 1A1gD3d
120 Si2H6 disilane 1EuD3d
121 LiN Lithium Nitride 3ΣC∞v
122 LiP Lithium monophosphide   
123 LiP Lithium monophosphide   
124 MgN Magnesium Nitride   
125 GaAs Gallium arsenide 3Π 
126 GaAs Gallium arsenide 1Σ 
127 CN Cyano radical 2ΣC∞v
128 SiP Silicon monophosphide 2ΠC∞v
129 N2 Nitrogen diatomic 1ΣgD∞h
130 N2 Nitrogen diatomic   
131 N2- nitrogen diatomic anion 2ΠgD∞h
132 PN Phosphorus mononitride 1ΣC∞v
133 HCN Hydrogen cyanide 1ΣC∞v
134 HNC+ hydrogen isocyanide cation   
135 HCP+ Phosphaethyne cation   
136 NNH+ Dinitrogen monohydride cation 1ΣC∞v
137 LiNH2 lithium amide   
138 H2NN Isodiazene   
139 CH2NH Methanimine 1A'Cs
140 CH2NH+ Methanimine cation   
141 CHNH2 aminomethylene   
142 CHNH2+ Aminocarbene cation   
143 BH2NH2 Boranamine   
144 CH3NH2 methyl amine 1A'Cs
145 SiH3NH2 Silane, amino   
146 BH3PH3 borane phosphine   
147 BH3NH3 borane ammonia 1A1C3v
148 LiSe Lithium monoselenide   
149 GaO Gallium monoxide 2ΣC∞v
150 GaS Gallium monosulfide   
151 CO Carbon monoxide 1ΣC∞v
152 CO- carbon monoxide anion 2ΠC∞v
153 CO+ carbon monoxide cation 2ΣC∞v
154 SiO Silicon monoxide 1ΣC∞v
155 SiS silicon monosulfide 1ΣC∞v
156 CSe Carbon monoselenide 1ΣC∞v
157 GeO Germanium monoxide 1ΣC∞v
158 SiSe Silicon Monoselenide   
159 SiSe+ Silicon Monoselenide cation   
160 GeSe Germanium monoselenide   
161 NO Nitric oxide 2ΠC∞v
162 NO- nitric oxide anion 3ΣC∞v
163 PS phosphorus sulfide 2ΣC∞v
164 O2 Oxygen diatomic 3ΣgD∞h
165 O2- oxygen diatomic anion 2ΠD∞h
166 O2-- dioxygen dianion   
167 SO Sulfur monoxide 3ΣC∞v
168 SO Sulfur monoxide 1ΣC∞v
169 SO+ sulfur monoxide cation 2ΠC∞v
170 S2 Sulfur diatomic 3ΣgD∞h
171 SeO Selenium monoxide 3ΣC∞v
172 Se2 Selenium diatomic 3ΣgD∞h
173 BeOH beryllium monohydroxide 2A'Cs
174 HBS hydrogen boron sulfide 1ΣC∞v
175 COH Hydroxymethylidyne   
176 HCO Formyl radical 2A'Cs
177 HCO+ Formyl cation 1ΣC∞v
178 HNO Nitrosyl hydride 1A'Cs
179 HNO+ Nitrosyl hydride cation 2A'Cs
180 HSO+ Sulfur Monoxide, S-protonated   
181 SOH Sulfur Hydroxide   
182 SOH+ Sulfur Monoxide, protonated   
183 H2CO Formaldehyde 1A1C2v
184 H2CO- formaldehyde anion 2A'Cs
185 H2CO- formaldehyde anion   
186 H2CO+ formaldehyde cation 2B2C2v
187 H2CS Thioformaldehyde 1A1C2v
188 H2CSe Selenoformaldehyde   
189 H2O2 Hydrogen peroxide 1AC2
190 H2OO water oxide   
191 HOSH hydrogen thioperoxide   
192 H2Se2 hydrogen diselenide   
193 NH2OH hydroxylamine 1A'Cs
194 NH2OH+ Hydroxylamine cation   
195 NH2SH Thiohydroxylamine   
196 CH3OH Methyl alcohol 1A'Cs
197 CH3OH+ Methyl alcohol cation 2A"Cs
198 CH3SH Methanethiol 1A'Cs
199 SiH3OH silanol   
200 NH2OH2+ protonated hydroxylamine   
201 NH3OH+ N-protonated hydroxylamine   
202 LiF lithium fluoride 1ΣC∞v
203 LiCl lithium chloride 1ΣC∞v
204 NaF+ sodium fluoride cation 2ΣC∞v
205 LiBr Lithium Bromide 1ΣC∞v
206 LiF+ lithium fluoride cation 2ΠC∞v
207 BF Boron monofluoride 1ΣC∞v
208 AlF Aluminum monofluoride 1Σ+C∞v
209 GaF Gallium monofluoride 1ΣC∞v
210 AlBr Aluminum monobromide   
211 GaCl Gallium monochloride 1ΣGC∞v
212 GaBr Gallium monobromide   
213 CF Fluoromethylidyne 2ΠC∞v
214 SiCl Clorosilylidyne 2ΠC∞v
215 GeF Germanium monofluoride 2ΠC∞v
216 GeCl Germanium monochloride 2ΠC∞v
217 GeCl+ Germanium monochloride cation   
218 SiBr+ Silicon monobromide cation   
219 PBr Phosphorus monobromide   
220 ClO Monochlorine monoxide 2ΠC∞v
221 ClO+ chlorine monoxide cation 3ΣC∞v
222 SF Monosulfur monofluoride 2ΠC∞v
223 SF+ sulfur monofluoride cation 3ΣC∞v
224 SCl+ sulfur monochloride cation 3ΣgC∞v
225 BrO Bromine monoxide 2ΠC∞v
226 BrO+ Bromine monoxide cation   
227 SBr Sulfur monobromide radical   
228 SBr+ Sulfur monobromide cation   
229 SeBr Selenium monobromide   
230 BrCl Bromine monochloride 1ΣC∞v
231 F2 Fluorine diatomic 1ΣgD∞h
232 F2- flourine diatomic anion 2ΣuD∞h
233 F2+ flourine diatomic cation 2ΠgD∞h
234 ClF+ clorine monofluoride cation 2ΠC∞v
235 Cl2 Chlorine diatomic 1ΣgD∞h
236 Cl2+ chlorine diatomic cation 2ΠgD∞h
237 BrF Bromine monofluoride 1ΣC∞v
238 Br2 Bromine diatomic 1ΣgD∞h
239 Br2- bromine diatomic anion 2ΣuD∞h
240 Br2+ bromine diatomic cation 2ΠgD∞h
241 HCF Fluoromethylene 1A'Cs
242 HCF Fluoromethylene 3A"Cs
243 HSiF fluorosilylene   
244 HSiCl Chlorosilylene   
245 HSiBr monobromosilylene   
246 HOF Hypofluorous acid 1A'Cs
247 HOCl hypochlorous acid 1A'Cs
248 HOCl+ hypochlorous acid cation   
249 ClFH+ Chlorine fluoride, F-protonated   
250 FClH+ Chlorine fluoride, Cl-protonated   
251 CH2Br bromomethyl radical   
252 CH2F+ fluoromethyl cation   
253 CH2Cl+ chloromethyl cation   
254 CH2Cl chloromethyl radical 2A'Cs
255 CH2Cl chloromethyl radical 2B1C2v
256 NH2Cl chloramine 1A'Cs
257 CH3F+ methyl fluoride cation   
258 CH3F Methyl fluoride 1A1C3v
259 CH3Cl Methyl chloride 1A1C3v
260 CH3Cl+ Methyl chloride cation   
261 SiH3F monofluorosilane 1A1C3v
262 SiH3Cl chlorosilane 1A1C1
263 CH3Br methyl bromide 1A1C3v
264 GeH3F monofluorogermane   
265 GeH3Cl monochlorogermane   
266 NH3Cl+ protonated monochloroammonia   
267 NH4Cl Ammonium chloride   
268 Ar2 Argon diatomic 1SgD∞h
269 SiC2 Silicon dicarbide   
270 C3H4 cyclopropene 1A1C2v
271 CH2CCH2 allene 1A1D2d
272 CH3CCH propyne 1A'C3v
273 C3H6 Cyclopropane 1A1'D3h
274 CH2CHCH3 Propene 1A'Cs
275 C3H7 n-Propyl radical 2A"C1
276 C3H8 Propane 1A1C2v
277 Si3H8 trisilane   
278 AlCN Aluminum monocyanide   
279 AlNC Aluminum isocyanide   
280 CNN Diazocarbene   
281 HN3 hydrogen azide 1A'Cs
282 HN3+ Hydrazoic acid cation   
283 HNCNH diiminomethane 1AC2
284 HNNNH+ 1,2-Triazadienium   
285 NH2NN+ hydrazoic acid, protonated   
286 CH3CN Acetonitrile 1A1C3v
287 CH3CN- acetonitrile anion 2EC3v
288 CH3CN- acetonitrile anion 2A'Cs
289 HCNCH2+ 2H-Azirine cation   
290 NH2CNH+ cyanamide, cn protonated   
291 NH3CN+ cyanamide, amine protonated   
292 Na2S Sodium sulfide   
293 Na2S Sodium sulfide   
294 LiO2 Lithium dioxide   
295 NaO2 Sodium superoxide   
296 N2O Nitrous oxide 1ΣC∞v
297 CO2 Carbon dioxide 1ΣgD∞h
298 OCS Carbonyl sulfide 1ΣC∞v
299 CS2 Carbon disulfide 1ΣgD∞h
300 GeO2 Germanium dioxide 1ΣgD∞h
301 OCSe Carbonyl selenide 1ΣC∞v
302 SCSe Carbon sulfide selenide   
303 NO2 Nitrogen dioxide 2A1C2v
304 NSO sulfinyl amidogen   
305 SNO Nitrogen oxide sulfide   
306 SO2 Sulfur dioxide 1A1C2v
307 SSO Disulfur monoxide 1A'Cs
308 S3 Sulfur trimer 1A1C2v
309 SeO2 Selenium dioxide 1A1C2v
310 HCCO ketenyl radical 2ΠC∞v
311 HCCO ketenyl radical 2A"Cs
312 HCNO fulminic acid 1ΣC∞v
313 HOCO Hydrocarboxyl radical 1A'cis
314 HOCO Hydrocarboxyl radical 1A'trans
315 O3H+ protonated ozone 1A'Cs
316 O3H+ protonated ozone   
317 C2H2O Oxirene 1A1C2v
318 CH2CO Ketene 1A1C2v
319 CH2CS Thioketene   
320 HCOOH Formic acid 1A'Cs
321 HCOOH Formic acid   
322 BH3CO Borane carbonyl 1A1C3v
323 NHCHSH Methanimidothioic acid   
324 C2H4O Ethylene oxide 1A1C2v
325 C2H4O+ ethylene oxide cation   
326 CH3CHO Acetaldehyde 1A'Cs
327 CH3CHO+ acetaldehyde cation   
328 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
329 C2H4S Thiirane 1A1C2v
330 CH3CHS Thioacetaldehyde 1A'C1
331 NH2CHOH+ Formamide, O-protonated   
332 CH3SSH Hydrogen methyl disulfide   
333 HSCH2SH Methanedithiol   
334 CH3CH2OH Ethanol 1A'Cs
335 CH3OCH3 Dimethyl ether 1A1C2v
336 CH3CH2SH ethanethiol 1A'Cs
337 CH3CH2SH ethanethiol 1AC1
338 CH3SCH3 Dimethyl sulfide 1A1C2v
339 BrCN Cyanogen bromide 1ΣC∞v
340 FBO Boron monofluoride monoxide   
341 BeBr2 Beryllium bromide   
342 FNO Nitrosyl fluoride 1A'Cs
343 ClNO Nitrosyl chloride 1A'Cs
344 CF2 Difluoromethylene 1A1D∞h
345 SiF2 Silicon difluoride 1A1C2v
346 GeCl2 Germanium dichloride 1A1C2v
347 FOO+ Fluorine dioxide cation   
348 OClO Chlorine dioxide 2B1D∞h
349 BrOO Bromine dioxide   
350 PF2 Phosphorus difluoride   
351 PF2+ Phosphorus difluoride cation   
352 SF2 sulfur difluoride 1A1C2v
353 SeF2 Selenium difluoride   
354 SeCl2 Selenium Dichloride   
355 SBr2 Sulfur dibromide   
356 SeBr2 Selenium dibromide   
357 Br3- tribromide anion   
358 SFCl Sulfur chloride fluoride   
359 HCCF Fluoroacetylene 1ΣC∞v
360 CHF2 difluoromethyl radical 2ACs
361 CHF2+ difluoromethyl cation   
362 CHFCl Chlorofluoromethyl radical   
363 CHFCl+ Chlorofluoromethyl cation   
364 CHCl2+ dichloromethyl cation   
365 NHF2 difluoramine   
366 NHCl2 dichloroamine   
367 CH2F2 Methane, difluoro- 1A1C2v
368 SiH2F2 difluorosilane   
369 CH2Cl2 Methylene chloride 1A1C2v
370 CH2BrCl Methane, bromochloro- 1A'Cs
371 CH2Br2 dibromomethane 1A1C2v
372 CH3MgBr Methyl Magnesium Bromide   
373 CH2CHF Ethene, fluoro- 1A'Cs
374 CH2FOH fluoromethanol   
375 C2H5Br Ethyl bromide 1A'Cs
376 C4 Carbon tetramer 3ΣgD∞h
377 C4 Carbon tetramer   
378 C4H2+ diacetlyene cation 2ΠgD∞h
379 C4H4 Tetrahedrane   
380 As4 Arsenic tetramer 1A1Td
381 H2CNCN cyanamide, methylene   
382 HNCCNH Ethenediimine   
383 C2H5CN ethyl cyanide 1A'Cs
384 H2NCHCHNH2 diaminoethylene   
385 N(SiH3)3 trisilylamine   
386 Na2O2 disodium dioxide   
387 ONNO NO dimer 1Agtrans C2H
388 ONNO NO dimer 1A1cis C2V
389 SO3 Sulfur trioxide 1A1'D3h
390 SO3-- Sulfate dianion   
391 S4 Sulfur tetramer   
392 S4 Sulfur tetramer   
393 S4 Sulfur tetramer   
394 HNO3 Nitric acid 1A'Cs
395 C3H2O Propadienal   
396 C3H2O Propadienal   
397 C2H2O2 Ethanedial 1AgC2h
398 CH3NCO methylisocyante   
399 H3AlO3 Aluminum hydroxide   
400 CH2CHCHO Acrolein 1A'Cs
401 CH2CHCHO Acrolein   
402 CH2C(OH)NH2 1-amino vinyl alchohol   
403 CH3C(OH)=NH Ethaninidic acid   
404 CH3CSNH2 Ethanethioamide   
405 CH3CH2CHO Propanal 1A'Cs
406 CH3COCH3 Acetone 1A1C2v
407 CH3SOCH3 Dimethyl sulfoxide 1A'Cs
408 C3H7OH 1-Propanol   
409 Li2F2 Lithium fluoride dimer   
410 CF2O Carbonic difluoride 1A1C2v
411 CF2O+ Carbonic difluoride cation   
412 BF3+ boron trifluoride cation   
413 BCl3 Borane, trichloro- 1A1'D3h
414 BCl3+ Boron Trichloride cation   
415 GaF3 Gallium trifluoride 1A1'D3h
416 CF2Cl difluorochloromethyl radical   
417 CFCl2 dichlorofluoromethyl radical   
418 SSCl2 Thiothionyl chloride   
419 NF3 Nitrogen trifluoride 1A1C3v
420 NBr3 Nitrogen Tribromide 1A1C3v
421 CHF3 Methane, trifluoro- 1A1C3v
422 SiHF3 trifluorosilane   
423 CHBrF2 Methane, bromodifluoro- 1A'Cs
424 CHFClBr fluorochlorobromomethane 1AC1
425 CHBrCl2 Methane, bromodichloro- 1A'Cs
426 CHBr2F dibromofluoromethane   
427 C2H4F2 1,2-difluoroethane 1AgC2H anti
428 C2H4F2 1,2-difluoroethane 1AC2 gauche
429 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
430 CH2CHCH2F Allyl Fluoride   
431 CH2CHCH2F Allyl Fluoride   
432 CH3CHCHF trans-1-Fluoro-1-propene   
433 CH2FCH2CH3 1-Fluoropropane   
434 CH3CHClCH3 Propane, 2-chloro- 1A'Cs
435 C5H4 pentatetraene   
436 C3O2 Carbon suboxide 1ΣGD∞h
437 B2O3 diboron trioxide   
438 B2O3 diboron trioxide   
439 CHOOCHO diformyl ether   
440 C3H3NO Isoxazole 1A'Cs
441 C3H3NS Thiazole   
442 C4H4O Furan 1A1C2
443 C4H4Se selenophene   
444 C4H10O Ethoxy ethane 1A1C2v
445 CF3Cl Methane, chlorotrifluoro- 1A1C3v
446 CF2Cl2 difluorodichloromethane 1A1C2v
447 CF3Br Bromotrifluoromethane 1A1C3v
448 GeF4 Germanium tetrafluoride 1A1Td
449 CCl4 Carbon tetrachloride 1A1Td
450 CBr2ClF dibromochlorofluoromethane   
451 SF4 Sulfur tetrafluoride 1A1C2v
452 CHF2CH2F Ethane, 1,1,2-trifluoro 1AC1
453 C2H2N2O Furazan   
454 C6H6 Prismane   
455 C6H6 Benzene 1A1gD6h
456 C6H6 Dewar Benzene   
457 N3P3 1,3,5,2,4,6-Triazatriphosphorine   
458 C3H2O3 vinylene carbonate   
459 C4H8O2 Ethyl acetate 1A'Cs
460 PF5 Phosphorus pentafluoride 1A1'D3h
461 C5H4O2 furfural 1A'OCCO cis
462 C5H4O2 furfural 1A'OCCO trans
463 SF6 Sulfur Hexafluoride 1A1GOh
464 C8H8 cubane 1A1GOh
465 C6H5CHO benzaldehyde 1A'Cs
466 B12H12-- Dodecahydrododecaborate(2-)   

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 cation h2+  
7 HD Deuterium hydride hd  
8 H3+ hydrogen trimer cation h3+  
9 He- Helium atom anion he-  
10 HeH Helium hydride heh  
11 HeH+ Helium hydride cation heh+  
12 He2+ helium diatomic cation he2+  
13 Li Lithium atom li  
14 Li+ Lithium atom cation li+  
15 Na Sodium atom na  
16 Na- Sodium atom anion na-  
17 Na+ Sodium atom cation na+  
18 K Potassium atom k  
19 K- Potassium atom anion k-  
20 K+ Potassium atom cation k+  
21 Cu Copper atom cu  
22 Cu- Copper atom anion cu-  
23 Cu+ Copper atom cation cu+  
24 LiH- lithium hydride anion lih-  
25 LiH+ lithium hydride cation lih+  
26 NaH sodium hydride nah  
27 NaH- sodium hydride anion nah-  
28 NaH+ sodium hydride cation nah+  
29 KH Potassium hydride kh  
30 KH+ Potassium hydrogen cation kh+  
31 CuH Copper monohydride cuh  
32 Be Beryllium atom be  
33 Be- Beryllium atom anion be-  
34 Be+ Beryllium atom cation be+  
35 Mg Magnesium atom mg  
36 Mg- Magnesium atom anion mg-  
37 Mg+ Magnesium atom cation mg+  
38 Ca Calcium atom ca  
39 Ca- Calcium atom anion ca-  
40 Ca+ Calcium atom cation ca+  
41 Zn Zinc atom zn  
42 Zn- Zinc atom anion zn-  
43 Zn+ Zinc atom cation zn+  
44 BeH beryllium monohydride beh  
45 BeH- berylium monohydride anion beh-  
46 BeH+ beryllium monohydride cation beh+  
47 MgH- magnesium monohydride anion mgh-  
48 MgH+ magnesium monohydride cation mgh+  
49 CaH Calcium monohydride cah  
50 CaH+ Calcium monohydride cation cah+  
51 TiH Titanium monohydride tih  
52 ZnH Zinc monohydride znh  
53 BeH2 beryllium dihydride beh2  
54 BeH2+ Beryllium dihydride cation beh2+  
55 MgH2 magnesium dihydride mgh2  
56 CaH2 Calcium Hydride cah2  
57 ZnH2 Zinc hydride znh2  
58 B Boron atom b  
59 B- Boron atom anion b-  
60 B+ Boron atom cation b+  
61 Al Aluminum atom al  
62 Sc Scandium atom sc  
63 Sc+ Scandium cation sc+  
64 BH Boron monohydride bh  
65 BH- boron monohydride anion bh-  
66 BH+ boron monohydride cation bh+  
67 AlH aluminum monohydride alh  
68 AlH- aluminum monohydride anion alh-  
69 AlH+ aluminum monohydride cation alh+  
70 ScH Scandium monohydride sch  
71 ScH+ Scandium monohydride cation sch+  
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 BH3+ boron trihydride cation bh3+  
81 AlH3 aluminum trihydride alh3  
82 AlH3+ aluminum trihydride cation alh3+  
83 ScH3 Scandium trihydride sch3  
84 GaH3 Gallium trihydride gah3  
85 BH4 borohydride bh4  
86 BH4- borohydride anion bh4-  
87 AlH4- Aluminum tetrahydride anion alh4-  
88 C- Carbon atom anion c-  
89 C+ Carbon atom cation c+  
90 Si Silicon atom si  
91 Si+ Silicon atom cation si+  
92 Ti Titanium atom ti  
93 Ti- Titanium atom anion ti-  
94 Ti+ Titanium atom cation ti+  
95 Sn Tin atom sn  
96 Sn+ Tin cation sn+  
97 CH- methylidyne anion ch-  
98 CH+ Methylidyne cation ch+  
99 SiH- silicon monohydride anion sih-  
100 SiH+ silicon monohydride cation sih+  
101 GeH+ Germaniun monohyrdide cation geh+  
102 CH2 Methylene ch2  
103 CH2+ methylene cation ch2+  
104 SiH2 silicon dihydride sih2  
105 SiH2- silicon dihydride anion sih2-  
106 SiH2+ silicon dihydride cation sih2+  
107 GeH2- germylene anion geh2-  
108 CH3+ methyl cation ch3+  
109 SiH3- Silyl anion sih3-  
110 SiH3+ Silyl cation sih3+  
111 CD4 methane-d4 cd4  
112 CH2D2 methane-d2 ch2d2  
113 CH3D methane-d ch3d  
114 CH4- Methane anion ch4-  
115 CH4+ Methane cation ch4+  
116 CHD3 methane-d3 chd3  
117 SiH4+ Silane cation sih4+  
118 SnH4 Stannane snh4  
119 N- Nitrogen atom anion n-  
120 N+ Nitrogen atom cation n+  
121 P Phosphorus atom p  
122 P- Phosphorus atom anion p-  
123 P+ Phosphorus atom cation p+  
124 V Vanadium atom v  
125 V+ Vanadium atom cation v+  
126 Sb Antimony atom sb  
127 NH Imidogen nh  
128 NH- Imidogen anion nh-  
129 NH+ imidogen cation nh+  
130 PH- phosphorus monohydride anion ph-  
131 PH+ phosphorus monohydride cation ph+  
132 AsH+ Arsenic monohydride cation ash+  
133 SbH Antimony monohydride sbh  
134 ND2 Amidogen-d2 nd2  
135 NH2- amino anion nh2-  
136 NH2+ Amino cation nh2+  
137 PH2 Phosphino radical ph2  
138 PH2- Phosphino anion ph2-  
139 PH2+ Phosphino cation ph2+  
140 AsH2 Arsenic dihydride ash2  
141 AsH2+ Arsenic dihydride cation ash2+  
142 ND3 Ammonia-d3 nd3  
143 NH3- Ammonia anion nh3-  
144 NH3+ ammonia cation nh3+  
145 PH3 Phosphine ph3  
146 SbH3 Stibine sbh3  
147 NH4+ ammonium cation nh4+  
148 PH4+ phosphonium cation ph4+  
149 O- Oxygen atom anion o-  
150 O+ Oxygen atom cation o+  
151 S+ Sulfur atom cation s+  
152 Cr Chromium atom cr  
153 Te Tellurium atom te  
154 Te+ Tellurium atom cation te+  
155 DO Hydroxyl-d od  
156 DS Mercapto-d ds  
157 HS Mercapto radical hs  
158 HS- mercapto anion sh-  
159 HS+ sulfur monohydride cation sh+  
160 CrH Chromium hydride crh  
161 CrH+ Chromium hydride cation crh+  
162 TeH Telluryl radical teh  
163 D2O Deuterium oxide d2o  
164 H2O+ water cation h2o+  
165 HDO Water-d1 hdo  
166 D2S Hydrogen sulfide-d2 d2s  
167 H2S- Hydrogen sulfide anion h2s-  
168 H2S+ Hydrogen sulfide cation h2s+  
169 H2Te Hydrogen Telluride h2te  
170 H3O+ hydronium cation h3o+  
171 H3S+ Sulfonium cation h3s+  
172 F+ Fluorine atom cation f+  
173 Cl+ Chlorine atom cation cl+  
174 Mn Manganese atom mn  
175 I Iodine atom iodine  
176 I- Iodine atom anion iodine-  
177 I+ Iodine atom cation iodine+  
178 DF Hydrofluoric acid-d df  
179 DCl Hydrochloric acid-d dcl  
180 HI Hydrogen iodide hi  
181 HI+ Hydrogen iodide cation hi+  
182 H2F+ dihydrogen fluoride cation h2f+  
183 H2Cl+ dihydrogen monochloride cation h2cl+  
184 H2I+ Iodonium h2i+  
185 Ne Neon atom ne  
186 Ne- Neon atom anion ne-  
187 Ne+ Neon atom cation ne+  
188 Ar Argon atom ar  
189 Ar- Argon atom anion ar-  
190 Ar+ Argon atom cation ar+  
191 Fe Iron atom fe  
192 Kr Krypton atom kr  
193 Kr+ Krypton cation kr+  
194 Xe Xenon atom xe  
195 NeH neon hydrogen neh  
196 NeH+ neon hydrogen cation neh+  
197 KrH+ Protonated Krypton krh+  
198 XeH+ Xenon, protonated xeh+  
199 H2Ar H2 Ar dimer h2ar  
200 Co Cobalt atom cobalt  
201 Ni Nickel atom ni  
202 Li2 Lithium diatomic li2  
203 Li2- lithium diatomic anion li2-  
204 Li2+ lithium diatomic cation li2+  
205 NaLi- lithium sodium anion lina-  
206 NaLi+ lithium sodium cation lina+  
207 LiK Lithium Potassium lik  
208 Na2+ sodium diatomic cation na2+  
209 NaK Sodium Potassium nak  
210 NaK+ Sodium Potassium diatomic cation nak+  
211 K2 Potassium diatomic k2  
212 Cu2 Copper diatomic cu2  
213 LiBe Lithium Beryllium libe  
214 LiMg Lithium magnesium limg  
215 NaBe Sodium Beryllium nabe  
216 NaMg Sodium Magnesium namg  
217 Be2 Beryllium diatomic be2  
218 Be2- Beryllium diatomic anion be2-  
219 Be2+ Beryllium diatomic cation be2+  
220 BeMg Beryllium Magnesium bemg  
221 Mg2 Magnesium diatomic mg2  
222 Mg2- magnesium diatomic anion mg2-  
223 Mg2+ magnesium diatomic cation mg2+  
224 Ca2 Calcium diatomic ca2  
225 LiB Lithium boride lib  
226 NaAl Sodium aluminum naal  
227 BeB Beryllium monoboride beb  
228 B2 Boron diatomic b2  
229 B2- Boron diatomic anion b2-  
230 B2+ Boron diatomic cation b2+  
231 BAl Boron Aluminum bal  
232 Al2 Aluminum diatomic al2  
233 Al2- aluminum diatomic anion al2-  
234 Al2+ aluminum diatomic cation al2+  
235 BGa Boron Gallium bga  
236 AlGa Aluminum Gallium alga  
237 Ga2 Gallium diatomic ga2  
238 LiBH4 Lithium borohydride libh4  
239 HBHHBH Diborane(4) C2V hbhhbh  
240 Al2H6 dialane al2h6  
241 Ga2H6 digallane ga2h6  
242 LiC Lithium Carbide lic  
243 BeC Beryllium Carbide bec  
244 CaC Calcium monocarbide cac  
245 BC boron monocarbide bc  
246 BC- boron monocarbide anion bc-  
247 BC+ boron monocarbide cation bc+  
248 AlC Aluminum carbide alc  
249 BSi Boron silicide bsi  
250 C2 Carbon diatomic c2  
251 C2- carbon diatomic anion c2-  
252 C2+ carbon diatomic cation c2+  
253 SiC silicon monocarbide sic  
254 SiC- silicon monocarbide anion sic-  
255 SiC+ silicon monocarbide cation sic+  
256 Si2 Silicon diatomic si2  
257 Si2- silcon diatomic anion si2-  
258 Si2+ silcon diatomic cation si2+  
259 Ge2 Germanium diatomic ge2  
260 C2H Ethynyl radical c2h  
261 C2H+ Ethynyl cation c2h+  
262 ZnCH2 Zinc methylene znch2  
263 CCH2 vinylidene vinylidene  
264 H2CC- vinylidene anion h2cc-  
265 HCCH- acetylene anion c2h2-  
266 CuCH3 monomethyl copper cuch3  
267 ZnCH3 Zinc monomethyl znch3  
268 CH2BH methyleneborane ch2bh  
269 C2H3 vinyl c2h3  
270 C2H3- vinyl anion c2h3-  
271 C2H4- Ethylene anion c2h4-  
272 C2H4+ Ethylene cation c2h4+  
273 CH3CH methylmethylene ch3ch  
274 CH2SiH2 silaethylene ch2sih2  
275 CH3BH2 methylborane ch3bh2  
276 C2H5 Ethyl radical c2h5  
277 C2H5- Ethyl anion c2h5-  
278 C2H5+ Ethyl cation c2h5+  
279 C2H6+ ethane cation c2h6+  
280 CH3SiH3 methyl silane ch3sih3  
281 GeH3CH3 methyl germane geh3ch3  
282 C2H7+ Ethane, protonated c2h7+  
283 LiN+ Lithium Nitride cation lin+  
284 BeN Beryllium mononitride ben  
285 BeN- Beryllium mononitride anion ben-  
286 BeN+ Beryllium mononitride cation ben+  
287 BN- boron nitride anion bn-  
288 AlN- aluminum mononitride anion aln-  
289 AlN+ aluminum mononitride cation aln+  
290 BP Boron monophosphide bp  
291 AlP Aluminum monophosphide alp  
292 GaN Gallium mononitride gan  
293 GaP Gallium monophosphide gap  
294 BN boron nitride bn  
295 BN+ boron nitride cation bn+  
296 AlN Aluminum nitride aln  
297 CN- cyanide anion cn-  
298 CN+ Cyano cation cn+  
299 CP Carbon monophosphide cp  
300 CP- carbon monophosphide anion cp-  
301 CP+ carbon monophosphide cation cp+  
302 SiN Silicon nitride sin  
303 SiN- silicon mononitride anion sin-  
304 SiN+ silicon mononitride cation sin+  
305 SiP- Silicon monophosphide anion sip-  
306 SiP+ Silicon monophosphide cation sip+  
307 TiN Titanium mononitride tin  
308 N2+ diatomic nitrogen cation n2+  
309 PN- phosphorus nitride anion pn-  
310 PN+ phosphorus nitride cation pn+  
311 P2 Phosphorus diatomic p2  
312 P2- phosphorus diatomic anion p2-  
313 P2+ phosphorus diatomic cation p2+  
314 AsN Arsenic mononitride asn  
315 AsP Arsenic monophosphide asp  
316 SbN Antimony nitride sbn  
317 As2 Arsenic diatomic as2  
318 HNB hydrogen nitrogen boron hnb  
319 HNC hydrogen isocyanide hnc  
320 HCN- Hydrogen cyanide anion hcn-  
321 HCN+ hydrogen cyanide cation hcn+  
322 HCP Phosphaethyne hcp  
323 NNH Dinitrogen monohydride nnh  
324 HPO Hydrogen phosphorus oxide hpo  
325 HPO+ Hydrogen phosphorus oxide cation hpo+  
326 HBNH Boranimine hbnh  
327 CNH2 Aminomethylidyne radical cnh2  
328 CNH2+ N-protonated hydrogen isocyanide cnh2+  
329 H2CN Dihydrogen cyanide radical h2cn  
330 H2CN+ hydrocyanonium cation h2cn+  
331 HCNH methyleneazane hcnh  
332 HCNH+ N-protonated HCN hcnh+  
333 N2H2 (E)-diazene n2h2  
334 N2H2 (Z)-Diazene n2h2z  
335 N2H2+ trans-diazene cation n2h2+  
336 CH2PH Phosphaethene ch3p  
337 CH2NH2+ methyleneamine cation ch2nh2+  
338 N2H4 Hydrazine n2h4  
339 N2H4+ hydrazine cation n2h4+  
340 P2H4 Diphosphine p2h4  
341 CH3NH2+ methyl amine cation ch3nh2+  
342 CH3PH2 Methyl phosphine ch3ph2  
343 N2H5+ protonated hydrazine n2h5+  
344 CH3NH3 methyl ammonium radical ch3nh3  
345 CH3NH3+ protonated methylamine ch3nh3+  
346 CH3PH3+ methyl phosphine, protonated ch3ph3+  
347 NH3NH3 Ammonia Dimer nh3nh3  
348 N2H7+ ammonia ammonium dimer n2h7+  
349 LiO lithium oxide lio  
350 LiO- lithium oxide anion lio-  
351 LiO+ lithium oxide cation lio+  
352 LiS Lithium monosulfide lis  
353 LiS+ Lithium sulfide cation lis+  
354 NaO sodium monoxide nao  
355 NaO- sodium oxide anion nao-  
356 NaO+ sodium oxide cation nao+  
357 KO Potassium monoxide ko  
358 KO+ Potassium monoxide cation ko+  
359 NaS Sodium sulfide nas  
360 CuO Copper Monoxide cuo  
361 BeO beryllium oxide beo  
362 BeO- Beryllium monoxide anion beo-  
363 BeO+ Beryllium monoxide cation beo+  
364 BeS beryllium sulfide bes  
365 MgO magnesium oxide mgo  
366 MgO- magnesium oxide anion mgo-  
367 MgO+ magnesium oxide cation mgo+  
368 CaO Calcium monoxide cao  
369 MgS magnesium sulfide mgs  
370 MgS- magnesium sulfide anion mgs-  
371 MgS+ magnesium sulfide cation mgs+  
372 CaS Calcium sulfide cas  
373 ZnO zinc monoxide zno  
374 ZnS Zinc sulfide zns  
375 BeS- Beryllium monosulfide anion bes-  
376 BeS+ Beryllium monosulfide cation bes+  
377 BO boron monoxide bo  
378 BO- boron monoxide anion bo-  
379 AlO Aluminum monoxide alo  
380 AlO- Aluminum monoxide anion alo-  
381 AlO+ aluminum monoxide cation alo+  
382 BS boron sulfide bs  
383 BS- boron monosulfide anion bs-  
384 BS+ boron monosulfide cation bs+  
385 AlS Aluminum sulfide als  
386 AlS- aluminum monosulfide anion als-  
387 AlS+ aluminum monosulfide cation als+  
388 ScO Scandium monoxide sco  
389 BO+ boron monoxide cation bo+  
390 CS carbon monosulfide cs  
391 CS- carbon monosulfide anion cs-  
392 CS+ carbon monosulfide cation cs+  
393 SiO- silicon monoxide anion sio-  
394 SiO+ silicon monoxide cation sio+  
395 SiS- silicon monosulfide anion sis-  
396 SiS+ silicon monosulfide cation sis+  
397 TiO Titanium monoxide tio  
398 CSe- Carbon monoselenide anion cse-  
399 CSe+ Carbon monoselenide cation cse+  
400 GeO+ Germanium monoxide cation geo+  
401 GeS Germanium monosulfide ges  
402 NO+ nitric oxide cation no+  
403 NS Mononitrogen monosulfide ns  
404 NS- nitrogen sulfide anion ns-  
405 NS+ nitrogen sulfide cation ns+  
406 PO Phosphorus monoxide po  
407 PO- phosphorus monoxide anion po-  
408 PO+ phosphorus monoxide cation po+  
409 PS- phosphorus monosulfide anion ps-  
410 PS+ phosphorus monosulfide cation ps+  
411 VO Vanadium monoxide vo  
412 AsO Arsenic monoxide aso  
413 NSe Nitrogen monoselenide nse  
414 AsS Arsenic monosulfide ass  
415 PSe Phosphorus monoselenide pse  
416 AsSe Arsenic monoselenide asse  
417 O2+ diatomic oxygen cation o2+  
418 SO- sulfur monoxide anion so-  
419 S2- sulfur diatomic anion s2-  
420 S2+ sulfur diatomic cation s2+  
421 SeO- selenium monoxide anion seo-  
422 SeO+ selenium monoxide cation seo+  
423 SeS Selenium monosulfide ses  
424 SeS- selenium monosulfide anion ses-  
425 SeS+ selenium monosulfide cation ses+  
426 TeO Tellurium monoxide teo  
427 Se2- selenium diatomic anion se2-  
428 Se2+ selenium diatomic cation se2+  
429 Te2 Tellurium diatomic te2  
430 LiOH lithium hydroxide lioh  
431 NaOH sodium hydroxide naoh  
432 KOH Potassium hydroxide koh  
433 MgOH magnesium hydroxide mgoh  
434 CaOH Calcium monohydroxide caoh  
435 HBO Boron hydride oxide hbo  
436 COH+ Carbon Monoxide, protonated coh+  
437 HCO- formyl anion hco-  
438 HCS Thioformyl radical hcs  
439 HCS- Thioformyl anion hcs-  
440 HCS+ Thioformyl cation hcs+  
441 HNO- Nitrosyl hydride anion hno-  
442 NOH Hydroxyimidogen noh  
443 NOH+ O-protonated nitric oxide noh+  
444 HNS Sulfur imide hns  
445 HNS- Sulfur imide anion hns-  
446 HO2 Hydroperoxy radical ho2  
447 HO2- Hydroperoxy anion ho2-  
448 HO2+ Hydroperoxy cation ho2+  
449 HS2 Thiosulfeno radical hs2  
450 HOCH hydroxycarbene hoch  
451 H2CS- thioformaldehyde anion h2cs-  
452 H2CS+ thioformaldehyde cation h2cs+  
453 H2NO nitroxide h2no  
454 H2O2+ Hydrogen peroxide cation h2o2+  
455 H2S2 Disulfane h2s2  
456 H2S2+ hydrogen disulfide cation h2s2+  
457 CH2OH Hydroxymethyl radical ch2oh  
458 CH2OH+ hydroxymethyl cation ch2oh+  
459 CH3O Methoxy radical ch3o  
460 CH3O- methoxy anion ch3o-  
461 CH3O+ Methoxy cation ch3o+  
462 CH3S thiomethoxy ch3s  
463 H2CSH+ Thioformaldehyde, protonated h2csh+  
464 NH3O Ammonia Oxide nh3o  
465 H2POH Phosphinous acid h2poh  
466 H3PO Phosphine oxide h3po  
467 NH3S sulfidoazane nh3s  
468 H3O2+ hydrogen peroxide, protonated h3o2+  
469 CH3OH- Methyl alcohol anion ch3oh-  
470 CH3SH+ Methanethiol cation ch3sh+  
471 CH3SeH Methane selenol ch3seh  
472 H2OH2O water dimer h2oh2o  
473 CH3OH2+ Methanol, protonated ch3oh2+  
474 CH3SH2+ protonated methylsulfide ch3sh2+  
475 H2ONH3 Water Ammonia Dimer h2onh3  
476 H5O2+ Dihydroxonium ion h5o2+  
477 LiCl- lithium chloride anion licl-  
478 LiCl+ lithium chloride cation licl+  
479 NaF sodium fluoride naf  
480 NaF- sodium fluoride anion naf-  
481 KF Potassium Fluoride kf  
482 NaCl Sodium Chloride nacl  
483 NaCl- sodium chloride anion nacl-  
484 NaCl+ sodium chloride cation nacl+  
485 KCl Potassium Chloride kcl  
486 CuF Copper monofluoride cuf  
487 LiBr- lithium bromide anion libr-  
488 LiBr+ lithium bromide cation libr+  
489 CuCl Copper monochloride cucl  
490 NaBr Sodium Bromide nabr  
491 NaBr- sodium bromide anion nabr-  
492 NaBr+ sodium bromide cation nabr+  
493 KBr Potassium Bromide kbr  
494 LiI Lithium Iodide lii  
495 NaI Sodium Iodide nai  
496 KI Potassium Iodide ki  
497 LiF- lithium fluoride anion lif-  
498 BeF Beryllium monofluoride bef  
499 BeF- Beryllium monofluoride anion bef-  
500 BeF+ Beryllium monofluoride cation bef+  
501 BeCl beryllium monochloride becl  
502 MgF Magnesium monofluoride mgf  
503 MgF- magnesium fluoride anion mgf-  
504 MgF+ magnesium fluoride cation mgf+  
505 CaF Calcium monofluoride caf  
506 MgCl magnesium monochloride mgcl  
507 MgCl- magnesium monochloride anion mgcl-  
508 MgCl+ magnesium monochloride cation mgcl+  
509 CaCl calcium monochloride cacl  
510 TiCl Titanium Monochloride ticl  
511 ZnF Zinc monofluoride znf  
512 ZnF- Zinc monofluoride anion znf-  
513 ZnF+ Zinc monofluoride cation znf+  
514 ZnCl Zinc monochloride zncl  
515 CaBr Calcium monobromide cabr  
516 BeCl- beryllium monochloride anion becl-  
517 BeCl+ beryllium monochloride cation becl+  
518 BF- Boron monofluoride anion bf-  
519 BF+ Boron monofluoride cation bf+  
520 AlF- Aluminum monofluoride anion alf-  
521 AlF+ Aluminum monofluoride cation alf+  
522 BCl boron monochloride bcl  
523 BCl- boron monochloride anion bcl-  
524 BCl+ boron monochloride cation bcl+  
525 AlCl Aluminum monochloride alcl  
526 AlCl- aluminum monochloride anion alcl-  
527 AlCl+ aluminum monochloride cation alcl+  
528 ScF Scandium monofluoride scf  
529 BBr Boron monobromide bbr  
530 GaF+ Gallium monofluoride cation gaf+  
531 GaCl+ Gallium monochloride cation gacl+  
532 AlI Aluminum monoiodide ali  
533 CF- carbon monofluoride anion cf-  
534 CF+ carbon monofluoride cation cf+  
535 CCl carbon monochloride ccl  
536 CCl- carbon monochloride anion ccl-  
537 CCl+ carbon monochloride cation ccl+  
538 SiF silicon monofluoride sif  
539 SiF- silicon monofluoride anion sif-  
540 SiF+ silicon monofluoride cation sif+  
541 SiCl- silicon monochloride anion sicl-  
542 SiCl+ silicon monochloride cation sicl+  
543 CBr Carbon monobromide cbr  
544 GeF+ Germanium monofluoride cation gef+  
545 SiBr Silicon monobromide sibr  
546 NF nitrogen fluoride nf  
547 NF- nitrogen monofluorine anion nf-  
548 NF+ nitrogen monofluoirde cation nf+  
549 NCl nitrogen monochloride ncl  
550 NCl- nitrogen monochloride anion ncl-  
551 NCl+ nitrogen monochloride cation ncl+  
552 PF phosphorus monofluoride pf  
553 PF- phosphorus monofluoride anion pf-  
554 PF+ phosphorus monofluoride cation pf+  
555 PCl phosphorus chloride pcl  
556 PCl- phosphorus monochloride anion pcl-  
557 PCl+ phosphorus monochloride cation pcl+  
558 AsF Arsenic monofluoride asf  
559 NBr nitrogen monobromide nbr  
560 AsCl Arsenic monochloride ascl  
561 SbF Antimony monofluoride sbf  
562 SbCl Antimony monochloride sbcl  
563 FO Oxygen monofluoride fo  
564 FO- flourine oxide anion fo-  
565 FO+ fluorine monoxide cation fo+  
566 ClO- chlorine monoxide anion clo-  
567 SF- sulfur monofluoride anion sf-  
568 SCl sulfur monochloride scl  
569 SCl- sulfur monochloride anion scl-  
570 BrO- Bromine monoxide anion bro-  
571 SeF Selenium monofluoride sef  
572 SeCl Selenium monochloride secl  
573 IO Iodine monoxide io  
574 ClF Chlorine monofluoride clf  
575 ClF- clorine monofluoride anion clf-  
576 Cl2- chlorine diatomic anion cl2-  
577 BrF- bromine fluoride anion brf-  
578 BrF+ bromine fluoride cation brf+  
579 BrCl- bromine chloride anion brcl-  
580 BrCl+ bromine chloride cation brcl+  
581 IF Iodine monofluoride if  
582 ICl Iodine monochloride icl  
583 IBr Iodine monobromide ibr  
584 I2 Iodine diatomic i2  
585 I2+ Iodine diatomic cation i2+  
586 HCCl Chloromethylene hccl  
587 CHBr bromomethylene chbr  
588 DOCl Hypochlorous acid-d docl  
589 HOBr Hypobromous acid hobr  
590 HOBr+ Hypobromous acid cation hobr+  
591 HOI Hypoiodous acid hoi  
592 F2H+ Fluorine, protonated f2h+  
593 FHF Hydrogen difluoride fhf  
594 FHF- Hydrogen difluoride anion fhf-  
595 Cl2H+ Chlorine, protonated cl2h+  
596 CH2F fluoromethyl radical ch2f  
597 NH2F monofluoroamine nh2f  
598 H2F2 Hydrogen fluoride dimer h2f2  
599 CD3F methylfluoride-d3 cd3f  
600 CD3Cl methyl chloride d3 cd3cl  
601 SiH3Br bromosilane sih3br  
602 CH3I methyl iodide ch3i  
603 SiH3I Silyl Iodide sih3i  
604 CH3ClH+ methyl chloride, protonated ch3clh+  
605 LiNe+ Lithium Neon cation line+  
606 Ne2 Neon diatomic ne2  
607 Ne2+ Neon diatomic cation ne2+  
608 Ar2+ Argon diatomic cation ar2+  
609 Li3 Lithium trimer li3  
610 Li3+ Lithium trimer cation li3+  
611 C3 carbon trimer c3  
612 C3+ carbon trimer cation c3+  
613 C3H3 cyclopropenyl radical cpr  
614 C3H3 Propargyl radical propargyl  
615 C3H3- Propargyl anion c3h3-  
616 C3H3+ cyclopropenyl cation cpr+  
617 C3H3+ Propargyl cation c3h3+  
618 C3H5 Allyl radical allyl  
619 C3H5+ Allyl cation allyl+  
620 CH3CHCH 1-propenyl radical ch3chch  
621 Zn(CH3)2 dimethyl zinc dmz  
622 C3H7+ cyclopropane, protonated c3h7+  
623 CH3CHCH3 Isopropyl radical isopropyl  
624 CH3CHCH3+ Isopropyl cation prop2yl+  
625 SiH2(CH3)2 dimethylsilane dms  
626 LiCN lithium cyanide licn  
627 NaCN Sodium Cyanide nacn  
628 KCN Potassium cyanide kcn  
629 CuCN Copper cyanide cucn  
630 ZnCN Zinc monocyanide zncn  
631 ZnNC Zinc isocyanide znnc  
632 CN2 3H-Diazirin-3-ylidene cn2  
633 NCN Cyanoimidogen ncn  
634 N3 azide radical n3  
635 N3- azide anion n3-  
636 N3+ azide cation n3+  
637 HCCN cyanomethylene hccn  
638 HCNN diazomethyl radical hcnn  
639 CH2N2 diazirine ch2n2  
640 CH2NN diazomethane ch2nn  
641 NH2CN cyanamide cyanamide  
642 CH3CN+ Acetonitrile cation ch3cn+  
643 CH3NC methyl isocyanide ch3nc  
644 CHNCH2 2H-Azirine c157164  
645 CHNHCH 1H-Azirine chnhch  
646 H2CCNH Ethenimine ch2cnh  
647 H2CNCH methyleneaminomethylene ch2nch  
648 HCCNH2 Ethynamine hccnh2  
649 HNCNH2+ diiminomethane, protonated hncnh2+  
650 NCNH3+ Cyanamide, protonated ncnh3+  
651 CH2CHNH vinylazine ch2chnh  
652 CH3CHN methylmethaniminyl radical ch3chn  
653 NHCHNH2 aminomethanimine cn2h4  
654 C2H5N Aziridine c2h5n  
655 CH2CHNH2 aminoethene aminoethene  
656 CH2NCH3 N-methylmethanimine nmm  
657 CH3CHNH ethanimine ethanimine  
658 NH2BHNH2 diaminoborane nh2bhnh2  
659 C2H5NH+ Protonated Aziridine c2h5nh+  
660 C2H6N+ aziridine, protonated c2h6n+  
661 NH2CH2NH2 diaminomethane nh2ch2nh2  
662 CH3CH2NH2 Ethylamine etam  
663 CH3NHCH3 Dimethylamine ch3nhch3  
664 CH3PHCH3 dimethylphosphine ch3phch3  
665 NH2CH2NH3+ diaminoethane, protonated pdam  
666 (CH3)2NH2+ dimethylammonium cation dmam  
667 CH3CH2NH3+ ethylamine, protonated pea  
668 Li2O dilithium oxide li2o  
669 Li2O+ dilithium oxide cation li2o+  
670 Li2S dilithium sulfide li2s  
671 Na2O disodium monoxide na2o  
672 CCO Dicarbon monoxide cco  
673 CNO- fulminate cno-  
674 NCO isocyanato radical nco  
675 NCO- cyanate nco-  
676 SCN thiocyanato radical scn  
677 SCN- thiocyanide anion scn-  
678 BO2 Boron dioxide bo2  
679 BO2- Boron dioxide anion bo2-  
680 BO2+ Boron dioxide cation bo2+  
681 N2O- Nitrous oxide anion n2o-  
682 N2O+ Nitrous oxide cation n2o+  
683 NNS Nitrogen sulfide nns  
684 PPO Phosphorus oxide phosphide ppo  
685 CO2- Carbon dioxide anion co2-  
686 CO2+ Carbon dioxide cation co2+  
687 OCS+ Carbonyl sulfide cation cos+  
688 SiO2 silicon dioxide sio2  
689 CS2- Carbon disulfide anion cs2-  
690 CS2+ Carbon disulfide cation cs2+  
691 TiO2 Titanium dioxide tio2  
692 SiS2 Silicon disulfide sis2  
693 GeS2 Germanium disulfide ges2  
694 CSe2 Carbon diselenide cse2  
695 SCTe Carbon sulfide Telluride scte  
696 NO2- Nitrogen dioxide anion no2-  
697 NO2+ Nitrogen dioxide cation no2+  
698 PO2 Phosphorus dioxide po2  
699 PO2- Phosphorus dioxide anion po2-  
700 PO2+ Phosphorus dioxide cation po2+  
701 AsO2 Aresenic dioxide aso2  
702 O3 Ozone o3  
703 O3- Ozone anion o3-  
704 O3+ Ozone cation o3+  
705 SO2- Sulfur dioxide anion so2-  
706 SO2+ Sulfur dioxide cation so2+  
707 S3- Sulfur trimer anion s3-  
708 S3+ Sulfur trimer cation s3+  
709 SeO2+ Selenium dioxide cation seo2+  
710 TeO2 Tellurium Dioxide teo2  
711 CS2H+ Carbon disulfide, protonated cs2h+  
712 HNCO Isocyanic acid hnco  
713 HOCN cyanic acid hocn  
714 HNCS Isothiocyanic acid hncs  
715 HSCN thiocyanic acid hscn  
716 HCO2- formate anion hco2-  
717 HNNO nitrosoazane hnno  
718 HNNO+ Nitrous oxide, N-protonated hnno+  
719 NNOH+ Nitrous Oxide, O-protonated nnoh+  
720 HCOO formate neutral radical hcoo  
721 HOCO+ Hydrocarboxyl cation hoco+  
722 HNO2 Nitrous acid hno2  
723 HNO2+ nitrous acid cation hno2+  
724 SO2H+ protonated sulfur dioxide so2h+  
725 CH2CO+ Ketene cation ch2co+  
726 HCCOH ethynol hccoh  
727 Be(OH)2 Beryllium hydroxide beo2h2  
728 Mg(OH)2 Magnesium dihydroxide h2mgo2  
729 NH2NO Nitrosamide nh2no  
730 CH2O2 Dioxirane diox  
731 H2COO Dioxymethyl radical h2coo  
732 H2COO+ dioxymethyl cation h2coo+  
733 H2O3 Hydrogen trioxide h2o3  
734 HSSSH trisulfane hsssh  
735 NaOCH3 Sodium methoxide naoch3  
736 CH2BOH hydroxy(methylene)borane ch2boh  
737 CH3BO Borane, methyloxo- ch3bo  
738 CH2CHO Vinyloxy radical ch2cho  
739 CH2COH+ ketene, protonated ch2coh+  
740 CH3CO Acetyl radical ch3co  
741 CH3CO- Acetyl anion ch3co-  
742 CH3CO+ acetyl cation ch3co+  
743 CH2NOH formaldoxime ch2noh  
744 CH3NO nitrosomethane ch3no  
745 CHONH2 formamide formamide  
746 CNOH3 1,2-oxaziridine cnoh3  
747 HOCHNH hydroxymethylimine hochnh  
748 CHSNH2 thioformamide chsnh2  
749 CH2OOH CH2OOH radical ch2ooh  
750 CH3OO methylperoxy radical ch3oo  
751 CH3OO- methylperoxy anion ch3oo-  
752 CH3OO+ methylperoxy cation ch3oo+  
753 CH2CHOH ethenol ch2choh  
754 CH2CHSH Ethenethiol ch2chsh  
755 H2CONH2+ protonated formamide h2conh2+  
756 NH3CHO+ Formamide, N-Protonated nh3cho+  
757 CH2(OH)2 methanediol ch2o2h2  
758 CH3OOH Methyl peroxide ch3ooh  
759 H2OH2CO water formaldehyde dimer h2oh2co  
760 C2H4OH+ ethylene oxide, protonated c2h4oh+  
761 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
762 CH3CH2O Ethoxy radical ethoxy  
763 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
764 CH3CHOH+ acetaldehyde, protonated ch3choh+  
765 CH3OCH2 methoxymethyl radical ch3och2  
766 NH2CH2OH aminomethanol nh2ch2oh  
767 CH3SCH3+ dimethyl sulfide cation mesme+  
768 CH3SeCH3 dimethylselenide dmse  
769 CH3OHH2O methanol water dimer ch3ohh2o  
770 H2OCH3OH water methanol dimer h2och3oh  
771 CuF2 Copper difluoride cuf2  
772 ZnF2 Zinc difluoride znf2  
773 CNF iso cyanogen fluoride cnf  
774 FCN Cyanogen fluoride fcn  
775 ClCN chlorocyanogen clcn  
776 ICN Cyanogen iodide icn  
777 BeF2 Beryllium fluoride bef2  
778 MgF2 Magnesium fluoride mgf2  
779 BeCl2 Beryllium chloride becl2  
780 MgCl2 Magnesium dichloride mgcl2  
781 CaCl2 Calcium Chloride cacl2  
782 ZnCl2 Zinc dichloride zncl2  
783 CaBr2 Calcium dibromide cabr2  
784 CaF2 Calcium difluoride caf2  
785 FCO Carbonyl fluoride fco  
786 FCO+ Carbonyl fluoride cation fco+  
787 ClCO carbonyl monochloride clco  
788 BF2 Boron difluoride radical bf2  
789 FNS Thionitrosyl fluoride fns  
790 FSN Thiazyl fluoride fsn  
791 OPCl Phosphorus oxychloride opcl  
792 BrNO Nitrosyl bromide brno  
793 INO Nitrosyl iodide ino  
794 CF2- Difluoromethylene anion cf2-  
795 CF2+ Difluoromethylene cation cf2+  
796 CFCl chlorofluoromethylene cfcl  
797 SiF2+ Silicon difluoride cation sif2+  
798 CCl2 dichloromethylene ccl2  
799 CCl2- dichloromethylene anion ccl2-  
800 CCl2+ dichloromethylene cation ccl2+  
801 SiCl2 Dichlorosilylene sicl2  
802 GeF2 Germanium difluoride gef2  
803 CBr2 dibromomethylene cbr2  
804 FOO Dioxygen monofluoride radical foo  
805 ClOO chloroperoxy radical cloo  
806 ClOO+ chloroperoxy cation cloo+  
807 OClO- Chlorine dioxide anion oclo-  
808 OClO+ Chlorine dioxide cation oclo+  
809 ClSO Sulfur chloride oxide clso  
810 ClS2 Sulfur chloride cls2  
811 OBrO Bromine dioxide radical obro  
812 NF2 Difluoroamino radical nf2  
813 NF2+ Difluoroamino cation nf2+  
814 FClO chlorosyl fluoride fclo  
815 F2O Difluorine monoxide f2o  
816 ClOF Chlorine hypofluorite clof  
817 SF2- sulfur difluoride anion sf2-  
818 SF2+ sulfur difluoride cation sf2+  
819 Cl2O Dichlorine monoxide cl2o  
820 SCl2 Sulfur dichloride scl2  
821 BrOCl Bromine hypochlorite brocl  
822 BrOBr Bromine oxide brobr  
823 F3- trifluoride anion f3-  
824 Cl3- trichloride anion cl3-  
825 I3- triiodide i3-  
826 HCCF+ fluoroacetylene cation hccf+  
827 HCCCl Chloroacetylene hcccl  
828 HCCBr bromoacetylene hccbr  
829 HFCO formyl fluoride hfco  
830 HFCO+ formyl fluoride cation hfco+  
831 COHCl Formyl chloride cohcl  
832 COHBr Formyl bromide cohbr  
833 BHF2 Difluoroborane bhf2  
834 BHCl2 Borane, dichloro- bhcl2  
835 CHCl2 dichloromethyl radical chcl2  
836 CHBr2 dibromomethyl radical chbr2  
837 HOClO Chlorous acid hoclo  
838 CH2FCl fluorochloromethane ch2fcl  
839 CH2BrF Methane, bromofluoro- ch2fbr  
840 CH2FI fluoroiodomethane ch2fi  
841 CH2ClI chloroiodomethane ch2cli  
842 CH2BrI bromoiodomethane ch2bri  
843 CH2I2 Diiodomethane ch2i2  
844 SiH2Cl2 dichlorosilane sih2cl2  
845 CH2CHF+ fluoroethene cation ch2chf+  
846 C2H3Cl Ethene, chloro- ch2chcl  
847 C2H3Br vinyl bromide c2h3br  
848 C2H3I Vinyl iodide c2h3i  
849 CH3OCl methyl hypochlorite ch3ocl  
850 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
851 CHClCH3 1-chloroethyl radical chclch3  
852 C2H5F fluoroethane c2h5f  
853 CH3CH2Cl Ethyl chloride c2h5cl  
854 CH3SiFH2 fluoromethylsilane ch3sifh2  
855 C2H5I Ethyl iodide c2h5i  
856 KrF2 Krypton difluoride krf2  
857 XeF2 Xenon difluoride xef2  
858 B4H10 Tetraborane(10) b4h10  
859 C4+ Carbon tetramer cation c4+  
860 C4H2 Diacetylene c4h2  
861 C2H3CCH 1-Buten-3-yne c2h3cch  
862 C4H4 cyclobutadiene cbd  
863 H2CCCCH2 Butatriene h2cccch2  
864 C4H6 1-Methylcyclopropene c3100047  
865 C4H6 Cyclobutene c822355  
866 C4H6 Methylenecyclopropane c6142730  
867 CH2CCHCH3 1,2-Butadiene butad12  
868 CH2CHCHCH2 1,3-Butadiene c106990  
869 CH3CCCH3 2-Butyne c503173  
870 CHCCH2CH3 1-Butyne c107006  
871 CH3CHCHCH2 methylallyl radical c4h7  
872 C4H8 methylcyclopropane mcp  
873 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
874 CH2CHCH2CH3 1-Butene bute1  
875 CH3CHCHCH3 2-Butene, (E)- bute2e  
876 CH3CHCHCH3 2-Butene, (Z)- bute2z  
877 B(CH3)3 trimethylborane bme3  
878 Al(CH3)3 trimethyl aluminum tma  
879 C(CH3)3 Tert-butyl radical tbutyl  
880 CH2CH(CH3)2 Isobutyl radical isobutyl  
881 CH3CHCH2CH3 2-Butyl radical butyl2  
882 CH3CH(CH3)CH3 Isobutane isobutane  
883 CH3CH2CH2CH3 Butane butane  
884 SiH(CH3)3 trimethylsilane trimsi  
885 Li3N trilithium nitride li3n  
886 C2N2 Cyanogen c2n2  
887 C2N2+ Cyanogen cation c2n2+  
888 P4 Phosphorus tetramer p4  
889 HCCCN Cyanoacetylene hcccn  
890 HCCCN+ Cyanoacetylene cation hcccn+  
891 C3H3N acrylonitrile ch2chcn  
892 C3H3N+ acrylonitrile cation ch2chcn+  
893 CH3N3 methyl azide ch3n3  
894 NH2CCNH2 Diaminoacetylene daa  
895 NH2CH2CN Aminoacetonitrile aan  
896 CH3NHN2+ methyl azide, protonated ch3nhn2+  
897 CH5N3 Guanidine guanidine  
898 C4H6 Bicyclo[1.1.0]butane c157335  
899 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
900 CH6N3+ guanidinium ch6n3+  
901 C3H7N Cyclopropylamine cpram  
902 CH7N3 triaminomethane tam  
903 C3H7N Azetidine azet  
904 C4H8 cyclobutane cbutane  
905 C2H8N2 Ethylenediamine ethdiam  
906 CH3NHNHCH3 dimethyl hydrazine dmh  
907 CH3CH(NH2)CH3 2-Propanamine pram2  
908 N(CH3)3 Trimethylamine trimeam  
909 NH2CH2CH2CH3 1-Propanamine pram1  
910 P(CH3)3 trimethylphosphine tmp  
911 As(CH3)3 trimethyl arsine tmas  
912 (CH3)3NH+ protonated trimethyl amine ptma  
913 C3H7NH3+ n-propylamine, protonated c3h7nh2  
914 Li2O2 dilithium dioxide li2o2  
915 K2O2 dipotassium dioxide k2o2  
916 C3O Tricarbon monoxide c3o  
917 B2O2 Diboron dioxide b2o2  
918 S2N2 Disulfur dinitride s2n2  
919 CO3 Carbon trioxide co3  
920 CO3-- carbonate co3--  
921 CS3-- Carbonotrithioate cs3--  
922 NO3 Nitrogen trioxide no3  
923 NO3- nitrate anion no3-  
924 NO3+ nitrogen trioxide cation no3+  
925 SO3- Sulfur trioxide anion so3-  
926 SO3+ Sulfur trioxide cation so3+  
927 SeO3 selenium trioxide seo3  
928 TeO3 Tellurium trioxide teo3  
929 HCO3- bicarbonate anion hco3-  
930 HSO3 Hydroxysulfonyl radical hso3  
931 NH2NO2 nitramide nh2no2  
932 C2H2CO cyclopropenone c2h2co  
933 HCCCHO 2-propynal hcccho  
934 C2H2O2+ Ethanedial cation c2h2o2+  
935 H2CO3 Carbonic acid h2co3  
936 H2CS3 thiocarbonic acid h2cs3  
937 H2NO3+ Nitric Acid, Protonated h2no3+  
938 H2SO3 Sulfurous acid h2so3  
939 C2H3NO Nitrosoethylene c2h3no  
940 HOCH2CN cyanomethanol hoch2cn  
941 CH3COO- acetate anion ch3coo-  
942 CH3NO2 Methane, nitro- ch3no2  
943 CH3ONO Methyl nitrite ch3ono  
944 NH2COOH Carbamic acid nh2cooh  
945 H3BO3 Boric acid h3bo3  
946 H3CO3+ carbonic acid, protonated h3co3+  
947 C3H4O 2-Propyn-1-ol c107197  
948 C3H4O allenol c9000071  
949 C3H4O Cyclopropanone cpone  
950 C3H4O Methylketene c6004440  
951 NH2CONH2 Urea urea  
952 NH2CONH2+ Urea cation urea+  
953 NH2CSNH2 Thiourea thiourea  
954 C2H4O2 1,3-dioxetane c2h4o2  
955 CH3COOH Acetic acid ch3cooh  
956 CH3OCHO methyl formate ch3ocho  
957 CHOCH2OH hydroxy acetaldehyde haa  
958 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
959 NH3COOH+ protonated Carbamic acid nh3cooh+  
960 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
961 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
962 HCOOHH2O Formic acid water dimer hcoohh2o  
963 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
964 CH3COCH2 Acetonyl radical ch3coch2  
965 CH3CHNOH Acetaldoxime acetaldoxime  
966 CH3CONH2 Acetamide acetamide  
967 HCONHCH3 N-methylformamide nmfa  
968 CH5N2O+ urea, N-protonated ch4n2o+  
969 H2NCOHNH2+ urea, protonated ureah+  
970 C2H5OO ethylperoxy radical c2h5oo  
971 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
972 C3H5OH Cyclopropanol cproh  
973 C3H6O 2-Propen-1-ol c107186  
974 C3H6O Acetone enol enol  
975 C3H6O Oxetane oxetane  
976 C3H6O Propylene oxide prox  
977 CH3COCH3- acetone anion ch3coch3-  
978 C3H6S Thietane thietane  
979 C3H6S Thiirane, methyl- methiirane  
980 CH3CSCH3 Thioacetone ch3csch3  
981 C2H6O2 1,2-Ethanediol ethdiol  
982 CH3OOCH3 dimethylperoxide dmp  
983 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
984 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
985 CH3COHCH3+ acetone, protonated acetoneh+  
986 HOCH2CH2NH2 monoethanolamine mea  
987 CH3CHOHCH3 Isopropyl alcohol isoproh  
988 CH3OC2H5 Ethane, methoxy- etome  
989 C3H7SH 1-Propanethiol prsh  
990 CH3CHSHCH3 2-Propanethiol isoprsh  
991 CH3SCH2CH3 Ethane, (methylthio)- etsme  
992 H2OCH3OCH3 water dimethylether dimer h2och3och3  
993 Na2F2 Sodium Fluoride Dimer na2f2  
994 Na2Cl2 Disodium dichloride na2cl2  
995 C2F2 difluoroacetylene c2f2  
996 C2Cl2 dichloroacetylene c2cl2  
997 C2Cl2+ dichloroacetylene cation c2cl2+  
998 FNO2 Nitryl fluoride fno2  
999 FONO Nitrosyl hypofluorite fono  
1000 ClNO2 Nitryl chloride clno2  
1001 ClONO chlorine nitrite clono  
1002 BrONO Bromine nitrite brono  
1003 N2F2 (Z)-Difluorodiazene n2f2_z  
1004 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1005 COFCl Carbonic chloride fluoride cofcl  
1006 CCl2O Phosgene cl2co  
1007 Cl2CS Thiophosgene cl2cs  
1008 COBr2 Carbonic dibromide cobr2  
1009 BF3 Borane, trifluoro- bf3  
1010 BF3- Borane, trifluoro- anion bf3-  
1011 AlF3 Aluminum trifluoride alf3  
1012 BClF2 Chlorodifluoroborane bclf2  
1013 AlF2Cl Aluminum chloride difluoride alclf2  
1014 ScF3 Scandium trifluoride ScF3  
1015 AlFCl2 Aluminum dichloride fluoride alcl2f  
1016 AlCl3 Aluminum trichloride alcl3  
1017 GaCl3 Gallium trichloride gacl3  
1018 BBr3 Boron tribromide bbr3  
1019 AlBr3 Aluminum Bromide albr3  
1020 ClO3 Chlorine trioxide clo3  
1021 ClO3- chlorate anion clo3-  
1022 BrO3- Bromate anion bro3-  
1023 CF3 Trifluoromethyl radical cf3  
1024 CF3- Trifluoromethyl anion cf3-  
1025 CF3+ Trifluoromethyl cation cf3+  
1026 SiF3 Silicon trifluoride radical sif3  
1027 SiF3+ Silicon trifluoride cation sif3+  
1028 CCl3 Trichloromethyl radical ccl3  
1029 CCl3- Trichloromethyl anion ccl3-  
1030 CCl3+ Trichloromethyl cation ccl3+  
1031 SiCl3 trichlorosilyl radical sicl3  
1032 SiCl3+ trichlorosilyl cation sicl3+  
1033 CBr3 tribromomethyl radical cbr3  
1034 FOOF Perfluoroperoxide foof  
1035 ClO2F Chloryl fluoride clo2f  
1036 F2SO Thionyl Fluoride f2so  
1037 ClOOCl Dichlorine dioxide cloocl  
1038 FSSF Difluorodisulfane fssf  
1039 S2F2 Thio-thionyl fluoride s2f2  
1040 SOCl2 thionyl chloride socl2  
1041 SeOCl2 selenium oxychloride seocl2  
1042 NF3- Nitrogen trifluoride anion nf3-  
1043 NF3+ Nitrogen trifluoride cation nf3+  
1044 PF3 Phosphorus trifluoride pf3  
1045 NCl3 nitrogen trichloride ncl3  
1046 AsF3 Arsenic trifluoride asf3  
1047 PCl3 Phosphorus trichloride pcl3  
1048 SbF3 Antimony Trifluoride sbf3  
1049 AsCl3 Arsenous trichloride ascl3  
1050 SbCl3 Antimony Trichloride sbcl3  
1051 PBr3 Phosphorus tribromide pbr3  
1052 AsBr3 Arsenic tribromide asbr3  
1053 NI3 Nitrogen triiodide ni3  
1054 PI3 Phosphorus triiodide pi3  
1055 ClSSCl Disulfur dichloride s2cl2  
1056 SF3 Sulfur trifluoride sf3  
1057 ClF3 Chlorine trifluoride clf3  
1058 BrF3 Bromine trifluoride brf3  
1059 IF3 iodone trifluoride if3  
1060 HClO3 Chloric Acid hclo3  
1061 CHF2Cl difluorochloromethane chf2cl  
1062 CHFCl2 fluorodichloromethane chfcl2  
1063 CDCl3 trichloromethane-d cdcl3  
1064 CHCl3 Chloroform chcl3  
1065 SiHCl3 Trichlorosilane sihcl3  
1066 CHF2I difluoroiodomethane chf2i  
1067 CHFClI fluorochloroiodomethane chfcli  
1068 CHCl2I dichloroiodomethane chcl2i  
1069 CHClBr2 Methane, dibromochloro- chclbr2  
1070 CHBr3 bromoform chbr3  
1071 CHI3 Iodoform chi3  
1072 NF3H+ protonated nitrogen trifluoride nf3h+  
1073 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1074 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1075 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1076 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1077 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1078 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1079 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1080 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1081 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1082 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1083 C2H2Br2 1,1-dibromoethene c2h2br2  
1084 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1085 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1086 CH2FCHO Fluoroacetaldehyde ch2fcho  
1087 CH3COF Acetyl fluoride ch3cof  
1088 CH2ClCHO chloroacetaldehyde ch2clcho  
1089 CH3COCl Acetyl Chloride ch3cocl  
1090 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1091 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1092 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1093 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1094 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1095 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1096 CH2CFCH3 2-fluoropropene 2fpro  
1097 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1098 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1099 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1100 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1101 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1102 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1103 CH3CHFCH3 2-Fluoropropane prf2  
1104 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1105 CH3CH2CH2Br n-propyl bromide prbr  
1106 CH3CHBrCH3 i-propyl bromide iprbr  
1107 C3H9O+ trimethyl oxonium cation c3h9o+  
1108 B5H9 pentaborane9 b5h9  
1109 C5H5 cyclopentadienyl radical c5h5  
1110 C5H5- cylopentadienyl anion c5h5-  
1111 C5H6 1,3-Cyclopentadiene c542927  
1112 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1113 C5H6 3-Penten-1-yne, (E)- c2004695  
1114 C5H6 3-Penten-1-yne, (Z)- c1574409  
1115 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1116 C5H6 Cyclopropylacetylene c6746947  
1117 C5H6 Propellane propellane  
1118 C5H7 1,3-pentadienyl radical pdyl  
1119 C5H7 cyclopentenyl radical cpyl  
1120 C5H8 1,2-Butadiene, 3-methyl- c598254  
1121 C5H8 1,2-Pentadiene c591957  
1122 C5H8 1,3-Butadiene, 2-methyl- c78795  
1123 C5H8 1,3-Pentadiene, (E)- c2004708  
1124 C5H8 1,3-Pentadiene, (Z)- c1574410  
1125 C5H8 1,4-Pentadiene c591935  
1126 C5H8 1-pentyne a1pentyne  
1127 C5H8 2,3-Pentadiene c591968  
1128 C5H8 Bicyclo[1.1.1]pentane bcp  
1129 C5H8 Cyclobutane, methylene- c1120565  
1130 C5H8 Cyclopentene c142290  
1131 C5H8 Ethenylcyclopropane c693867  
1132 CH3CCCH2CH3 2-Pentyne 2pentyne  
1133 C5H10 1-Butene, 2-methyl- c563462  
1134 C5H10 2-Butene, 2-methyl- c513359  
1135 C5H10 2-Pentene, (E)- c646048  
1136 C5H10 2-Pentene, (Z)- c627203  
1137 C5H10 Cyclopentane c287923  
1138 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1139 CH2CHCH2CH2CH3 1-pentene pentene  
1140 C5H11 2-Methylbut-2-yl radical c4348350  
1141 C5H12 Butane, 2-methyl- buta2  
1142 C5H12 Pentane pentane  
1143 C5H12 Propane, 2,2-dimethyl- neopentane  
1144 Si(CH3)4 tetramethylsilane tms  
1145 N2O3 Dinitrogen trioxide n2o3  
1146 C3H2N2 Malononitrile c3h2n2  
1147 CH2N4 1H-Tetrazole 1htz  
1148 C3H3N2 imidazolyl radical im  
1149 C3H3N2- imidizolyl anion im-  
1150 C2H3N3 1H-1,2,4-Triazole c288880  
1151 C4H4N pyrrolide radical c4h4n  
1152 C4H4N- pyrrolide anion c4h4n-  
1153 C3H4N2 1H-Imidazole 1himidaz  
1154 C3H4N2 1H-Pyrazole 1hpyraz  
1155 C3H4N2 2H-Imidazole imid2h  
1156 C3H4N2 4H-Imidazole imid4h  
1157 C4H5N (E)-2-Butenenitrile c627269  
1158 C4H5N (Z)-2-Butenenitrile c1190767  
1159 C4H5N 2H-pyrrole pyrrole2  
1160 C4H5N 3H-pyrrole pyrrole3  
1161 C4H5N Cyclopropanecarbonitrile c5500210  
1162 C4H5N Pyrrole pyrrole  
1163 CH2CHCH2CN Allylcyanide ch2chch2cn  
1164 C4H6N+ pyrrole, alpha-protonated appyr  
1165 C4H6N+ pyrrole, beta-protonated bppyr  
1166 C4H6N+ pyrrole, protonated ppyr  
1167 C3H6N2 3-Aminopropionitrile c151188  
1168 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1169 CH3CH2CH2CN Butanenitrile c109740  
1170 C5H8 Bicyclo[2.1.0]pentane c185944  
1171 C5H8 Spiropentane c157404  
1172 C4H9N Cyclobutylamine cbam  
1173 C4H9N Pyrrolidine pyrrolidine  
1174 C3H10N2 1,2-Diaminopropane diampr12  
1175 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1176 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1177 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1178 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1179 NH(C2H5)2 diethylamine dea  
1180 NC4H12+ tetramethyl ammonium cation nc4h12+  
1181 C3O2+ Carbon suboxide cation c3o2+  
1182 MgCO3 Magnesium Carbonate mgco3  
1183 BeCO3 Beryllium Carbonate beco3  
1184 CaCO3 Calcium Carbonate caco3  
1185 ONONO Nitrosyl nitrite onono  
1186 PO4--- phosphate po4---  
1187 SO4-- sulfate so4--  
1188 HOONO2 peroxy nitric acid hoono2  
1189 HSO4- bisulfate anion hso4-  
1190 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1191 C3H2O2 Propiolic acid c3h2o2  
1192 CHOCOOH oxo acetic acid oaa  
1193 H2SO4 Sulfuric acid h2so4  
1194 H2SeO4 Selenic acid h2seo4  
1195 C3H3NO Oxazole oxazole  
1196 CH3C(O)OO acetyl peroxy radical ch3coo2  
1197 CH3NO3 Methyl nitrate ch3no3  
1198 H3PO4 Phosphoric Acid h3po4  
1199 C4H4O Furan furan  
1200 C4H4O+ Furan cation furan+  
1201 CH3COCCH 3-butyn-2-one c1423605  
1202 C4H4S Thiophene furans  
1203 C3H4O2 β–Propiolactone beta  
1204 C3H4O2 2-Propenoic acid propenoic2  
1205 C3H4O2 Methyl glyoxal megly  
1206 C3H4O2 propanedial propanedial  
1207 C3H4O2 propenalol propenalol  
1208 HOCHCCHOH allenediol aldiol  
1209 C2H4O3 1,2,3-trioxolane c2h4o3  
1210 C2H4O3 trioxolane124 triox  
1211 HOCH2COOH Hydroxyacetic acid hac  
1212 CH2CHCONH2 Acrylamide c79061  
1213 CH3OCH2CN Methoxyacetonitrile c1738369  
1214 CH5N3S Hydrazinecarbothioamide c79196  
1215 H2NCH2COOH Glycine glycine  
1216 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1217 C4H6O cis-2-butenal butenal2c  
1218 C4H6O Cyclobutanone cbutone  
1219 C4H6O Furan, 2,3-dihydro- furan23h  
1220 C4H6O Furan, 2,5-dihydro- furan25h  
1221 CH2CHOCHCH2 Vinyl ether vinylether  
1222 CHOCHCHCH3 2-Butenal butenal2  
1223 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1224 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1225 CH2CHSCHCH2 Divinyl sulfide divis  
1226 C2H6N2O Urea, methyl- c598505  
1227 C3H6O2 1,3-Dioxolane dioxolane  
1228 CH3CH2COOH Propanoic Acid propanoic  
1229 CH3COOCH3 methyl acetate aame  
1230 HCOOC2H5 Ethyl formate faee  
1231 C2H6O2S Dimethyl sulfone c67710  
1232 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1233 C3H7NO dimethylformamide dmf  
1234 C3H7NO Propanamide propanam  
1235 C2H3OC2H5 Ethene, ethoxy- c109922  
1236 C4H8O Cyclobutanol c2919235  
1237 C4H8O Furan, tetrahydro- thf  
1238 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1239 CH3COCH2CH3 2-Butanone buta2one  
1240 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1241 CHOCH2CH2CH3 Butanal butanal  
1242 C4H8S Thiophene, tetrahydro- tht  
1243 C3H8O2 1,3-Propanediol c504632  
1244 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1245 C3H8O2 Methane, dimethoxy- c109875  
1246 C3H8O2 Propylene glycol c57556  
1247 C3H8S2 1,3-Propanedithiol c109808  
1248 C4H10O 1-Butanol butanol1  
1249 C4H10O 1-Propanol, 2-methyl- c78831  
1250 C4H10O 2-Butanol, (.+/-.)- butanol2  
1251 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1252 C4H10O Methyl propyl ether meopr  
1253 C4H10O Propane, 2-methoxy- c598538  
1254 C4H10O+ 1-Butanol cation butanol1+  
1255 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1256 C2H5SC2H5 Diethyl sulfide etset  
1257 C4H9SH 1-Butanethiol bush  
1258 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1259 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1260 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1261 FNO3 Fluorine nitrate fno3  
1262 ClONO2 Chlorine nitrate clono2  
1263 BrONO2 Bromine nitrate brono2  
1264 TiCl4 Titanium tetrachloride ticl4  
1265 ClO4- perchlorate anion clo4-  
1266 BF4- tetrafluoroboron anion bf4-  
1267 ClFO3 Perchloryl fluoride clfo3  
1268 SO2F2 Sulfuryl fluoride so2f2  
1269 SO2Cl2 Sulfuryl chloride so2cl2  
1270 F3NO Nitrogen trifluoride oxide f3no  
1271 F3PO Phosphoryl fluoride pf3o  
1272 Cl3PO Phosphoryl chloride pcl3o  
1273 CF4 Carbon tetrafluoride cf4  
1274 SiF4 Silicon tetrafluoride sif4  
1275 TiF4 Titanium tetrafluoride tif4  
1276 CFCl3 Trichloromonofluoromethane cfcl3  
1277 CCl4+ Carbon tetrachloride cation ccl4+  
1278 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1279 SiCl4 Silane, tetrachloro- sicl4  
1280 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1281 CF3I trifluoroiodomethane cf3i  
1282 CBrCl3 Methane, bromotrichloro- cbrcl3  
1283 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1284 GeCl4 Germanium Tetrachloride gecl4  
1285 CBr2Cl2 dibromodichloromethane cbr2cl2  
1286 CCl3I trichloroiodomethane ccl3i  
1287 CFBr3 fluorotribromomethane cfbr3  
1288 CFClBrI fluorochlorobromoiodomethane cfclbri  
1289 CBr3Cl tribromochloromethane cbr3cl  
1290 CF2I2 difluorodiiodomethane cf2i2  
1291 CBr4 Carbon tetrabromide cbr4  
1292 CCl2I2 dichlorodiiodomethane ccl2i2  
1293 SiBr4 Silicon tetrabromide sibr4  
1294 CBr3I tribromoiododmethane cbr3i  
1295 GeBr4 Germanium tetrabromide gebr4  
1296 CI4 tetraiodomethane ci4  
1297 SiI4 silicon tetraiodide sii4  
1298 ClOF3 Chlorine trifluoride oxide clof3  
1299 SeF4 Selenium tetrafluoride sef4  
1300 SCl4 Sulfur tetrachloride scl4  
1301 C2HF3 Trifluoroethylene c2hf3  
1302 C2HF3+ Trifluoroethylene cation c2hf3+  
1303 CHClCCl2 Trichloroethylene chclccl2  
1304 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1305 HClO4 perchloric acid hclo4  
1306 HSO3F Fluorosulfonic acid hso3f  
1307 CF3OH trifluoromethanol cf3oh  
1308 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1309 CHClCCHCl 1,3-dichloroallene chclcchcl  
1310 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1311 CHCl2CHO dichloroacetaldehyde chcl2cho  
1312 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1313 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1314 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1315 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1316 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1317 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1318 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1319 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1320 NH3BCl3 Amminetrichloroboron nh3bcl3  
1321 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1322 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1323 C3H5ClO Oxirane, (chloromethyl)- c106898  
1324 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1325 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1326 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1327 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1328 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1329 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1330 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1331 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1332 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1333 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1334 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1335 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1336 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1337 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1338 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1339 C4H9F 1-fluorobutane butaf1  
1340 CH3CHFCH2CH3 2-fluorobutane butaf2  
1341 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1342 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1343 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1344 XeF4 Xenon tetrafluoride xef4  
1345 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1346 NH3BF3 Amminetrifluoroboron nh3bf3  
1347 C6H2 hexatriyne c6h2  
1348 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1349 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1350 C6H4 Benzyne benzyne  
1351 C6H5 phenyl phenyl  
1352 C6H5- phenyl anion phenyl-  
1353 C6H6 1,2,4,5-Hexatetraene ht1245  
1354 C6H6 2,4-Hexadiyne hexadiyne  
1355 C6H6 3,4-Dimethylenecyclobutene cb34m  
1356 C6H6 Benzvalene bv  
1357 C6H6 Hexa-1,5-diene-3-yne hdy153  
1358 C6H6 Trimethylenecycopropane tmcp  
1359 C6H6+ Benzene cation c6h6+  
1360 C6H7+ benzene, protonated c6h7+  
1361 C6H8 (E)-hexa-1,3,5-triene c821078  
1362 C6H8 (E)-hexa-2,3,4-triene c59660650  
1363 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1364 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1365 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1366 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1367 C6H8 3-Methylenecyclopentene c930267  
1368 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1369 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1370 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1371 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1372 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1373 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1374 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1375 C6H10 1,5-Hexadiene c592427  
1376 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1377 C6H10 1-Hexyne hexyne1  
1378 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1379 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1380 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1381 C6H10 2-Hexyne c764352  
1382 C6H10 3-Hexyne hexyne3  
1383 C6H10 cyclohexene cyclohexene  
1384 C6H10 Cyclopentene, 1-methyl- c693890  
1385 C6H10 Cyclopentene, 3-methyl- c1120623  
1386 C6H10 Cyclopentene, 4-methyl- c1759815  
1387 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1388 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1389 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1390 C6H12 (E)-2-Hexene e2hexene  
1391 C6H12 (E)-3-methylpent-2-ene c616126  
1392 C6H12 (E)-hex-3-ene e3hexene  
1393 C6H12 (Z)-3-methylpent-2-ene c922623  
1394 C6H12 (Z)-hex-2-ene z2hexene  
1395 C6H12 (Z)-hex-3-ene z3hexene  
1396 C6H12 2,3-dimethylbut-1-ene c563780  
1397 C6H12 2,3-dimethyl-but-2-ene tmeet  
1398 C6H12 3-methylenepentane c760214  
1399 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1400 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1401 C6H12 Cyclohexane cyclohexane  
1402 C6H12 Cyclopentane, methyl- c96377  
1403 C6H12 Ethylcyclobutane c4806615  
1404 C6H12 hex-1-ene hexene1  
1405 C6H14 Butane, 2,2-dimethyl- buta22  
1406 C6H14 Butane, 2,3-dimethyl- buta23  
1407 C6H14 Hexane hexane  
1408 C6H14 Pentane, 2-methyl- penta2  
1409 C6H14 Pentane, 3-methyl- penta3  
1410 C4N2 2-Butynedinitrile c4n2  
1411 C4H2N2 Fumaronitrile c4h2n2  
1412 C2H2N4 sym-tetrazine ttz  
1413 C3H3N3 1,3,5-Triazine triazine135  
1414 CH3N5 5-Aminotetrazole c4418615  
1415 C4H4N2 1,3-Diazine diazine13  
1416 C4H4N2 Pyrazine pyrazine  
1417 C4H4N2 Pyridazine pyridazine  
1418 C4H4N2 Succinonitrile c110612  
1419 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1420 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1421 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1422 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1423 C5H5N E-2,4-pentadienenitrile bdcn  
1424 C5H5N Pyridine pyridine  
1425 B3N3H6 borazine borazine  
1426 C6H6 Fulvene fulvene  
1427 C5H6N+ Pyridinium c5h6n  
1428 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1429 C5H7N (E)-2-Pentenenitrile c26294984  
1430 C5H7N (E)-3-Pentenenitrile c16529661  
1431 C5H7N (Z)-2-Pentenenitrile c25899507  
1432 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1433 C5H7N Cyclobutanecarbonitrile c4426113  
1434 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1435 C5H9N Butanenitrile, 2-methyl- c18936179  
1436 C5H9N Pentanenitrile c110598  
1437 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1438 C6H10 Bicyclo[3.1.0]hexane c285585  
1439 C5H11N Cyclopentanamine cypentam  
1440 C5H11N Piperidine piper  
1441 C4H12N2 1,2-Butanediamine c4426486  
1442 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1443 Li2CO3 Lithium Carbonate li2co3  
1444 Na2CO3 Sodium Carbonate na2co3  
1445 C2O4-- oxalate anion c2o4  
1446 MgSO4 Magnesium Sulfate mgso4  
1447 N2O4 Dinitrogen tetroxide n2o4  
1448 C2H2O4 Oxalic Acid oxalic  
1449 C2H3NO3 Oxamic acid oxamic  
1450 C4H4O2 2(5H)-Furanone furanone  
1451 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1452 C2H4N2O2 Oxalamide oxalamide  
1453 C2H4N2S2 Ethanedithioamide c79403  
1454 C2H4CO3 Ethylene carbonate etco3  
1455 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1456 C3H4S3 1,3-Dithiolane-2-thione c822388  
1457 C2H4O4 Formic acid dimer fadimer  
1458 C4H5NO 3-Methylisoxazole isox3m  
1459 C4H5NO Isoxazole, 5-methyl- c5765446  
1460 C4H5NS 4-Methylthiazole c693958  
1461 C2H5NO3 Nitric acid, ethyl ester c625581  
1462 C5H6O 2H-Pyran pyran2  
1463 C5H6O 2-methylfuran furan2m  
1464 C5H6O 3-Methylfuran furan3m  
1465 C5H6O Pentadienal pdal  
1466 C5H6S Thiophene, 2-methyl- c554143  
1467 C5H6S Thiophene, 3-methyl- c616444  
1468 C4H6O2 γ–Butyrolactone c96480  
1469 C4H6O2 2,3-Butanedione c431038  
1470 C4H6O2 2-Propenoic acid, methyl ester c96333  
1471 C4H6O2 Crotonic Acid crot  
1472 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1473 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1474 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1475 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1476 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1477 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1478 C4H6OS Vinyl sulfoxide c1115157  
1479 CH6N4S Carbonothioic dihydrazide thiacarb  
1480 C2H6N2O2 (E)-Azodioxymethane c37765154  
1481 C2H6N2O2 Dimethylnitroamine c4164287  
1482 C3H6O3 1,3,5-Trioxane trioxane  
1483 C3H6S3 1,3,5-Trithiane c3h6s3  
1484 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1485 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1486 C4H7NO 2-Pyrrolidinone c616455  
1487 C4H7NO Ethoxyacetonitrile etoaccn  
1488 C4H7NO Methacrylamide c79390  
1489 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1490 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1491 C3H7ONO Propyl nitrite prono  
1492 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1493 CH3CH(NH2)COOH Alanine alanine  
1494 CH3NHCH2COOH Sarcosine sarcosine  
1495 NH2CH2CH2COOH β–alanine betaalanine  
1496 NH2COOC2H5 Urethane urethane  
1497 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1498 C5H8O Cyclopentanone c120923  
1499 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1500 C5H8O Methyl cyclopropyl ketone c765435  
1501 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1502 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1503 NH2CONHC2H5 Urea, ethyl- c625525  
1504 C4H8O2 1,3-Dioxane dioxan13  
1505 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1506 C4H8O2 1,4-Dioxane dioxan14  
1507 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1508 C4H8OS s-Ethyl thioacetate c625605  
1509 C3H8O3 1,2,3-Propanetriol glycerin  
1510 C3H8O2S (Methylsulfonyl)ethane c594434  
1511 C4H9NO Butanamide c541355  
1512 C4H9NO Propanamide, 2-methyl- c563837  
1513 C5H10O 2-Butanone, 3-methyl- c563804  
1514 C5H10O 2H-Pyran, tetrahydro- c142687  
1515 C5H10O 2-methylbutyraldehyde 2meba  
1516 C5H10O 2-Pentanone mpk  
1517 C5H10O 3-Pentanone dek  
1518 C5H10O Cyclopentanol c96413  
1519 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1520 C5H10O Pentanal pal  
1521 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1522 C5H10S 3-Ethylthio-1-propene c5296628  
1523 C5H10S Cyclopentanethiol c1679078  
1524 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1525 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1526 C4H10O2 1,1-Dimethoxyethane c534156  
1527 C4H10O2 1,3-Butanediol budiol13  
1528 C4H10O2 1,4-Butanediol budiol14  
1529 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1530 C4H10OS Diethyl sulfoxide c70291  
1531 C4H10S2 1,4-Butanedithiol budisl14  
1532 C4H11NO Diethylhydroxylamine c3710847  
1533 C5H12O 1-Butanol, 2-methyl- c137326  
1534 C5H12O 1-Butanol, 3-methyl- c123513  
1535 C5H12O 1-Pentanol pentanol1  
1536 C5H12O 2-Butanol, 3-methyl- c598754  
1537 C5H12O 2-Pentanol peol2  
1538 C5H12O 3-Pentanol pentan3ol  
1539 C5H12O Butane, 1-methoxy- meobu  
1540 C5H12O Propane, 1-ethoxy- proet  
1541 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1542 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1543 C5H12S 1-Butanethiol, 3-methyl- c541311  
1544 C5H12S 1-Pentanethiol c110667  
1545 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1546 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1547 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1548 C5H12S Butane, 1-(methylthio)- c628295  
1549 C5H12S Ethyl propyl sulfide c4110503  
1550 C5H12S Propane, 2-(ethylthio)- c5145993  
1551 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1552 C4F2 difluorobutadiyne c4f2  
1553 ClCOClCO Oxalyl chloride oxcl  
1554 CF3CN Acetonitrile, trifluoro- cf3cn  
1555 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1556 B2F4 Diboron tetrafluoride b2f4  
1557 B2Cl4 Diboron tetrachloride b2cl4  
1558 C2F4 Tetrafluoroethylene c2f4  
1559 C2F4+ Tetrafluoroethylene cation c2f4+  
1560 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1561 CF2CCl2 difluorodichloroethylene cf2ccl2  
1562 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1563 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1564 C2FCl3 fluorotrichloroethene c2fcl3  
1565 C2Cl4 Tetrachloroethylene c2cl4  
1566 C2Br4 tetrabromoethene c2br4  
1567 CF3OF Trifluoromethylhypofluorite cf3of  
1568 SiF5- silicon pentafluoride anion sif5-  
1569 SOF4 Sulfur tetrafluoride oxide sof4  
1570 AsF5 Arsenic pentafluoride asf5  
1571 PCl5 Phosphorus pentachloride pcl5  
1572 SF5 Sulfur pentafluoride sf5  
1573 SF5+ pentafluoro sulfur cation sf5+  
1574 SbCl5 Antimony pentachloride sbcl5  
1575 BrF5 bromine pentafluoride brf5  
1576 ClF5 chlorinepentafluoride clf5  
1577 IF5 pentafluoroiodine if5  
1578 CF3CHO trifluoroacetaldehyde cf3cho  
1579 CCl3CHO trichloroacetaldehyde ccl3cho  
1580 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1581 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1582 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1583 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1584 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1585 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1586 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1587 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1588 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1589 CF3COOH trifluoroacetic acid cf3cooh  
1590 C4H3ClO Furan, 2-chloro fur2cl  
1591 C4H3ClO Furan,3-chloro fur3cl  
1592 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1593 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1594 C4H8Cl2 1,4-Dichlorobutane c110565  
1595 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1596 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1597 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1598 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1599 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1600 C5H11Cl Pentane, 1-chloro- pencl1  
1601 C4H8O2 Butanoic acid bua  
1602 C6H5CH2 benzyl radical benzyl  
1603 C7H7 cycloheptatrienyl radical c7h7  
1604 C7H7+ cycloheptatrienyl cation c7h7+  
1605 C6H5CH3 toluene toluene  
1606 C7H8 cycloheptatriene cht  
1607 C7H8 Norbornadiene norbor  
1608 C7H8 Quadricyclane qucy  
1609 C7H12 Norbornane nor  
1610 C7H14 cycloheptane c7h14  
1611 C7H16 2-methylhexane 2mhex  
1612 C7H16 3-methylhexane hex3m  
1613 C7H16 heptane heptane  
1614 CH(CN)3 tricyanomethane mecn3  
1615 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1616 C6H7N 2-Methylpyridine mp  
1617 C6H5NH2 aniline aniline  
1618 C6H13N 2-Methylpiperidine pip2m  
1619 C6H13N cyclohexanamine cham  
1620 C6H15N triethylamine tea  
1621 N2O5 Dinitrogen pentoxide n2o5  
1622 C4H2O3 Maleic Anhydride malan  
1623 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1624 C6H5O phenoxy radical phenoxy  
1625 C5H5NO 2(1H)-Pyridinone c72762006  
1626 C5H5NO 2(3H)-Pyridinone c9000048  
1627 C5H5NO 2(5H)-Pyridinone c9000037  
1628 C5H5NO 2-Pyridinol c109104  
1629 C5H5NO 3(2H)-Pyridinone c9000004  
1630 C5H5NO 3(4H)-Pyridinone c9000026  
1631 C5H5NO 3(6H)-Pyridinone c9000015  
1632 C5H5NO 3-Pyridinol c109002  
1633 C5H5NO 4(1H)-Pryidinone c9000060  
1634 C5H5NO 4(3H)-Pryidinone c9000059  
1635 C5H5NO 4-Pyridinol c626642  
1636 C6H5OH phenol phenol  
1637 C6H6O 2,4-Cyclohexadienone c24599573  
1638 C6H6O 2,5-Cyclohexadienone c5664335  
1639 C6H5SH Benzenethiol phsh  
1640 HO2CCHNH2CH2OH Serine serine  
1641 C5H8O2 Acetylacetone acac  
1642 C4H8O2S Sulfolane sulfolane  
1643 C7H10 Norbornene norbornene  
1644 CH(C2H3)3 trivinyl methane tvm  
1645 C6H10O cyclohexanone chexo  
1646 C6H12O hexanal c6h12o  
1647 C6H12O Oxepane oxepane  
1648 C3H7OC3H7 di-n-propyl ether propr  
1649 F2CCCF2 tetrafluoroallene pfa  
1650 CF3COO- trifluoro acetate anion cf3coo-  
1651 CF3COF trifluoroacetyl fluoride cf3cof  
1652 CF3COCl trifluoroacetyl chloride cf3cocl  
1653 PF6 Hexafluorophosphate neutral pf6  
1654 PF6- Hexafluorophosphate ion pf6-  
1655 SeF6 Selenium hexafluoride sef6  
1656 SF5Cl sulfur chloropentafluoride sf5cl  
1657 CF3CHF2 pentafluoroethane cf3chf2  
1658 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1659 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1660 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1661 CCl3CHCl2 pentachloroethane ccl3chcl2  
1662 C6H5F Fluorobenzene bzf  
1663 C6H5Cl chlorobenzene bzcl  
1664 C6H5Br bromobenzene bzbr  
1665 C8H6 Calicene calicene  
1666 C6H5CCH phenylacetylene phac  
1667 C8H6 benzocyclobutadiene bcbd  
1668 C8H6 Pentalene pentalene  
1669 C6H5CHCH2 Styrene styrene  
1670 C8H8 cyclooctatetraene cot  
1671 C6H5CH2CH3 Ethylbenzene etbz  
1672 CH3C6H4CH3 meta-xylene mxylene  
1673 CH3C6H4CH3 paraxylene pxylene  
1674 C8H14 Bicyclo[2.2.2]octane bico222  
1675 C8H16 cyclooctane cyclooct  
1676 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1677 C8H18 Octane c8h18  
1678 C6H5CN phenyl cyanide phcn  
1679 C6H12N2 Triethylenediamine ted  
1680 C4O4-- squarate dianion c4o4--  
1681 S4N4 Tetrasulfur tetranitride s4n4  
1682 S8 Octasulfur s8  
1683 C6H4O2 parabenzoquinone pbq  
1684 C4H4N2O2 Uracil uracil  
1685 C6H5OCH3 Anisole anisole  
1686 C5H9NO2 Proline proline  
1687 C6H12O2 Methyl pivalate c598981  
1688 C6H12O2 Hexanoic acid hexa  
1689 C4F4 tetrafluorcyclobutadiene c4f4  
1690 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1691 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1692 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1693 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1694 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1695 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1696 C2F6 hexafluoroethane c2f6  
1697 C2Cl6 hexachloroethane c2cl6  
1698 IF7 Iodine heptafluoride if7  
1699 C6H4F2 metadifluorobenzene mdfb  
1700 C6H4F2 orthodifluorobenzene odfb  
1701 C6H4F2 1,4-difluorobenzene pdfb  
1702 C6H4Cl2 1,2-dichlorobenzene dcb12  
1703 C6H4Cl2 1,3-dichlorobenzene dcb13  
1704 C6H4Cl2 1,4-dichlorobenzene dcb14  
1705 C6H5NO nitrosobenzene bzno  
1706 C9H8 Indene indene  
1707 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1708 C9H12 n-propyl benzene prbz  
1709 C9H20 Nonane nonane  
1710 C(CN)4 tetracyanomethane c5n4  
1711 C5H4N4 purine purine  
1712 C8H7N Indole indole  
1713 C3H3N3O3 cyanuric acid cyanuric  
1714 C6H5NO2 Nitrobenzene c6h5no2  
1715 C6H5COOH benzoic acid benzo  
1716 CH3COC6H5 acetophenone acph  
1717 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1718 C3F6 hexafluoropropene c3f6  
1719 C6H3F3 Benzene trifluoride 123 bzf3a  
1720 C8H18O 1-Octanol octanol  
1721 C10H8 Azulene azu  
1722 C10H8 naphthalene naph  
1723 C10H10 bullvalene bullv  
1724 C10H16 adamantane adamantane  
1725 C6N4 Tetracyanoethylene tcne  
1726 C6N4- tetracyanoethylene anion tcne-  
1727 C10H22 Decane decane  
1728 C4F6 perfluorobutadiene c4f6  
1729 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1730 C3F8 perfluoropropane c3f8  
1731 Fe(CO)5 Iron pentacarbonyl ipc  
1732 Fe(C5H5)2 ferrocene fecp2  
1733 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1734 C12H8 Acenaphthylene acenaph  
1735 C12H8 biphenylene biph  
1736 C12H10 biphenyl biphenyl  
1737 C12H10 Heptalene heptalene  
1738 C6H12O6 Inositol inositol  
1739 C6F6 hexafluorobenzene c6f6  
1740 S2F10 disulphur decafluoride s2f10  
1741 C13H10 Fluorene fluorene  
1742 C14H10 Anthracene anth  
1743 C14H10 Phenanthrene phenanthrene  
1744 C14H14 Bibenzyl bibenzyl  
1745 C12H10N2 azobenzene azobenzene  
1746 C6H5COC6H5 benzophenone benzophenone  
1747 C16H10 Pyrene pyrene  
1748 C18H12 Tetracene tetracene  
1749 C19H16 Triphenylmethane tpm  
1750 C24H12 Coronene coronene  
1751 C60 Buckminsterfullerene c60