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List of which calculations are completed at wB97X-D /6-311+G(3df,2p)

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count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 He Helium atom 1SKh
3 He Helium atom   
4 He+ Helium atom cation 2SKh
5 HeH+ Helium hydride cation 1ΣC∞v
6 He2+ helium diatomic cation 2ΣuD∞h
7 K Potassium atom 2SKh
8 KH Potassium hydride 1ΣC∞v
9 MgH magnesium monohydride 2ΣC∞v
10 ZnH+ Zinc, protonated   
11 BeH2+ Beryllium dihydride cation   
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 BH3+ boron trihydride cation 2B2C2v
20 BH3+ boron trihydride cation  C2v
21 AlH3- aluminum trihydride anion  C3v
22 BH4- borohydride anion 1A1Td
23 C Carbon atom 3P0Kh
24 Si- Silicon atom anion 4SKh
25 Ge Germanium atom 3PKh
26 Ge- Germanium anion 4SKh
27 Ge+ Germanium cation 2PKh
28 CH Methylidyne 2Π1/2C∞v
29 SiH Silylidyne 2ΠC∞v
30 GeH germylidene 2ΠC∞v
31 CH2- methylene anion 2B1C2v
32 GeH2 germylene 1A1C2v
33 CH3 Methyl radical 2A1D3h
34 SiH3 Silyl radical 2A1C3v
35 SiH3+ Silyl cation 1A1'D3h
36 GeH3 Germyl radical 2A1C3v
37 GeH3+ germyl cation 1A1'D3h
38 CH4 Methane 1A1Td
39 SiH2D2 silane-d2   
40 SiH4 Silane 1A1Td
41 GeH4 Germane 1A1Td
42 SiH5+ Silane, protonated   
43 N Nitrogen atom 4SKh
44 P Phosphorus atom 4SKh
45 V+ Vanadium atom cation 5DKh
46 As Arsenic atomic 4SKh
47 As- Arsenic anion 3PKh
48 As+ Arsenic cation 3PKh
49 PH phosphorus monohydride 3Σ-C∞v
50 AsH Arsenic monohydride 3ΣC∞v
51 NH2 Amino radical 2B1C2v
52 NH2+ Amino cation 3B1C2v
53 NH2+ Amino cation 1A1C2v
54 NH3 Ammonia 1A1C3v
55 PH3 Phosphine 1A1C3v
56 PH3+ Phosphine cation 2A1C3v
57 AsH3 Arsine 1A1C3v
58 AsH3+ Arsine cation 2A1C3v
59 AsH4+ Arsonium   
60 NH4 Ammonium radical   
61 PH4 Phosphoranyl radical   
62 O Oxygen atom 3SKh
63 S Sulfur atom   
64 Se Selenium atom 3PKh
65 Se- Selenium atom anion 2PKh
66 Se+ Selenium atom cation 4SKh
67 OH Hydroxyl radical 2ΠC∞v
68 OH+ hydoxyl cation 3ΣC∞v
69 HS- mercapto anion 1ΣC∞v
70 HS+ sulfur monohydride cation 3ΣC∞v
71 CrH Chromium hydride 6ΣC∞v
72 CrH+ Chromium hydride cation 5ΣC∞v
73 HSe Selenium monohydride 2ΠC∞v
74 HSe- selenium monohydride anion 1ΣC∞v
75 HSe+ selenium monohydride cation 3ΣC∞v
76 H2O Water 1A1C2v
77 H2O- water anion 2A1C2v
78 H2O- water anion 2A'Cs
79 H2O+ water cation 2B1C2v
80 HDO Water-d1 1A1C2v
81 H2S Hydrogen sulfide 1A1C2v
82 H2S+ Hydrogen sulfide cation 2B1C2v
83 H2Se Hydrogen selenide 1A1C2v
84 H2Se+ Hydrogen selenide cation 2B1C2v
85 H3S+ Sulfonium cation 1A1C3v
86 H3Se+ Hydrogen Selenide, protonated 1A1C3v
87 F Fluorine atom 2PKh
88 Cl Chlorine atom 2PKh
89 Br Bromine atom 2PKh
90 Br- Bromine atom anion 1SKh
91 Br+ Bromine atom cation 3PKh
92 HF Hydrogen fluoride 1ΣC∞v
93 HF- hydrogen fluoride anion 2ΣC∞v
94 HF+ hydrogen fluoride cation 2ΠC∞v
95 HCl Hydrogen chloride 1ΣC∞v
96 HCl- hydrogen chloride anion 2ΣC∞v
97 HCl+ hydrogen chloride cation 2ΠC∞v
98 HBr hydrogen bromide 1ΣC∞v
99 HBr- hydrogen bromide anion 2ΣC∞v
100 HBr+ hydrogen bromide cation 2ΠC∞v
101 H2Cl+ dihydrogen monochloride cation 1A1C2v
102 H2Br+ protonated hydrogen bromide 2A1C2v
103 Ne Neon atom   
104 Kr Krypton atom 1SKh
105 Kr+ Krypton cation 2PKh
106 HeLi+ Helium Lithium cation   
107 ArH+ Argon hydride cation 1ΣC∞v
108 KrH+ Protonated Krypton 1ΣC∞v
109 NaLi lithium sodium 1ΣC∞v
110 Na2 Sodium diatomic 1ΣgD∞h
111 Na2- sodium diatomic anion 2ΣuD∞h
112 LiAl Lithium Aluminum   
113 HBBH Diborane(2) 3ΣGD∞h
114 B2H4 Diborane(4) D2d 1A1D2d
115 B2H6 Diborane 1AgD2h
116 B2H6+ Diborane cation   
117 CaC Calcium monocarbide   
118 BSi Boron silicide 4ΣC∞v
119 BSi Boron silicide 2ΣC∞v
120 GeC Germanium monocarbide 1ΣC∞v
121 SiGe Silicon Germanium   
122 C2H- Ethynyl anion 1ΣC∞v
123 C2H2 Acetylene 1ΣgD∞h
124 C2H2+ acetylene cation 2ΠuD∞h
125 C2H2+ acetylene cation   
126 H2CC- vinylidene anion   
127 HCCH- acetylene anion   
128 HCCH- acetylene anion   
129 Si2H2 disilyne   
130 Si2H2 disilyne   
131 Si2H2 disilyne   
132 Si2H2 disilyne   
133 CH3Li methyl lithium 1A1C3v
134 C2H3 vinyl 2A'Cs
135 C2H3+ vinyl cation 1A1C2V bridging H
136 C2H3+ vinyl cation 1A1C2V HCCH2
137 C2H4 Ethylene 1AgD2h
138 C2H4+ Ethylene cation 2B3D2
139 Si2H4 Disilene   
140 Si2H4 Disilene   
141 Si2H4 Disilene   
142 C2H5 Ethyl radical 2A'Cs
143 C2H6 Ethane 1A1gD3d
144 Si2H6 disilane 1EuD3d
145 LiN Lithium Nitride 3ΣC∞v
146 LiP Lithium monophosphide   
147 LiP Lithium monophosphide   
148 MgN Magnesium Nitride   
149 MgN Magnesium Nitride   
150 GaAs Gallium arsenide 3Π 
151 GaAs Gallium arsenide 1Σ 
152 CN Cyano radical 2ΣC∞v
153 SiP Silicon monophosphide 2ΠC∞v
154 N2 Nitrogen diatomic 1ΣgD∞h
155 N2 Nitrogen diatomic   
156 PN Phosphorus mononitride 1ΣC∞v
157 HCN Hydrogen cyanide 1ΣC∞v
158 HCN+ hydrogen cyanide cation 2ΠC∞v
159 HNC+ hydrogen isocyanide cation   
160 HCP+ Phosphaethyne cation   
161 NNH+ Dinitrogen monohydride cation 1ΣC∞v
162 LiNH2 lithium amide   
163 HBNH Boranimine 1ΣC∞v
164 H2NN Isodiazene   
165 N2H2+ trans-diazene cation 2AGC2h
166 CH2NH Methanimine 1A'Cs
167 CH2NH+ Methanimine cation   
168 CHNH2 aminomethylene   
169 CHNH2+ Aminocarbene cation   
170 BH2NH2 Boranamine   
171 N2H4 Hydrazine 1AC2
172 CH3NH2 methyl amine 1A'Cs
173 SiH3NH2 Silane, amino   
174 BH3PH3 borane phosphine   
175 BH3NH3 borane ammonia 1A1C3v
176 CH3NH3 methyl ammonium radical 2A1C3v
177 N2H7+ ammonia ammonium dimer   
178 LiSe Lithium monoselenide   
179 CaO Calcium monoxide 1ΣC∞v
180 CaS Calcium sulfide 1ΣC∞v
181 BO boron monoxide 2ΣC∞v
182 GaO Gallium monoxide 2ΣC∞v
183 GaS Gallium monosulfide   
184 CO Carbon monoxide 1ΣC∞v
185 CO- carbon monoxide anion 2ΠC∞v
186 CO+ carbon monoxide cation 2ΣC∞v
187 SiO Silicon monoxide 1ΣC∞v
188 SiS silicon monosulfide 1ΣC∞v
189 CSe Carbon monoselenide 1ΣC∞v
190 GeO Germanium monoxide 1ΣC∞v
191 SiSe Silicon Monoselenide   
192 SiSe+ Silicon Monoselenide cation   
193 GeSe Germanium monoselenide   
194 NO Nitric oxide 2ΠC∞v
195 NO- nitric oxide anion 3ΣC∞v
196 NO+ nitric oxide cation 1ΣC∞v
197 PO Phosphorus monoxide 2ΠC∞v
198 PS phosphorus sulfide 2ΣC∞v
199 NSe Nitrogen monoselenide 2ΠC∞v
200 AsS Arsenic monosulfide 2ΠC∞v
201 PSe Phosphorus monoselenide 2ΠC∞v
202 AsSe Arsenic monoselenide 2ΠC∞v
203 O2 Oxygen diatomic 3ΣgD∞h
204 O2-- dioxygen dianion   
205 SO Sulfur monoxide 3ΣC∞v
206 SO Sulfur monoxide 1ΣC∞v
207 SO+ sulfur monoxide cation 2ΠC∞v
208 S2 Sulfur diatomic 3ΣgD∞h
209 SeO Selenium monoxide 3ΣC∞v
210 Se2 Selenium diatomic 3ΣgD∞h
211 LiOH lithium hydroxide 1ΣC∞v
212 KOH Potassium hydroxide 1ΣC∞v
213 BeOH beryllium monohydroxide 2A'Cs
214 HBO Boron hydride oxide 1ΣC∞v
215 HBS hydrogen boron sulfide 1ΣC∞v
216 COH Hydroxymethylidyne   
217 HCO Formyl radical 2A'Cs
218 HCO- formyl anion 1A'Cs
219 HCO+ Formyl cation 1ΣC∞v
220 HNO Nitrosyl hydride 1A'Cs
221 HNO+ Nitrosyl hydride cation 2A'Cs
222 HSO+ Sulfur Monoxide, S-protonated   
223 SOH Sulfur Hydroxide   
224 SOH+ Sulfur Monoxide, protonated   
225 H2CO Formaldehyde 1A1C2v
226 H2CO- formaldehyde anion 2A'Cs
227 H2CO- formaldehyde anion   
228 H2CO+ formaldehyde cation 2B2C2v
229 H2CS Thioformaldehyde 1A1C2v
230 H2CS- thioformaldehyde anion   
231 H2CS- thioformaldehyde anion   
232 H2CSe Selenoformaldehyde   
233 H2O2 Hydrogen peroxide 1AC2
234 H2O2 Hydrogen peroxide 1AgC2h
235 H2OO water oxide   
236 HOSH hydrogen thioperoxide   
237 H2Se2 hydrogen diselenide   
238 CH2OH+ hydroxymethyl cation 1A'Cs
239 CH3O- methoxy anion 1A1C3v
240 NH2OH hydroxylamine 1A'Cs
241 NH2OH+ Hydroxylamine cation   
242 NH2SH Thiohydroxylamine   
243 NH2SH Thiohydroxylamine   
244 NH3S sulfidoazane   
245 CH3OH Methyl alcohol 1A'Cs
246 CH3OH+ Methyl alcohol cation 2A"Cs
247 CH3SH Methanethiol 1A'Cs
248 SiH3OH silanol   
249 NH2OH2+ protonated hydroxylamine   
250 NH3OH+ N-protonated hydroxylamine   
251 H5O2+ Dihydroxonium ion 1AC2
252 LiF lithium fluoride 1ΣC∞v
253 LiCl lithium chloride 1ΣC∞v
254 NaF+ sodium fluoride cation 2ΣC∞v
255 LiBr Lithium Bromide 1ΣC∞v
256 LiF+ lithium fluoride cation 2ΠC∞v
257 CaBr Calcium monobromide   
258 BF Boron monofluoride 1ΣC∞v
259 AlF Aluminum monofluoride 1Σ+C∞v
260 GaF Gallium monofluoride 1ΣC∞v
261 AlBr Aluminum monobromide   
262 GaCl Gallium monochloride 1ΣGC∞v
263 GaBr Gallium monobromide   
264 CF Fluoromethylidyne 2ΠC∞v
265 SiCl Clorosilylidyne 2ΠC∞v
266 CBr Carbon monobromide 2ΠC∞v
267 GeF Germanium monofluoride 2ΠC∞v
268 GeCl Germanium monochloride 2ΠC∞v
269 GeCl+ Germanium monochloride cation   
270 SiBr Silicon monobromide 2ΠC∞v
271 SiBr+ Silicon monobromide cation   
272 NCl nitrogen monochloride 3ΣC∞v
273 PBr Phosphorus monobromide   
274 ClO Monochlorine monoxide 2ΠC∞v
275 ClO+ chlorine monoxide cation 3ΣC∞v
276 SF Monosulfur monofluoride 2ΠC∞v
277 SF+ sulfur monofluoride cation 3ΣC∞v
278 SCl+ sulfur monochloride cation 3ΣgC∞v
279 BrO Bromine monoxide 2ΠC∞v
280 BrO+ Bromine monoxide cation   
281 SBr Sulfur monobromide radical   
282 SBr+ Sulfur monobromide cation   
283 SeBr Selenium monobromide   
284 BrCl Bromine monochloride 1ΣC∞v
285 F2 Fluorine diatomic 1ΣgD∞h
286 F2+ flourine diatomic cation 2ΠgD∞h
287 ClF Chlorine monofluoride 1Σ+C∞v
288 ClF+ clorine monofluoride cation 2ΠC∞v
289 Cl2+ chlorine diatomic cation 2ΠgD∞h
290 BrF Bromine monofluoride 1ΣC∞v
291 Br2 Bromine diatomic 1ΣgD∞h
292 Br2- bromine diatomic anion 2ΣuD∞h
293 Br2+ bromine diatomic cation 2ΠgD∞h
294 HCF Fluoromethylene 1A'Cs
295 HCF Fluoromethylene 3A"Cs
296 HSiF fluorosilylene   
297 HSiCl Chlorosilylene   
298 HSiBr monobromosilylene   
299 HOF Hypofluorous acid 1A'Cs
300 HOCl hypochlorous acid 1A'Cs
301 HOCl+ hypochlorous acid cation   
302 F2H+ Fluorine, protonated 1A'Cs
303 ClFH+ Chlorine fluoride, F-protonated   
304 FClH+ Chlorine fluoride, Cl-protonated   
305 Cl2H+ Chlorine, protonated 1A'Cs
306 CH2Br bromomethyl radical   
307 CH2F fluoromethyl radical 2ACs
308 CH2F+ fluoromethyl cation   
309 CH2Cl+ chloromethyl cation   
310 CH2Cl chloromethyl radical 2A'Cs
311 CH2Cl chloromethyl radical 2B1C2v
312 NH2Cl chloramine 1A'Cs
313 CH3F+ methyl fluoride cation   
314 CH3F Methyl fluoride 1A1C3v
315 CH3Cl Methyl chloride 1A1C3v
316 CH3Cl+ Methyl chloride cation   
317 SiH3F monofluorosilane 1A1C3v
318 SiH3Cl chlorosilane 1A1C1
319 CH3Br methyl bromide 1A1C3v
320 GeH3F monofluorogermane   
321 GeH3Cl monochlorogermane   
322 NH3Cl+ protonated monochloroammonia   
323 CH3ClH+ methyl chloride, protonated   
324 NH4Cl Ammonium chloride   
325 LiNe+ Lithium Neon cation   
326 Ar2 Argon diatomic 1SgD∞h
327 C3 carbon trimer 1ΣgD∞h
328 C3 carbon trimer 1A1C2v
329 SiC2 Silicon dicarbide   
330 C3H4 cyclopropene 1A1C2v
331 CH2CCH2 allene 1A1D2d
332 CH3CCH propyne 1A'C3v
333 C3H6 Cyclopropane 1A1'D3h
334 CH2CHCH3 Propene 1A'Cs
335 C3H7 n-Propyl radical 2A"C1
336 CH3CHCH3 Isopropyl radical 2AC2
337 CH3CHCH3+ Isopropyl cation 1AC2
338 C3H8 Propane 1A1C2v
339 Si3H8 trisilane   
340 LiCN lithium cyanide 1ΣC*V LiCN
341 KCN Potassium cyanide 1ΣC∞v
342 KCN Potassium cyanide 1ΣC∞v
343 KCN Potassium cyanide 1A'Cs
344 ZnCN Zinc monocyanide 2ΣC∞v
345 ZnNC Zinc isocyanide 2ΣC∞v
346 AlCN Aluminum monocyanide   
347 AlNC Aluminum isocyanide   
348 CNN Diazocarbene   
349 N3 azide radical 2ΠgD∞h
350 HN3 hydrogen azide 1A'Cs
351 HN3+ Hydrazoic acid cation   
352 HNCNH diiminomethane 1AC2
353 HNNNH+ 1,2-Triazadienium   
354 NH2NN+ hydrazoic acid, protonated   
355 CH3CN Acetonitrile 1A1C3v
356 CH3CN- acetonitrile anion 2EC3v
357 CH3CN- acetonitrile anion 2A'Cs
358 CHNCH2 2H-Azirine   
359 CHNHCH 1H-Azirine   
360 H2CCNH Ethenimine   
361 H2CNCH methyleneaminomethylene   
362 HCCNH2 Ethynamine   
363 HCNCH2+ 2H-Azirine cation   
364 NH2CNH+ cyanamide, cn protonated   
365 NH3CN+ cyanamide, amine protonated   
366 C2H6N+ aziridine, protonated 1A1C2v
367 CH3CH2NH2 Ethylamine   
368 Li2O dilithium oxide 1ΣgD∞h
369 Na2O disodium monoxide 1ΣgLinear
370 Na2O disodium monoxide 1A1C2v
371 Na2S Sodium sulfide   
372 Na2S Sodium sulfide   
373 LiO2 Lithium dioxide   
374 NaO2 Sodium superoxide   
375 NCO isocyanato radical 2ΠC∞v
376 N2O Nitrous oxide 1ΣC∞v
377 CO2 Carbon dioxide 1ΣgD∞h
378 OCS Carbonyl sulfide 1ΣC∞v
379 CS2 Carbon disulfide 1ΣgD∞h
380 GeO2 Germanium dioxide 1ΣgD∞h
381 OCSe Carbonyl selenide 1ΣC∞v
382 SCSe Carbon sulfide selenide   
383 NO2 Nitrogen dioxide 2A1C2v
384 NSO sulfinyl amidogen   
385 SNO Nitrogen oxide sulfide   
386 SO2 Sulfur dioxide 1A1C2v
387 SSO Disulfur monoxide 1A'Cs
388 S3 Sulfur trimer 1A1C2v
389 S3 Sulfur trimer   
390 SeO2 Selenium dioxide 1A1C2v
391 HCCO ketenyl radical 2ΠC∞v
392 HCCO ketenyl radical 2A"Cs
393 HCNO fulminic acid 1ΣC∞v
394 HNCS Isothiocyanic acid   
395 HSCN thiocyanic acid 1A'Cs
396 HOCO Hydrocarboxyl radical 1A'cis
397 HOCO Hydrocarboxyl radical 1A'trans
398 O3H+ protonated ozone 1A'Cs
399 O3H+ protonated ozone   
400 C2H2O Oxirene 1A1C2v
401 CH2CO Ketene 1A1C2v
402 CH2CS Thioketene   
403 Be(OH)2 Beryllium hydroxide   
404 Be(OH)2 Beryllium hydroxide   
405 H2COO Dioxymethyl radical 2A'Cs
406 H2COO+ dioxymethyl cation 2A'Cs
407 HCOOH Formic acid 1A'Cs
408 HCOOH Formic acid   
409 BH3CO Borane carbonyl 1A1C3v
410 CH2COH+ ketene, protonated   
411 HOCHNH hydroxymethylimine 1A'CS H all up
412 CHSNH2 thioformamide   
413 NHCHSH Methanimidothioic acid   
414 C2H4O Ethylene oxide 1A1C2v
415 C2H4O+ ethylene oxide cation   
416 CH3CHO Acetaldehyde 1A'Cs
417 CH3CHO+ acetaldehyde cation   
418 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
419 C2H4S Thiirane 1A1C2v
420 CH2CHSH Ethenethiol   
421 CH3CHS Thioacetaldehyde 1A'C1
422 NH2CHOH+ Formamide, O-protonated   
423 CH3SSH Hydrogen methyl disulfide   
424 HSCH2SH Methanedithiol   
425 C2H4OH+ ethylene oxide, protonated 1A'Cs
426 NH2CH2OH aminomethanol   
427 CH3CH2OH Ethanol 1A'Cs
428 CH3OCH3 Dimethyl ether 1A1C2v
429 CH3CH2SH ethanethiol 1A'Cs
430 CH3CH2SH ethanethiol 1AC1
431 CH3SCH3 Dimethyl sulfide 1A1C2v
432 CH3SCH3+ dimethyl sulfide cation   
433 CNF iso cyanogen fluoride 1ΣC∞v
434 BrCN Cyanogen bromide 1ΣC∞v
435 FBO Boron monofluoride monoxide   
436 BeBr2 Beryllium bromide   
437 CaBr2 Calcium dibromide   
438 BF2 Boron difluoride radical 2A1C2v
439 FNO Nitrosyl fluoride 1A'Cs
440 ClNO Nitrosyl chloride 1A'Cs
441 FSN Thiazyl fluoride 1A'Cs
442 OPCl Phosphorus oxychloride   
443 CF2 Difluoromethylene 1A1D∞h
444 CFCl chlorofluoromethylene 1A'Cs
445 SiF2 Silicon difluoride 1A1C2v
446 GeCl2 Germanium dichloride 1A1C2v
447 CBr2 dibromomethylene 1A1C2v
448 CBr2 dibromomethylene 3B1C2v
449 FOO+ Fluorine dioxide cation   
450 OClO Chlorine dioxide 2B1D∞h
451 OClO- Chlorine dioxide anion 1A'Cs
452 BrOO Bromine dioxide   
453 OBrO Bromine dioxide radical 2B1C2v
454 PF2 Phosphorus difluoride   
455 PF2+ Phosphorus difluoride cation   
456 FClO chlorosyl fluoride 1A'Cs
457 ClOF Chlorine hypofluorite 1A'Cs
458 SF2 sulfur difluoride 1A1C2v
459 SeF2 Selenium difluoride   
460 SeCl2 Selenium Dichloride   
461 SBr2 Sulfur dibromide   
462 SeBr2 Selenium dibromide   
463 Br3- tribromide anion   
464 SFCl Sulfur chloride fluoride   
465 HCCF Fluoroacetylene 1ΣC∞v
466 HCCBr bromoacetylene 1ΣC∞v
467 CHF2 difluoromethyl radical 2ACs
468 CHF2+ difluoromethyl cation   
469 CHFCl Chlorofluoromethyl radical   
470 CHFCl+ Chlorofluoromethyl cation   
471 CHCl2+ dichloromethyl cation   
472 CHBr2 dibromomethyl radical   
473 NHF2 difluoramine   
474 NHCl2 dichloroamine   
475 CH2F2 Methane, difluoro- 1A1C2v
476 SiH2F2 difluorosilane   
477 CH2Cl2 Methylene chloride 1A1C2v
478 CH2BrCl Methane, bromochloro- 1A'Cs
479 CH2Br2 dibromomethane 1A1C2v
480 CH3MgBr Methyl Magnesium Bromide   
481 CH2CHF Ethene, fluoro- 1A'Cs
482 CH2FOH fluoromethanol   
483 CH2CH2Cl 2-chloroethyl radical 2A'Cs
484 CHClCH3 1-chloroethyl radical 2AC1
485 C2H5Br Ethyl bromide 1A'Cs
486 C4 Carbon tetramer 3ΣgD∞h
487 C4 Carbon tetramer   
488 C4H2+ diacetlyene cation 2ΠgD∞h
489 C4H4 Tetrahedrane   
490 C4H6 1-Methylcyclopropene 1AC1
491 CH2CHCH2CH3 1-Butene 1AC1
492 CH3CH2CH2CH3 Butane 1AgAnti
493 As4 Arsenic tetramer 1A1Td
494 HCCCN+ Cyanoacetylene cation 2ΠC∞v
495 H2CNCN cyanamide, methylene   
496 HNCCNH Ethenediimine   
497 C2H5CN ethyl cyanide 1A'Cs
498 H2NCHCHNH2 diaminoethylene   
499 CH7N3 triaminomethane   
500 NH2CH2CH2CH3 1-Propanamine 1A'Cs
501 N(SiH3)3 trisilylamine   
502 K2O2 dipotassium dioxide   
503 ONNO NO dimer 1Agtrans C2H
504 ONNO NO dimer 1A1cis C2V
505 S2N2 Disulfur dinitride 1AGD2h
506 CS3-- Carbonotrithioate   
507 SO3 Sulfur trioxide 1A1'D3h
508 SO3-- Sulfate dianion   
509 S4 Sulfur tetramer   
510 S4 Sulfur tetramer   
511 S4 Sulfur tetramer   
512 HNO3 Nitric acid 1A'Cs
513 C3H2O Propadienal   
514 C3H2O Propadienal   
515 C2H2O2 Ethanedial 1AgC2h
516 C2H3NO Nitrosoethylene   
517 CH3NCO methylisocyante   
518 HOCH2CN cyanomethanol   
519 CH3NO2 Methane, nitro- 1A'Cs
520 H3AlO3 Aluminum hydroxide   
521 CH2CHCHO Acrolein 1A'Cs
522 CH2CHCHO Acrolein   
523 CH2C(OH)NH2 1-amino vinyl alchohol   
524 CH3C(OH)=NH Ethaninidic acid   
525 CH3CSNH2 Ethanethioamide   
526 C3H6O Acetone enol 1A'Cs
527 CH3CH2CHO Propanal 1A'Cs
528 CH3COCH3 Acetone 1A1C2v
529 CH3SOCH3 Dimethyl sulfoxide 1A'Cs
530 C3H7OH 1-Propanol   
531 Li2F2 Lithium fluoride dimer   
532 CF2O Carbonic difluoride 1A1C2v
533 CF2O+ Carbonic difluoride cation   
534 BF3+ boron trifluoride cation   
535 BClF2 Chlorodifluoroborane   
536 BCl3 Borane, trichloro- 1A1'D3h
537 BCl3+ Boron Trichloride cation   
538 GaF3 Gallium trifluoride 1A1'D3h
539 GaCl3 Gallium trichloride 1A1'D3h
540 CF2Cl difluorochloromethyl radical   
541 CFCl2 dichlorofluoromethyl radical   
542 CBr3 tribromomethyl radical   
543 ClO2F Chloryl fluoride 1A'Cs
544 SSCl2 Thiothionyl chloride   
545 NF3 Nitrogen trifluoride 1A1C3v
546 NCl3 nitrogen trichloride 1A1C3v
547 NBr3 Nitrogen Tribromide 1A1C3v
548 HClO3 Chloric Acid 1A'Cs
549 HClO3 Chloric Acid 1AC1
550 CHF3 Methane, trifluoro- 1A1C3v
551 SiHF3 trifluorosilane   
552 CHCl3 Chloroform 1A1C3v
553 CHBrF2 Methane, bromodifluoro- 1A'Cs
554 CHFClBr fluorochlorobromomethane 1AC1
555 CHBrCl2 Methane, bromodichloro- 1A'Cs
556 CHBr2F dibromofluoromethane   
557 AsF3H+ Arsenic trifluoride, protonated   
558 C2H2ClF 1-chloro-1-fluoroethylene 1A'Cs
559 CHFCHCl (E)-1-chloro-2-fluoroethene 1A'Cs
560 CHFCHClz (Z)-1-Chloro-2-fluoroethene 1A'Cs
561 CHBrCHBr Ethene, 1,2-dibromo-, (E)-   
562 CHBrCHBr Ethene, 1,2-dibromo-, (Z)-   
563 C2H4F2 1,2-difluoroethane 1AgC2H anti
564 C2H4F2 1,2-difluoroethane 1AC2 gauche
565 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
566 CH2BrCH2Cl 1-bromo-2-chloroethane   
567 CH2BrCH2Br Ethane, 1,2-dibromo- 1AgC2h
568 CH2BrCH2Br Ethane, 1,2-dibromo- 1AC2
569 CH2CHCH2F Allyl Fluoride   
570 CH2CHCH2F Allyl Fluoride   
571 CH3CHCHF trans-1-Fluoro-1-propene   
572 CH2FCH2OH 2-fluoroethanol   
573 CH2FCH2CH3 1-Fluoropropane 1A'Cs
574 CH2FCH2CH3 1-Fluoropropane   
575 CH3CHFCH3 2-Fluoropropane 1A'Cs
576 CH3CHClCH3 Propane, 2-chloro- 1A'Cs
577 B5H9 pentaborane9   
578 C5H4 pentatetraene   
579 C5H6 Propellane 1A1D3h
580 C5H8 Bicyclo[1.1.1]pentane   
581 C3H4N2 2H-Imidazole 1A1C2v
582 C4H5N Pyrrole 1A1C2v
583 C3O2 Carbon suboxide 1ΣGD∞h
584 B2O3 diboron trioxide   
585 B2O3 diboron trioxide   
586 CHOOCHO diformyl ether   
587 C3H3NO Isoxazole 1A'Cs
588 C3H3NS Thiazole   
589 C4H4O Furan 1A1C2
590 CH3COCCH 3-butyn-2-one 1A'Cs
591 C4H4Se selenophene   
592 HCOOC2H5 Ethyl formate 1A'Cs
593 C2H6O2S Dimethyl sulfone 1A1C2v
594 C4H8S Thiophene, tetrahydro- 1AC1
595 C4H10O Ethoxy ethane 1A1C2v
596 C4H10O Methyl propyl ether 1AC1
597 C(CH3)3SH 2-Propanethiol, 2-methyl- 1A'Cs
598 C4H9SH 1-Butanethiol   
599 CF3Cl Methane, chlorotrifluoro- 1A1C3v
600 CF2Cl2 difluorodichloromethane 1A1C2v
601 CF3Br Bromotrifluoromethane 1A1C3v
602 GeF4 Germanium tetrafluoride 1A1Td
603 CCl4 Carbon tetrachloride 1A1Td
604 CBrCl2F bromodichlorofluoromethane   
605 CBr2ClF dibromochlorofluoromethane   
606 CBr2Cl2 dibromodichloromethane 1A1C2v
607 CBr3Cl tribromochloromethane 1A1C3v
608 CBr4 Carbon tetrabromide 1A1Td
609 GeBr4 Germanium tetrabromide   
610 SF4 Sulfur tetrafluoride 1A1C2v
611 SeF4 Selenium tetrafluoride   
612 SCl4 Sulfur tetrachloride   
613 CH2ClCCCl 1,3-dichloropropyne   
614 CHCl2CCH 3,3-dichloropropyne   
615 CHCl2CHO dichloroacetaldehyde   
616 CHF2CH2F Ethane, 1,1,2-trifluoro 1AC1
617 CHF2CH2F Ethane, 1,1,2-trifluoro 1A'Cs
618 CH2CClCHCH2 1,3-Butadiene, 2-chloro-   
619 CH2FCH2CH2F 1,3-difluoropropane   
620 CH3CCl2CH3 Propane, 2,2-dichloro- 1A1C2v
621 C2H2N2O Furazan   
622 C6H6 Prismane   
623 C6H6 1,2,4,5-Hexatetraene 1AgC2h
624 C6H6 Benzene 1A1gD6h
625 C6H6 Benzvalene 1A1C2v
626 C6H6 Dewar Benzene   
627 N3P3 1,3,5,2,4,6-Triazatriphosphorine   
628 N2O4 Dinitrogen tetroxide 1AgD2d
629 C3H2O3 vinylene carbonate   
630 C5H6O 2H-Pyran   
631 C5H6O Pentadienal   
632 C4H6O2 γ–Butyrolactone 1AC1
633 C3H6O3 1,3,5-Trioxane 1A1C1
634 C4H8O2 Ethyl acetate 1A'Cs
635 C5H10O 3-Pentanone 1A1C2v
636 C4F2 difluorobutadiyne   
637 C2ClF3 Ethene, chlorotrifluoro-   
638 C2Br4 tetrabromoethene   
639 SiF5- silicon pentafluoride anion   
640 PF5 Phosphorus pentafluoride 1A1'D3h
641 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-   
642 CH2BrCBr3 1,1,1,2-tetrabromo ethane   
643 C7H7 cycloheptatrienyl radical 2A2C2v
644 C7H7+ cycloheptatrienyl cation 1A1'D7h
645 CH(CN)3 tricyanomethane   
646 HN=C=C(CN)2 Dicyanoketenimine   
647 C5H4O2 furfural 1A'OCCO cis
648 C5H4O2 furfural 1A'OCCO trans
649 C6H12O Oxepane   
650 F2CCCF2 tetrafluoroallene   
651 SF6 Sulfur Hexafluoride 1A1GOh
652 C8H8 cubane 1A1GOh
653 S4N4 Tetrasulfur tetranitride   
654 C6H5CHO benzaldehyde 1A'Cs
655 C6H4F2 1,4-difluorobenzene 1AgD2h
656 C6H4Cl2 1,4-dichlorobenzene   
657 C6H5NO nitrosobenzene 1A'Cs
658 C3F6 hexafluoropropene   
659 C8H18O 1-Octanol   
660 C10H10 bullvalene   
661 B12H12-- Dodecahydrododecaborate(2-)   
662 C13H10 Fluorene   
663 C14H14 Bibenzyl 1AC2

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 anion h-  
5 H+ Hydrogen atom cation h+  
6 D2 Deuterium diatomic d2  
7 H2 Hydrogen diatomic h2  
8 H2- hydrogen diatomic anion h2-  
9 H2+ Hydrogen cation h2+  
10 HD Deuterium hydride hd  
11 H3+ hydrogen trimer cation h3+  
12 He- Helium atom anion he-  
13 HeH Helium hydride heh  
14 Li Lithium atom li  
15 Li- Lithium atom anion li-  
16 Li+ Lithium atom cation li+  
17 Na Sodium atom na  
18 Na- Sodium atom anion na-  
19 Na+ Sodium atom cation na+  
20 K- Potassium atom anion k-  
21 K+ Potassium atom cation k+  
22 Cu Copper atom cu  
23 Cu- Copper atom anion cu-  
24 Cu+ Copper atom cation cu+  
25 LiH Lithium Hydride lih  
26 LiH- lithium hydride anion lih-  
27 LiH+ lithium hydride cation lih+  
28 NaH sodium hydride nah  
29 NaH- sodium hydride anion nah-  
30 NaH+ sodium hydride cation nah+  
31 KH+ Potassium hydrogen cation kh+  
32 CuH Copper monohydride cuh  
33 Be Beryllium atom be  
34 Be- Beryllium atom anion be-  
35 Be+ Beryllium atom cation be+  
36 Mg Magnesium atom mg  
37 Mg- Magnesium atom anion mg-  
38 Mg+ Magnesium atom cation mg+  
39 Ca Calcium atom ca  
40 Ca- Calcium atom anion ca-  
41 Ca+ Calcium atom cation ca+  
42 Zn Zinc atom zn  
43 Zn- Zinc atom anion zn-  
44 Zn+ Zinc atom cation zn+  
45 BeH beryllium monohydride beh  
46 BeH- berylium monohydride anion beh-  
47 BeH+ beryllium monohydride cation beh+  
48 MgH- magnesium monohydride anion mgh-  
49 MgH+ magnesium monohydride cation mgh+  
50 CaH Calcium monohydride cah  
51 CaH+ Calcium monohydride cation cah+  
52 TiH Titanium monohydride tih  
53 ZnH Zinc monohydride znh  
54 BeH2 beryllium dihydride 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 AlH3 aluminum trihydride alh3  
81 AlH3+ aluminum trihydride cation alh3+  
82 ScH3 Scandium trihydride sch3  
83 GaH3 Gallium trihydride gah3  
84 BH4 borohydride bh4  
85 AlH4- Aluminum tetrahydride anion alh4-  
86 C- Carbon atom anion c-  
87 C+ Carbon atom cation c+  
88 Si Silicon atom si  
89 Si+ Silicon atom cation si+  
90 Ti Titanium atom ti  
91 Ti- Titanium atom anion ti-  
92 Ti+ Titanium atom cation ti+  
93 Sn Tin atom sn  
94 Sn+ Tin cation sn+  
95 CH- methylidyne anion ch-  
96 CH+ Methylidyne cation ch+  
97 SiH- silicon monohydride anion sih-  
98 SiH+ silicon monohydride cation sih+  
99 GeH+ Germaniun monohyrdide cation geh+  
100 CH2 Methylene ch2  
101 CH2+ methylene cation ch2+  
102 SiH2 silicon dihydride sih2  
103 SiH2- silicon dihydride anion sih2-  
104 SiH2+ silicon dihydride cation sih2+  
105 GeH2- germylene anion geh2-  
106 CH3- methyl anion ch3-  
107 CH3+ methyl cation ch3+  
108 SiH3- Silyl anion sih3-  
109 CD4 methane-d4 cd4  
110 CH2D2 methane-d2 ch2d2  
111 CH3D methane-d ch3d  
112 CH4- Methane anion ch4-  
113 CH4+ Methane cation ch4+  
114 CHD3 methane-d3 chd3  
115 SiH4+ Silane cation sih4+  
116 SnH4 Stannane snh4  
117 N- Nitrogen atom anion n-  
118 N+ Nitrogen atom cation n+  
119 P- Phosphorus atom anion p-  
120 P+ Phosphorus atom cation p+  
121 V Vanadium atom v  
122 Sb Antimony atom sb  
123 NH Imidogen nh  
124 NH- Imidogen anion nh-  
125 NH+ imidogen cation nh+  
126 PH- phosphorus monohydride anion ph-  
127 PH+ phosphorus monohydride cation ph+  
128 AsH+ Arsenic monohydride cation ash+  
129 SbH Antimony monohydride sbh  
130 ND2 Amidogen-d2 nd2  
131 NH2- amino anion nh2-  
132 PH2 Phosphino radical ph2  
133 PH2- Phosphino anion ph2-  
134 PH2+ Phosphino cation ph2+  
135 AsH2 Arsenic dihydride ash2  
136 AsH2+ Arsenic dihydride cation ash2+  
137 ND3 Ammonia-d3 nd3  
138 NH3- Ammonia anion nh3-  
139 NH3+ ammonia cation nh3+  
140 SbH3 Stibine sbh3  
141 NH4+ ammonium cation nh4+  
142 PH4+ phosphonium cation ph4+  
143 O- Oxygen atom anion o-  
144 O+ Oxygen atom cation o+  
145 S Sulfur atom s  
146 S- Sulfur atom anion s-  
147 S+ Sulfur atom cation s+  
148 Cr Chromium atom cr  
149 Te Tellurium atom te  
150 Te+ Tellurium atom cation te+  
151 DO Hydroxyl-d od  
152 OH- hydroxide anion oh-  
153 DS Mercapto-d ds  
154 HS Mercapto radical hs  
155 TeH Telluryl radical teh  
156 D2O Deuterium oxide d2o  
157 D2S Hydrogen sulfide-d2 d2s  
158 H2S- Hydrogen sulfide anion h2s-  
159 H2Te Hydrogen Telluride h2te  
160 H3O+ hydronium cation h3o+  
161 F- Fluorine atom anion f-  
162 F+ Fluorine atom cation f+  
163 Cl- Chlorine atom anion cl-  
164 Cl+ Chlorine atom cation cl+  
165 Mn Manganese atom mn  
166 I Iodine atom iodine  
167 I- Iodine atom anion iodine-  
168 I+ Iodine atom cation iodine+  
169 DF Hydrofluoric acid-d df  
170 DCl Hydrochloric acid-d dcl  
171 HI Hydrogen iodide hi  
172 HI+ Hydrogen iodide cation hi+  
173 H2F+ dihydrogen fluoride cation h2f+  
174 H2I+ Iodonium h2i+  
175 Ne Neon atom ne  
176 Ne- Neon atom anion ne-  
177 Ne+ Neon atom cation ne+  
178 Ar Argon atom ar  
179 Ar- Argon atom anion ar-  
180 Ar+ Argon atom cation ar+  
181 Fe Iron atom fe  
182 Xe Xenon atom xe  
183 NeH neon hydrogen neh  
184 NeH+ neon hydrogen cation neh+  
185 XeH+ Xenon, protonated xeh+  
186 H2Ar H2 Ar dimer h2ar  
187 Co Cobalt atom cobalt  
188 Ni Nickel atom ni  
189 Li2 Lithium diatomic li2  
190 Li2- lithium diatomic anion li2-  
191 Li2+ lithium diatomic cation li2+  
192 NaLi- lithium sodium anion lina-  
193 NaLi+ lithium sodium cation lina+  
194 LiK Lithium Potassium lik  
195 Na2+ sodium diatomic cation na2+  
196 NaK Sodium Potassium nak  
197 NaK+ Sodium Potassium diatomic cation nak+  
198 K2 Potassium diatomic k2  
199 Cu2 Copper diatomic cu2  
200 LiBe Lithium Beryllium libe  
201 LiMg Lithium magnesium limg  
202 NaBe Sodium Beryllium nabe  
203 NaMg Sodium Magnesium namg  
204 Be2 Beryllium diatomic be2  
205 Be2- Beryllium diatomic anion be2-  
206 Be2+ Beryllium diatomic cation be2+  
207 BeMg Beryllium Magnesium bemg  
208 Mg2 Magnesium diatomic mg2  
209 Mg2- magnesium diatomic anion mg2-  
210 Mg2+ magnesium diatomic cation mg2+  
211 Ca2 Calcium diatomic ca2  
212 LiB Lithium boride lib  
213 NaAl Sodium aluminum naal  
214 BeB Beryllium monoboride beb  
215 B2 Boron diatomic b2  
216 B2- Boron diatomic anion b2-  
217 B2+ Boron diatomic cation b2+  
218 BAl Boron Aluminum bal  
219 Al2 Aluminum diatomic al2  
220 Al2- aluminum diatomic anion al2-  
221 Al2+ aluminum diatomic cation al2+  
222 BGa Boron Gallium bga  
223 AlGa Aluminum Gallium alga  
224 Ga2 Gallium diatomic ga2  
225 LiBH4 Lithium borohydride libh4  
226 HBHHBH Diborane(4) C2V hbhhbh  
227 Al2H6 dialane al2h6  
228 Ga2H6 digallane ga2h6  
229 LiC Lithium Carbide lic  
230 BeC Beryllium Carbide bec  
231 BC boron monocarbide bc  
232 BC- boron monocarbide anion bc-  
233 BC+ boron monocarbide cation bc+  
234 AlC Aluminum carbide alc  
235 C2 Carbon diatomic c2  
236 C2- carbon diatomic anion c2-  
237 C2+ carbon diatomic cation c2+  
238 SiC silicon monocarbide sic  
239 SiC- silicon monocarbide anion sic-  
240 SiC+ silicon monocarbide cation sic+  
241 Si2 Silicon diatomic si2  
242 Si2- silcon diatomic anion si2-  
243 Si2+ silcon diatomic cation si2+  
244 Ge2 Germanium diatomic ge2  
245 C2H Ethynyl radical c2h  
246 C2H+ Ethynyl cation c2h+  
247 ZnCH2 Zinc methylene znch2  
248 CCH2 vinylidene vinylidene  
249 CuCH3 monomethyl copper cuch3  
250 ZnCH3 Zinc monomethyl znch3  
251 CH2BH methyleneborane ch2bh  
252 C2H3- vinyl anion c2h3-  
253 C2H4- Ethylene anion c2h4-  
254 CH3CH methylmethylene ch3ch  
255 CH2SiH2 silaethylene ch2sih2  
256 CH3BH2 methylborane ch3bh2  
257 C2H5- Ethyl anion c2h5-  
258 C2H5+ Ethyl cation c2h5+  
259 C2H6+ ethane cation c2h6+  
260 CH3SiH3 methyl silane ch3sih3  
261 GeH3CH3 methyl germane geh3ch3  
262 C2H7+ Ethane, protonated c2h7+  
263 LiN+ Lithium Nitride cation lin+  
264 BeN Beryllium mononitride ben  
265 BeN- Beryllium mononitride anion ben-  
266 BeN+ Beryllium mononitride cation ben+  
267 BN- boron nitride anion bn-  
268 AlN- aluminum mononitride anion aln-  
269 AlN+ aluminum mononitride cation aln+  
270 BP Boron monophosphide bp  
271 AlP Aluminum monophosphide alp  
272 GaN Gallium mononitride gan  
273 GaP Gallium monophosphide gap  
274 BN boron nitride bn  
275 BN+ boron nitride cation bn+  
276 AlN Aluminum nitride aln  
277 CN- cyanide anion cn-  
278 CN+ Cyano cation cn+  
279 CP Carbon monophosphide cp  
280 CP- carbon monophosphide anion cp-  
281 CP+ carbon monophosphide cation cp+  
282 SiN Silicon nitride sin  
283 SiN- silicon mononitride anion sin-  
284 SiN+ silicon mononitride cation sin+  
285 SiP- Silicon monophosphide anion sip-  
286 SiP+ Silicon monophosphide cation sip+  
287 TiN Titanium mononitride tin  
288 N2- nitrogen diatomic anion n2-  
289 N2+ diatomic nitrogen cation n2+  
290 PN- phosphorus nitride anion pn-  
291 PN+ phosphorus nitride cation pn+  
292 P2 Phosphorus diatomic p2  
293 P2- phosphorus diatomic anion p2-  
294 P2+ phosphorus diatomic cation p2+  
295 AsN Arsenic mononitride asn  
296 AsP Arsenic monophosphide asp  
297 SbN Antimony nitride sbn  
298 As2 Arsenic diatomic as2  
299 HNB hydrogen nitrogen boron hnb  
300 HNC hydrogen isocyanide hnc  
301 HCN- Hydrogen cyanide anion hcn-  
302 HCP Phosphaethyne hcp  
303 NNH Dinitrogen monohydride nnh  
304 HPO Hydrogen phosphorus oxide hpo  
305 HPO+ Hydrogen phosphorus oxide cation hpo+  
306 CNH2 Aminomethylidyne radical cnh2  
307 CNH2+ N-protonated hydrogen isocyanide cnh2+  
308 H2CN Dihydrogen cyanide radical h2cn  
309 H2CN+ hydrocyanonium cation h2cn+  
310 HCNH methyleneazane hcnh  
311 HCNH+ N-protonated HCN hcnh+  
312 N2H2 (E)-diazene n2h2  
313 N2H2 (Z)-Diazene n2h2z  
314 CH2PH Phosphaethene ch3p  
315 CH2NH2+ methyleneamine cation ch2nh2+  
316 N2H4+ hydrazine cation n2h4+  
317 P2H4 Diphosphine p2h4  
318 CH3NH2+ methyl amine cation ch3nh2+  
319 CH3PH2 Methyl phosphine ch3ph2  
320 N2H5+ protonated hydrazine n2h5+  
321 CH3NH3+ protonated methylamine ch3nh3+  
322 CH3PH3+ methyl phosphine, protonated ch3ph3+  
323 NH3NH3 Ammonia Dimer nh3nh3  
324 LiO lithium oxide lio  
325 LiO- lithium oxide anion lio-  
326 LiO+ lithium oxide cation lio+  
327 LiS Lithium monosulfide lis  
328 LiS+ Lithium sulfide cation lis+  
329 NaO sodium monoxide nao  
330 NaO- sodium oxide anion nao-  
331 NaO+ sodium oxide cation nao+  
332 KO Potassium monoxide ko  
333 KO+ Potassium monoxide cation ko+  
334 NaS Sodium sulfide nas  
335 CuO Copper Monoxide cuo  
336 BeO beryllium oxide beo  
337 BeO- Beryllium monoxide anion beo-  
338 BeO+ Beryllium monoxide cation beo+  
339 BeS beryllium sulfide bes  
340 MgO magnesium oxide mgo  
341 MgO- magnesium oxide anion mgo-  
342 MgO+ magnesium oxide cation mgo+  
343 MgS magnesium sulfide mgs  
344 MgS- magnesium sulfide anion mgs-  
345 MgS+ magnesium sulfide cation mgs+  
346 ZnO zinc monoxide zno  
347 ZnS Zinc sulfide zns  
348 BeS- Beryllium monosulfide anion bes-  
349 BeS+ Beryllium monosulfide cation bes+  
350 BO- boron monoxide anion bo-  
351 AlO Aluminum monoxide alo  
352 AlO- Aluminum monoxide anion alo-  
353 AlO+ aluminum monoxide cation alo+  
354 BS boron sulfide bs  
355 BS- boron monosulfide anion bs-  
356 BS+ boron monosulfide cation bs+  
357 AlS Aluminum sulfide als  
358 AlS- aluminum monosulfide anion als-  
359 AlS+ aluminum monosulfide cation als+  
360 ScO Scandium monoxide sco  
361 BO+ boron monoxide cation bo+  
362 CS carbon monosulfide cs  
363 CS- carbon monosulfide anion cs-  
364 CS+ carbon monosulfide cation cs+  
365 SiO- silicon monoxide anion sio-  
366 SiO+ silicon monoxide cation sio+  
367 SiS- silicon monosulfide anion sis-  
368 SiS+ silicon monosulfide cation sis+  
369 TiO Titanium monoxide tio  
370 CSe- Carbon monoselenide anion cse-  
371 CSe+ Carbon monoselenide cation cse+  
372 GeO+ Germanium monoxide cation geo+  
373 GeS Germanium monosulfide ges  
374 NS Mononitrogen monosulfide ns  
375 NS- nitrogen sulfide anion ns-  
376 NS+ nitrogen sulfide cation ns+  
377 PO- phosphorus monoxide anion po-  
378 PO+ phosphorus monoxide cation po+  
379 PS- phosphorus monosulfide anion ps-  
380 PS+ phosphorus monosulfide cation ps+  
381 VO Vanadium monoxide vo  
382 AsO Arsenic monoxide aso  
383 O2- oxygen diatomic anion o2-  
384 O2+ diatomic oxygen cation o2+  
385 SO- sulfur monoxide anion so-  
386 S2- sulfur diatomic anion s2-  
387 S2+ sulfur diatomic cation s2+  
388 SeO- selenium monoxide anion seo-  
389 SeO+ selenium monoxide cation seo+  
390 SeS Selenium monosulfide ses  
391 SeS- selenium monosulfide anion ses-  
392 SeS+ selenium monosulfide cation ses+  
393 TeO Tellurium monoxide teo  
394 Se2- selenium diatomic anion se2-  
395 Se2+ selenium diatomic cation se2+  
396 Te2 Tellurium diatomic te2  
397 NaOH sodium hydroxide naoh  
398 MgOH magnesium hydroxide mgoh  
399 CaOH Calcium monohydroxide caoh  
400 COH+ Carbon Monoxide, protonated coh+  
401 HCS Thioformyl radical hcs  
402 HCS- Thioformyl anion hcs-  
403 HCS+ Thioformyl cation hcs+  
404 HNO- Nitrosyl hydride anion hno-  
405 NOH Hydroxyimidogen noh  
406 NOH+ O-protonated nitric oxide noh+  
407 HNS Sulfur imide hns  
408 HNS- Sulfur imide anion hns-  
409 HO2 Hydroperoxy radical ho2  
410 HO2- Hydroperoxy anion ho2-  
411 HO2+ Hydroperoxy cation ho2+  
412 HS2 Thiosulfeno radical hs2  
413 HOCH hydroxycarbene hoch  
414 H2CS+ thioformaldehyde cation h2cs+  
415 H2NO nitroxide h2no  
416 H2O2+ Hydrogen peroxide cation h2o2+  
417 H2S2 Disulfane h2s2  
418 H2S2+ hydrogen disulfide cation h2s2+  
419 CH2OH Hydroxymethyl radical ch2oh  
420 CH3O Methoxy radical ch3o  
421 CH3O+ Methoxy cation ch3o+  
422 CH3S thiomethoxy ch3s  
423 H2CSH+ Thioformaldehyde, protonated h2csh+  
424 NH3O Ammonia Oxide nh3o  
425 H2POH Phosphinous acid h2poh  
426 H3PO Phosphine oxide h3po  
427 H3O2+ hydrogen peroxide, protonated h3o2+  
428 CH3OH- Methyl alcohol anion ch3oh-  
429 CH3SH+ Methanethiol cation ch3sh+  
430 CH3SeH Methane selenol ch3seh  
431 H2OH2O water dimer h2oh2o  
432 CH3OH2+ Methanol, protonated ch3oh2+  
433 CH3SH2+ protonated methylsulfide ch3sh2+  
434 H2ONH3 Water Ammonia Dimer h2onh3  
435 LiCl- lithium chloride anion licl-  
436 LiCl+ lithium chloride cation licl+  
437 NaF sodium fluoride naf  
438 NaF- sodium fluoride anion naf-  
439 KF Potassium Fluoride kf  
440 NaCl Sodium Chloride nacl  
441 NaCl- sodium chloride anion nacl-  
442 NaCl+ sodium chloride cation nacl+  
443 KCl Potassium Chloride kcl  
444 CuF Copper monofluoride cuf  
445 LiBr- lithium bromide anion libr-  
446 LiBr+ lithium bromide cation libr+  
447 CuCl Copper monochloride cucl  
448 NaBr Sodium Bromide nabr  
449 NaBr- sodium bromide anion nabr-  
450 NaBr+ sodium bromide cation nabr+  
451 KBr Potassium Bromide kbr  
452 LiI Lithium Iodide lii  
453 NaI Sodium Iodide nai  
454 KI Potassium Iodide ki  
455 LiF- lithium fluoride anion lif-  
456 BeF Beryllium monofluoride bef  
457 BeF- Beryllium monofluoride anion bef-  
458 BeF+ Beryllium monofluoride cation bef+  
459 BeCl beryllium monochloride becl  
460 MgF Magnesium monofluoride mgf  
461 MgF- magnesium fluoride anion mgf-  
462 MgF+ magnesium fluoride cation mgf+  
463 CaF Calcium monofluoride caf  
464 MgCl magnesium monochloride mgcl  
465 MgCl- magnesium monochloride anion mgcl-  
466 MgCl+ magnesium monochloride cation mgcl+  
467 CaCl calcium monochloride cacl  
468 TiCl Titanium Monochloride ticl  
469 ZnF Zinc monofluoride znf  
470 ZnF- Zinc monofluoride anion znf-  
471 ZnF+ Zinc monofluoride cation znf+  
472 ZnCl Zinc monochloride zncl  
473 BeCl- beryllium monochloride anion becl-  
474 BeCl+ beryllium monochloride cation becl+  
475 BF- Boron monofluoride anion bf-  
476 BF+ Boron monofluoride cation bf+  
477 AlF- Aluminum monofluoride anion alf-  
478 AlF+ Aluminum monofluoride cation alf+  
479 BCl boron monochloride bcl  
480 BCl- boron monochloride anion bcl-  
481 BCl+ boron monochloride cation bcl+  
482 AlCl Aluminum monochloride alcl  
483 AlCl- aluminum monochloride anion alcl-  
484 AlCl+ aluminum monochloride cation alcl+  
485 ScF Scandium monofluoride scf  
486 BBr Boron monobromide bbr  
487 GaF+ Gallium monofluoride cation gaf+  
488 GaCl+ Gallium monochloride cation gacl+  
489 AlI Aluminum monoiodide ali  
490 CF- carbon monofluoride anion cf-  
491 CF+ carbon monofluoride cation cf+  
492 CCl carbon monochloride ccl  
493 CCl- carbon monochloride anion ccl-  
494 CCl+ carbon monochloride cation ccl+  
495 SiF silicon monofluoride sif  
496 SiF- silicon monofluoride anion sif-  
497 SiF+ silicon monofluoride cation sif+  
498 SiCl- silicon monochloride anion sicl-  
499 SiCl+ silicon monochloride cation sicl+  
500 GeF+ Germanium monofluoride cation gef+  
501 NF nitrogen fluoride nf  
502 NF- nitrogen monofluorine anion nf-  
503 NF+ nitrogen monofluoirde cation nf+  
504 NCl- nitrogen monochloride anion ncl-  
505 NCl+ nitrogen monochloride cation ncl+  
506 PF phosphorus monofluoride pf  
507 PF- phosphorus monofluoride anion pf-  
508 PF+ phosphorus monofluoride cation pf+  
509 PCl phosphorus chloride pcl  
510 PCl- phosphorus monochloride anion pcl-  
511 PCl+ phosphorus monochloride cation pcl+  
512 AsF Arsenic monofluoride asf  
513 NBr nitrogen monobromide nbr  
514 AsCl Arsenic monochloride ascl  
515 SbF Antimony monofluoride sbf  
516 SbCl Antimony monochloride sbcl  
517 FO Oxygen monofluoride fo  
518 FO- flourine oxide anion fo-  
519 FO+ fluorine monoxide cation fo+  
520 ClO- chlorine monoxide anion clo-  
521 SF- sulfur monofluoride anion sf-  
522 SCl sulfur monochloride scl  
523 SCl- sulfur monochloride anion scl-  
524 BrO- Bromine monoxide anion bro-  
525 SeF Selenium monofluoride sef  
526 SeCl Selenium monochloride secl  
527 IO Iodine monoxide io  
528 F2- flourine diatomic anion f2-  
529 ClF- clorine monofluoride anion clf-  
530 Cl2 Chlorine diatomic cl2  
531 Cl2- chlorine diatomic anion cl2-  
532 BrF- bromine fluoride anion brf-  
533 BrF+ bromine fluoride cation brf+  
534 BrCl- bromine chloride anion brcl-  
535 BrCl+ bromine chloride cation brcl+  
536 IF Iodine monofluoride if  
537 ICl Iodine monochloride icl  
538 IBr Iodine monobromide ibr  
539 I2 Iodine diatomic i2  
540 I2+ Iodine diatomic cation i2+  
541 HCCl Chloromethylene hccl  
542 CHBr bromomethylene chbr  
543 DOCl Hypochlorous acid-d docl  
544 HOBr Hypobromous acid hobr  
545 HOBr+ Hypobromous acid cation hobr+  
546 HOI Hypoiodous acid hoi  
547 FHF Hydrogen difluoride fhf  
548 FHF- Hydrogen difluoride anion fhf-  
549 NH2F monofluoroamine nh2f  
550 H2F2 Hydrogen fluoride dimer h2f2  
551 CD3F methylfluoride-d3 cd3f  
552 CD3Cl methyl chloride d3 cd3cl  
553 SiH3Br bromosilane sih3br  
554 CH3I methyl iodide ch3i  
555 SiH3I Silyl Iodide sih3i  
556 Ne2 Neon diatomic ne2  
557 Ne2+ Neon diatomic cation ne2+  
558 Ar2+ Argon diatomic cation ar2+  
559 Li3 Lithium trimer li3  
560 Li3+ Lithium trimer cation li3+  
561 C3+ carbon trimer cation c3+  
562 C3H3 cyclopropenyl radical cpr  
563 C3H3 Propargyl radical propargyl  
564 C3H3- Propargyl anion c3h3-  
565 C3H3+ cyclopropenyl cation cpr+  
566 C3H3+ Propargyl cation c3h3+  
567 C3H5 Allyl radical allyl  
568 C3H5+ Allyl cation allyl+  
569 CH3CHCH 1-propenyl radical ch3chch  
570 Zn(CH3)2 dimethyl zinc dmz  
571 C3H7+ cyclopropane, protonated c3h7+  
572 SiH2(CH3)2 dimethylsilane dms  
573 NaCN Sodium Cyanide nacn  
574 CuCN Copper cyanide cucn  
575 CN2 3H-Diazirin-3-ylidene cn2  
576 NCN Cyanoimidogen ncn  
577 N3- azide anion n3-  
578 N3+ azide cation n3+  
579 HCCN cyanomethylene hccn  
580 HCNN diazomethyl radical hcnn  
581 CH2N2 diazirine ch2n2  
582 CH2NN diazomethane ch2nn  
583 NH2CN cyanamide cyanamide  
584 CH3CN+ Acetonitrile cation ch3cn+  
585 CH3NC methyl isocyanide ch3nc  
586 HNCNH2+ diiminomethane, protonated hncnh2+  
587 NCNH3+ Cyanamide, protonated ncnh3+  
588 CH2CHNH vinylazine ch2chnh  
589 CH3CHN methylmethaniminyl radical ch3chn  
590 NHCHNH2 aminomethanimine cn2h4  
591 C2H5N Aziridine c2h5n  
592 CH2CHNH2 aminoethene aminoethene  
593 CH2NCH3 N-methylmethanimine nmm  
594 CH3CHNH ethanimine ethanimine  
595 NH2BHNH2 diaminoborane nh2bhnh2  
596 C2H5NH+ Protonated Aziridine c2h5nh+  
597 NH2CH2NH2 diaminomethane nh2ch2nh2  
598 CH3NHCH3 Dimethylamine ch3nhch3  
599 CH3PHCH3 dimethylphosphine ch3phch3  
600 NH2CH2NH3+ diaminoethane, protonated pdam  
601 (CH3)2NH2+ dimethylammonium cation dmam  
602 CH3CH2NH3+ ethylamine, protonated pea  
603 Li2O+ dilithium oxide cation li2o+  
604 Li2S dilithium sulfide li2s  
605 CCO Dicarbon monoxide cco  
606 CNO- fulminate cno-  
607 NCO- cyanate nco-  
608 SCN thiocyanato radical scn  
609 SCN- thiocyanide anion scn-  
610 BO2 Boron dioxide bo2  
611 BO2- Boron dioxide anion bo2-  
612 BO2+ Boron dioxide cation bo2+  
613 N2O- Nitrous oxide anion n2o-  
614 N2O+ Nitrous oxide cation n2o+  
615 NNS Nitrogen sulfide nns  
616 PPO Phosphorus oxide phosphide ppo  
617 CO2- Carbon dioxide anion co2-  
618 CO2+ Carbon dioxide cation co2+  
619 OCS+ Carbonyl sulfide cation cos+  
620 SiO2 silicon dioxide sio2  
621 CS2- Carbon disulfide anion cs2-  
622 CS2+ Carbon disulfide cation cs2+  
623 TiO2 Titanium dioxide tio2  
624 SiS2 Silicon disulfide sis2  
625 GeS2 Germanium disulfide ges2  
626 CSe2 Carbon diselenide cse2  
627 SCTe Carbon sulfide Telluride scte  
628 NO2- Nitrogen dioxide anion no2-  
629 NO2+ Nitrogen dioxide cation no2+  
630 PO2 Phosphorus dioxide po2  
631 PO2- Phosphorus dioxide anion po2-  
632 PO2+ Phosphorus dioxide cation po2+  
633 AsO2 Aresenic dioxide aso2  
634 O3 Ozone o3  
635 O3- Ozone anion o3-  
636 O3+ Ozone cation o3+  
637 SO2- Sulfur dioxide anion so2-  
638 SO2+ Sulfur dioxide cation so2+  
639 S3- Sulfur trimer anion s3-  
640 S3+ Sulfur trimer cation s3+  
641 SeO2+ Selenium dioxide cation seo2+  
642 TeO2 Tellurium Dioxide teo2  
643 CS2H+ Carbon disulfide, protonated cs2h+  
644 HNCO Isocyanic acid hnco  
645 HOCN cyanic acid hocn  
646 HCO2- formate anion hco2-  
647 HNNO nitrosoazane hnno  
648 HNNO+ Nitrous oxide, N-protonated hnno+  
649 NNOH+ Nitrous Oxide, O-protonated nnoh+  
650 HCOO formate neutral radical hcoo  
651 HOCO+ Hydrocarboxyl cation hoco+  
652 HNO2 Nitrous acid hno2  
653 HNO2+ nitrous acid cation hno2+  
654 SO2H+ protonated sulfur dioxide so2h+  
655 CH2CO+ Ketene cation ch2co+  
656 HCCOH ethynol hccoh  
657 Mg(OH)2 Magnesium dihydroxide h2mgo2  
658 NH2NO Nitrosamide nh2no  
659 CH2O2 Dioxirane diox  
660 H2O3 Hydrogen trioxide h2o3  
661 HSSSH trisulfane hsssh  
662 NaOCH3 Sodium methoxide naoch3  
663 CH2BOH hydroxy(methylene)borane ch2boh  
664 CH3BO Borane, methyloxo- ch3bo  
665 CH2CHO Vinyloxy radical ch2cho  
666 CH3CO Acetyl radical ch3co  
667 CH3CO- Acetyl anion ch3co-  
668 CH3CO+ acetyl cation ch3co+  
669 CH2NOH formaldoxime ch2noh  
670 CH3NO nitrosomethane ch3no  
671 CHONH2 formamide formamide  
672 CNOH3 1,2-oxaziridine cnoh3  
673 CH2OOH CH2OOH radical ch2ooh  
674 CH3OO methylperoxy radical ch3oo  
675 CH3OO- methylperoxy anion ch3oo-  
676 CH3OO+ methylperoxy cation ch3oo+  
677 CH2CHOH ethenol ch2choh  
678 H2CONH2+ protonated formamide h2conh2+  
679 NH3CHO+ Formamide, N-Protonated nh3cho+  
680 CH2(OH)2 methanediol ch2o2h2  
681 CH3OOH Methyl peroxide ch3ooh  
682 H2OH2CO water formaldehyde dimer h2oh2co  
683 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
684 CH3CH2O Ethoxy radical ethoxy  
685 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
686 CH3CHOH+ acetaldehyde, protonated ch3choh+  
687 CH3OCH2 methoxymethyl radical ch3och2  
688 CH3SeCH3 dimethylselenide dmse  
689 CH3OHH2O methanol water dimer ch3ohh2o  
690 H2OCH3OH water methanol dimer h2och3oh  
691 CuF2 Copper difluoride cuf2  
692 ZnF2 Zinc difluoride znf2  
693 FCN Cyanogen fluoride fcn  
694 ClCN chlorocyanogen clcn  
695 ICN Cyanogen iodide icn  
696 BeF2 Beryllium fluoride bef2  
697 MgF2 Magnesium fluoride mgf2  
698 BeCl2 Beryllium chloride becl2  
699 MgCl2 Magnesium dichloride mgcl2  
700 CaCl2 Calcium Chloride cacl2  
701 ZnCl2 Zinc dichloride zncl2  
702 CaF2 Calcium difluoride caf2  
703 FCO Carbonyl fluoride fco  
704 FCO+ Carbonyl fluoride cation fco+  
705 ClCO carbonyl monochloride clco  
706 FNS Thionitrosyl fluoride fns  
707 BrNO Nitrosyl bromide brno  
708 INO Nitrosyl iodide ino  
709 CF2- Difluoromethylene anion cf2-  
710 CF2+ Difluoromethylene cation cf2+  
711 SiF2+ Silicon difluoride cation sif2+  
712 CCl2 dichloromethylene ccl2  
713 CCl2- dichloromethylene anion ccl2-  
714 CCl2+ dichloromethylene cation ccl2+  
715 SiCl2 Dichlorosilylene sicl2  
716 GeF2 Germanium difluoride gef2  
717 FOO Dioxygen monofluoride radical foo  
718 ClOO chloroperoxy radical cloo  
719 ClOO+ chloroperoxy cation cloo+  
720 OClO+ Chlorine dioxide cation oclo+  
721 ClSO Sulfur chloride oxide clso  
722 ClS2 Sulfur chloride cls2  
723 NF2 Difluoroamino radical nf2  
724 NF2+ Difluoroamino cation nf2+  
725 F2O Difluorine monoxide f2o  
726 SF2- sulfur difluoride anion sf2-  
727 SF2+ sulfur difluoride cation sf2+  
728 Cl2O Dichlorine monoxide cl2o  
729 SCl2 Sulfur dichloride scl2  
730 BrOCl Bromine hypochlorite brocl  
731 BrOBr Bromine oxide brobr  
732 F3- trifluoride anion f3-  
733 Cl3- trichloride anion cl3-  
734 I3- triiodide i3-  
735 HCCF+ fluoroacetylene cation hccf+  
736 HCCCl Chloroacetylene hcccl  
737 HFCO formyl fluoride hfco  
738 HFCO+ formyl fluoride cation hfco+  
739 COHCl Formyl chloride cohcl  
740 COHBr Formyl bromide cohbr  
741 BHF2 Difluoroborane bhf2  
742 BHCl2 Borane, dichloro- bhcl2  
743 CHCl2 dichloromethyl radical chcl2  
744 HOClO Chlorous acid hoclo  
745 CH2FCl fluorochloromethane ch2fcl  
746 CH2BrF Methane, bromofluoro- ch2fbr  
747 CH2FI fluoroiodomethane ch2fi  
748 CH2ClI chloroiodomethane ch2cli  
749 CH2BrI bromoiodomethane ch2bri  
750 CH2I2 Diiodomethane ch2i2  
751 SiH2Cl2 dichlorosilane sih2cl2  
752 CH2CHF+ fluoroethene cation ch2chf+  
753 C2H3Cl Ethene, chloro- ch2chcl  
754 C2H3Br vinyl bromide c2h3br  
755 C2H3I Vinyl iodide c2h3i  
756 CH3OCl methyl hypochlorite ch3ocl  
757 C2H5F fluoroethane c2h5f  
758 CH3CH2Cl Ethyl chloride c2h5cl  
759 CH3SiFH2 fluoromethylsilane ch3sifh2  
760 C2H5I Ethyl iodide c2h5i  
761 KrF2 Krypton difluoride krf2  
762 XeF2 Xenon difluoride xef2  
763 B4H10 Tetraborane(10) b4h10  
764 C4+ Carbon tetramer cation c4+  
765 C4H2 Diacetylene c4h2  
766 C2H3CCH 1-Buten-3-yne c2h3cch  
767 C4H4 cyclobutadiene cbd  
768 H2CCCCH2 Butatriene h2cccch2  
769 C4H6 Cyclobutene c822355  
770 C4H6 Methylenecyclopropane c6142730  
771 CH2CCHCH3 1,2-Butadiene butad12  
772 CH2CHCHCH2 1,3-Butadiene c106990  
773 CH3CCCH3 2-Butyne c503173  
774 CHCCH2CH3 1-Butyne c107006  
775 CH3CHCHCH2 methylallyl radical c4h7  
776 C4H8 methylcyclopropane mcp  
777 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
778 CH3CHCHCH3 2-Butene, (E)- bute2e  
779 CH3CHCHCH3 2-Butene, (Z)- bute2z  
780 B(CH3)3 trimethylborane bme3  
781 Al(CH3)3 trimethyl aluminum tma  
782 C(CH3)3 Tert-butyl radical tbutyl  
783 CH2CH(CH3)2 Isobutyl radical isobutyl  
784 CH3CHCH2CH3 2-Butyl radical butyl2  
785 CH3CH(CH3)CH3 Isobutane isobutane  
786 SiH(CH3)3 trimethylsilane trimsi  
787 Li3N trilithium nitride li3n  
788 C2N2 Cyanogen c2n2  
789 C2N2+ Cyanogen cation c2n2+  
790 P4 Phosphorus tetramer p4  
791 HCCCN Cyanoacetylene hcccn  
792 C3H3N acrylonitrile ch2chcn  
793 C3H3N+ acrylonitrile cation ch2chcn+  
794 CH3N3 methyl azide ch3n3  
795 NH2CCNH2 Diaminoacetylene daa  
796 NH2CH2CN Aminoacetonitrile aan  
797 CH3NHN2+ methyl azide, protonated ch3nhn2+  
798 CH5N3 Guanidine guanidine  
799 C4H6 Bicyclo[1.1.0]butane c157335  
800 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
801 CH6N3+ guanidinium ch6n3+  
802 C3H7N Cyclopropylamine cpram  
803 C3H7N Azetidine azet  
804 C4H8 cyclobutane cbutane  
805 C2H8N2 Ethylenediamine ethdiam  
806 CH3NHNHCH3 dimethyl hydrazine dmh  
807 CH3CH(NH2)CH3 2-Propanamine pram2  
808 N(CH3)3 Trimethylamine trimeam  
809 P(CH3)3 trimethylphosphine tmp  
810 As(CH3)3 trimethyl arsine tmas  
811 (CH3)3NH+ protonated trimethyl amine ptma  
812 C3H7NH3+ n-propylamine, protonated c3h7nh2  
813 Li2O2 dilithium dioxide li2o2  
814 C3O Tricarbon monoxide c3o  
815 B2O2 Diboron dioxide b2o2  
816 CO3 Carbon trioxide co3  
817 CO3-- carbonate co3--  
818 NO3 Nitrogen trioxide no3  
819 NO3- nitrate anion no3-  
820 NO3+ nitrogen trioxide cation no3+  
821 SO3- Sulfur trioxide anion so3-  
822 SO3+ Sulfur trioxide cation so3+  
823 SeO3 selenium trioxide seo3  
824 TeO3 Tellurium trioxide teo3  
825 HCO3- bicarbonate anion hco3-  
826 HSO3 Hydroxysulfonyl radical hso3  
827 NH2NO2 nitramide nh2no2  
828 C2H2CO cyclopropenone c2h2co  
829 HCCCHO 2-propynal hcccho  
830 C2H2O2+ Ethanedial cation c2h2o2+  
831 H2CO3 Carbonic acid h2co3  
832 H2CS3 thiocarbonic acid h2cs3  
833 H2NO3+ Nitric Acid, Protonated h2no3+  
834 H2SO3 Sulfurous acid h2so3  
835 CH3COO- acetate anion ch3coo-  
836 CH3ONO Methyl nitrite ch3ono  
837 NH2COOH Carbamic acid nh2cooh  
838 H3BO3 Boric acid h3bo3  
839 H3CO3+ carbonic acid, protonated h3co3+  
840 C3H4O 2-Propyn-1-ol c107197  
841 C3H4O allenol c9000071  
842 C3H4O Cyclopropanone cpone  
843 C3H4O Methylketene c6004440  
844 NH2CONH2 Urea urea  
845 NH2CONH2+ Urea cation urea+  
846 NH2CSNH2 Thiourea thiourea  
847 C2H4O2 1,3-dioxetane c2h4o2  
848 CH3COOH Acetic acid ch3cooh  
849 CH3OCHO methyl formate ch3ocho  
850 CHOCH2OH hydroxy acetaldehyde haa  
851 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
852 NH3COOH+ protonated Carbamic acid nh3cooh+  
853 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
854 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
855 HCOOHH2O Formic acid water dimer hcoohh2o  
856 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
857 CH3COCH2 Acetonyl radical ch3coch2  
858 CH3CHNOH Acetaldoxime acetaldoxime  
859 CH3CONH2 Acetamide acetamide  
860 HCONHCH3 N-methylformamide nmfa  
861 CH5N2O+ urea, N-protonated ch4n2o+  
862 H2NCOHNH2+ urea, protonated ureah+  
863 C2H5OO ethylperoxy radical c2h5oo  
864 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
865 C3H5OH Cyclopropanol cproh  
866 C3H6O 2-Propen-1-ol c107186  
867 C3H6O Oxetane oxetane  
868 C3H6O Propylene oxide prox  
869 CH3COCH3- acetone anion ch3coch3-  
870 C3H6S Thietane thietane  
871 C3H6S Thiirane, methyl- methiirane  
872 CH3CSCH3 Thioacetone ch3csch3  
873 C2H6O2 1,2-Ethanediol ethdiol  
874 CH3OOCH3 dimethylperoxide dmp  
875 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
876 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
877 CH3COHCH3+ acetone, protonated acetoneh+  
878 HOCH2CH2NH2 monoethanolamine mea  
879 CH3CHOHCH3 Isopropyl alcohol isoproh  
880 CH3OC2H5 Ethane, methoxy- etome  
881 C3H7SH 1-Propanethiol prsh  
882 CH3CHSHCH3 2-Propanethiol isoprsh  
883 CH3SCH2CH3 Ethane, (methylthio)- etsme  
884 H2OCH3OCH3 water dimethylether dimer h2och3och3  
885 Na2F2 Sodium Fluoride Dimer na2f2  
886 Na2Cl2 Disodium dichloride na2cl2  
887 C2F2 difluoroacetylene c2f2  
888 C2Cl2 dichloroacetylene c2cl2  
889 C2Cl2+ dichloroacetylene cation c2cl2+  
890 FNO2 Nitryl fluoride fno2  
891 FONO Nitrosyl hypofluorite fono  
892 ClNO2 Nitryl chloride clno2  
893 ClONO chlorine nitrite clono  
894 BrONO Bromine nitrite brono  
895 N2F2 (Z)-Difluorodiazene n2f2_z  
896 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
897 COFCl Carbonic chloride fluoride cofcl  
898 CCl2O Phosgene cl2co  
899 Cl2CS Thiophosgene cl2cs  
900 COBr2 Carbonic dibromide cobr2  
901 BF3 Borane, trifluoro- bf3  
902 BF3- Borane, trifluoro- anion bf3-  
903 AlF3 Aluminum trifluoride alf3  
904 AlF2Cl Aluminum chloride difluoride alclf2  
905 ScF3 Scandium trifluoride ScF3  
906 AlFCl2 Aluminum dichloride fluoride alcl2f  
907 AlCl3 Aluminum trichloride alcl3  
908 BBr3 Boron tribromide bbr3  
909 AlBr3 Aluminum Bromide albr3  
910 ClO3 Chlorine trioxide clo3  
911 ClO3- chlorate anion clo3-  
912 BrO3- Bromate anion bro3-  
913 CF3 Trifluoromethyl radical cf3  
914 CF3- Trifluoromethyl anion cf3-  
915 CF3+ Trifluoromethyl cation cf3+  
916 SiF3 Silicon trifluoride radical sif3  
917 SiF3+ Silicon trifluoride cation sif3+  
918 CCl3 Trichloromethyl radical ccl3  
919 CCl3- Trichloromethyl anion ccl3-  
920 CCl3+ Trichloromethyl cation ccl3+  
921 SiCl3 trichlorosilyl radical sicl3  
922 SiCl3+ trichlorosilyl cation sicl3+  
923 FOOF Perfluoroperoxide foof  
924 F2SO Thionyl Fluoride f2so  
925 ClOOCl Dichlorine dioxide cloocl  
926 FSSF Difluorodisulfane fssf  
927 S2F2 Thio-thionyl fluoride s2f2  
928 SOCl2 thionyl chloride socl2  
929 SeOCl2 selenium oxychloride seocl2  
930 NF3- Nitrogen trifluoride anion nf3-  
931 NF3+ Nitrogen trifluoride cation nf3+  
932 PF3 Phosphorus trifluoride pf3  
933 AsF3 Arsenic trifluoride asf3  
934 PCl3 Phosphorus trichloride pcl3  
935 SbF3 Antimony Trifluoride sbf3  
936 AsCl3 Arsenous trichloride ascl3  
937 SbCl3 Antimony Trichloride sbcl3  
938 PBr3 Phosphorus tribromide pbr3  
939 AsBr3 Arsenic tribromide asbr3  
940 NI3 Nitrogen triiodide ni3  
941 PI3 Phosphorus triiodide pi3  
942 ClSSCl Disulfur dichloride s2cl2  
943 SF3 Sulfur trifluoride sf3  
944 ClF3 Chlorine trifluoride clf3  
945 BrF3 Bromine trifluoride brf3  
946 IF3 iodone trifluoride if3  
947 CHF2Cl difluorochloromethane chf2cl  
948 CHFCl2 fluorodichloromethane chfcl2  
949 CDCl3 trichloromethane-d cdcl3  
950 SiHCl3 Trichlorosilane sihcl3  
951 CHF2I difluoroiodomethane chf2i  
952 CHFClI fluorochloroiodomethane chfcli  
953 CHCl2I dichloroiodomethane chcl2i  
954 CHClBr2 Methane, dibromochloro- chclbr2  
955 CHBr3 bromoform chbr3  
956 CHI3 Iodoform chi3  
957 NF3H+ protonated nitrogen trifluoride nf3h+  
958 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
959 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
960 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
961 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
962 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
963 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
964 C2H2Br2 1,1-dibromoethene c2h2br2  
965 CH2FCHO Fluoroacetaldehyde ch2fcho  
966 CH3COF Acetyl fluoride ch3cof  
967 CH2ClCHO chloroacetaldehyde ch2clcho  
968 CH3COCl Acetyl Chloride ch3cocl  
969 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
970 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
971 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
972 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
973 CH2CFCH3 2-fluoropropene 2fpro  
974 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
975 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
976 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
977 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
978 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
979 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
980 CH3CH2CH2Br n-propyl bromide prbr  
981 CH3CHBrCH3 i-propyl bromide iprbr  
982 C3H9O+ trimethyl oxonium cation c3h9o+  
983 C5H5 cyclopentadienyl radical c5h5  
984 C5H5- cylopentadienyl anion c5h5-  
985 C5H6 1,3-Cyclopentadiene c542927  
986 C5H6 1-Buten-3-yne, 2-methyl- c78808  
987 C5H6 3-Penten-1-yne, (E)- c2004695  
988 C5H6 3-Penten-1-yne, (Z)- c1574409  
989 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
990 C5H6 Cyclopropylacetylene c6746947  
991 C5H7 1,3-pentadienyl radical pdyl  
992 C5H7 cyclopentenyl radical cpyl  
993 C5H8 1,2-Butadiene, 3-methyl- c598254  
994 C5H8 1,2-Pentadiene c591957  
995 C5H8 1,3-Butadiene, 2-methyl- c78795  
996 C5H8 1,3-Pentadiene, (E)- c2004708  
997 C5H8 1,3-Pentadiene, (Z)- c1574410  
998 C5H8 1,4-Pentadiene c591935  
999 C5H8 1-pentyne a1pentyne  
1000 C5H8 2,3-Pentadiene c591968  
1001 C5H8 Cyclobutane, methylene- c1120565  
1002 C5H8 Cyclopentene c142290  
1003 C5H8 Ethenylcyclopropane c693867  
1004 CH3CCCH2CH3 2-Pentyne 2pentyne  
1005 C5H10 1-Butene, 2-methyl- c563462  
1006 C5H10 2-Butene, 2-methyl- c513359  
1007 C5H10 2-Pentene, (E)- c646048  
1008 C5H10 2-Pentene, (Z)- c627203  
1009 C5H10 Cyclopentane c287923  
1010 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1011 CH2CHCH2CH2CH3 1-pentene pentene  
1012 C5H11 2-Methylbut-2-yl radical c4348350  
1013 C5H12 Butane, 2-methyl- buta2  
1014 C5H12 Pentane pentane  
1015 C5H12 Propane, 2,2-dimethyl- neopentane  
1016 Si(CH3)4 tetramethylsilane tms  
1017 N2O3 Dinitrogen trioxide n2o3  
1018 C3H2N2 Malononitrile c3h2n2  
1019 CH2N4 1H-Tetrazole 1htz  
1020 C3H3N2 imidazolyl radical im  
1021 C3H3N2- imidizolyl anion im-  
1022 C2H3N3 1H-1,2,4-Triazole c288880  
1023 C4H4N pyrrolide radical c4h4n  
1024 C4H4N- pyrrolide anion c4h4n-  
1025 C3H4N2 1H-Imidazole 1himidaz  
1026 C3H4N2 1H-Pyrazole 1hpyraz  
1027 C3H4N2 4H-Imidazole imid4h  
1028 C4H5N (E)-2-Butenenitrile c627269  
1029 C4H5N (Z)-2-Butenenitrile c1190767  
1030 C4H5N 2H-pyrrole pyrrole2  
1031 C4H5N 3H-pyrrole pyrrole3  
1032 C4H5N Cyclopropanecarbonitrile c5500210  
1033 CH2CHCH2CN Allylcyanide ch2chch2cn  
1034 C4H6N+ pyrrole, alpha-protonated appyr  
1035 C4H6N+ pyrrole, beta-protonated bppyr  
1036 C4H6N+ pyrrole, protonated ppyr  
1037 C3H6N2 3-Aminopropionitrile c151188  
1038 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1039 CH3CH2CH2CN Butanenitrile c109740  
1040 C5H8 Bicyclo[2.1.0]pentane c185944  
1041 C5H8 Spiropentane c157404  
1042 C4H9N Cyclobutylamine cbam  
1043 C4H9N Pyrrolidine pyrrolidine  
1044 C3H10N2 1,2-Diaminopropane diampr12  
1045 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1046 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1047 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1048 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1049 NH(C2H5)2 diethylamine dea  
1050 NC4H12+ tetramethyl ammonium cation nc4h12+  
1051 C3O2+ Carbon suboxide cation c3o2+  
1052 MgCO3 Magnesium Carbonate mgco3  
1053 BeCO3 Beryllium Carbonate beco3  
1054 CaCO3 Calcium Carbonate caco3  
1055 ONONO Nitrosyl nitrite onono  
1056 PO4--- phosphate po4---  
1057 SO4-- sulfate so4--  
1058 HOONO2 peroxy nitric acid hoono2  
1059 HSO4- bisulfate anion hso4-  
1060 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1061 C3H2O2 Propiolic acid c3h2o2  
1062 CHOCOOH oxo acetic acid oaa  
1063 H2SO4 Sulfuric acid h2so4  
1064 H2SeO4 Selenic acid h2seo4  
1065 C3H3NO Oxazole oxazole  
1066 CH3C(O)OO acetyl peroxy radical ch3coo2  
1067 CH3NO3 Methyl nitrate ch3no3  
1068 H3PO4 Phosphoric Acid h3po4  
1069 C4H4O+ Furan cation furan+  
1070 C4H4S Thiophene furans  
1071 C3H4O2 β–Propiolactone beta  
1072 C3H4O2 2-Propenoic acid propenoic2  
1073 C3H4O2 Methyl glyoxal megly  
1074 C3H4O2 propanedial propanedial  
1075 C3H4O2 propenalol propenalol  
1076 HOCHCCHOH allenediol aldiol  
1077 C2H4O3 1,2,3-trioxolane c2h4o3  
1078 C2H4O3 trioxolane124 triox  
1079 HOCH2COOH Hydroxyacetic acid hac  
1080 CH2CHCONH2 Acrylamide c79061  
1081 CH3OCH2CN Methoxyacetonitrile c1738369  
1082 CH5N3S Hydrazinecarbothioamide c79196  
1083 H2NCH2COOH Glycine glycine  
1084 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1085 C4H6O cis-2-butenal butenal2c  
1086 C4H6O Cyclobutanone cbutone  
1087 C4H6O Furan, 2,3-dihydro- furan23h  
1088 C4H6O Furan, 2,5-dihydro- furan25h  
1089 CH2CHOCHCH2 Vinyl ether vinylether  
1090 CHOCHCHCH3 2-Butenal butenal2  
1091 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1092 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1093 CH2CHSCHCH2 Divinyl sulfide divis  
1094 C2H6N2O Urea, methyl- c598505  
1095 C3H6O2 1,3-Dioxolane dioxolane  
1096 CH3CH2COOH Propanoic Acid propanoic  
1097 CH3COOCH3 methyl acetate aame  
1098 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1099 C3H7NO dimethylformamide dmf  
1100 C3H7NO Propanamide propanam  
1101 C2H3OC2H5 Ethene, ethoxy- c109922  
1102 C4H8O Cyclobutanol c2919235  
1103 C4H8O Furan, tetrahydro- thf  
1104 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1105 CH3COCH2CH3 2-Butanone buta2one  
1106 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1107 CHOCH2CH2CH3 Butanal butanal  
1108 C3H8O2 1,3-Propanediol c504632  
1109 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1110 C3H8O2 Methane, dimethoxy- c109875  
1111 C3H8O2 Propylene glycol c57556  
1112 C3H8S2 1,3-Propanedithiol c109808  
1113 C4H10O 1-Butanol butanol1  
1114 C4H10O 1-Propanol, 2-methyl- c78831  
1115 C4H10O 2-Butanol, (.+/-.)- butanol2  
1116 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1117 C4H10O Propane, 2-methoxy- c598538  
1118 C4H10O+ 1-Butanol cation butanol1+  
1119 C2H5SC2H5 Diethyl sulfide etset  
1120 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1121 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1122 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1123 FNO3 Fluorine nitrate fno3  
1124 ClONO2 Chlorine nitrate clono2  
1125 BrONO2 Bromine nitrate brono2  
1126 TiCl4 Titanium tetrachloride ticl4  
1127 ClO4- perchlorate anion clo4-  
1128 BF4- tetrafluoroboron anion bf4-  
1129 ClFO3 Perchloryl fluoride clfo3  
1130 SO2F2 Sulfuryl fluoride so2f2  
1131 SO2Cl2 Sulfuryl chloride so2cl2  
1132 F3NO Nitrogen trifluoride oxide f3no  
1133 F3PO Phosphoryl fluoride pf3o  
1134 Cl3PO Phosphoryl chloride pcl3o  
1135 CF4 Carbon tetrafluoride cf4  
1136 SiF4 Silicon tetrafluoride sif4  
1137 TiF4 Titanium tetrafluoride tif4  
1138 CFCl3 Trichloromonofluoromethane cfcl3  
1139 CCl4+ Carbon tetrachloride cation ccl4+  
1140 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1141 SiCl4 Silane, tetrachloro- sicl4  
1142 CF3I trifluoroiodomethane cf3i  
1143 CBrCl3 Methane, bromotrichloro- cbrcl3  
1144 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1145 GeCl4 Germanium Tetrachloride gecl4  
1146 CCl3I trichloroiodomethane ccl3i  
1147 CFBr3 fluorotribromomethane cfbr3  
1148 CFClBrI fluorochlorobromoiodomethane cfclbri  
1149 CF2I2 difluorodiiodomethane cf2i2  
1150 CCl2I2 dichlorodiiodomethane ccl2i2  
1151 SiBr4 Silicon tetrabromide sibr4  
1152 CBr3I tribromoiododmethane cbr3i  
1153 CI4 tetraiodomethane ci4  
1154 SiI4 silicon tetraiodide sii4  
1155 ClOF3 Chlorine trifluoride oxide clof3  
1156 C2HF3 Trifluoroethylene c2hf3  
1157 C2HF3+ Trifluoroethylene cation c2hf3+  
1158 CHClCCl2 Trichloroethylene chclccl2  
1159 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1160 HClO4 perchloric acid hclo4  
1161 HSO3F Fluorosulfonic acid hso3f  
1162 CF3OH trifluoromethanol cf3oh  
1163 CHClCCHCl 1,3-dichloroallene chclcchcl  
1164 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1165 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1166 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1167 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1168 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1169 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1170 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1171 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1172 NH3BCl3 Amminetrichloroboron nh3bcl3  
1173 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1174 C3H5ClO Oxirane, (chloromethyl)- c106898  
1175 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1176 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1177 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1178 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1179 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1180 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1181 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1182 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1183 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1184 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1185 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1186 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1187 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1188 C4H9F 1-fluorobutane butaf1  
1189 CH3CHFCH2CH3 2-fluorobutane butaf2  
1190 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1191 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1192 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1193 XeF4 Xenon tetrafluoride xef4  
1194 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1195 NH3BF3 Amminetrifluoroboron nh3bf3  
1196 C6H2 hexatriyne c6h2  
1197 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1198 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1199 C6H4 Benzyne benzyne  
1200 C6H5 phenyl phenyl  
1201 C6H5- phenyl anion phenyl-  
1202 C6H6 2,4-Hexadiyne hexadiyne  
1203 C6H6 3,4-Dimethylenecyclobutene cb34m  
1204 C6H6 Hexa-1,5-diene-3-yne hdy153  
1205 C6H6 Trimethylenecycopropane tmcp  
1206 C6H6+ Benzene cation c6h6+  
1207 C6H7+ benzene, protonated c6h7+  
1208 C6H8 (E)-hexa-1,3,5-triene c821078  
1209 C6H8 (E)-hexa-2,3,4-triene c59660650  
1210 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1211 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1212 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1213 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1214 C6H8 3-Methylenecyclopentene c930267  
1215 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1216 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1217 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1218 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1219 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1220 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1221 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1222 C6H10 1,5-Hexadiene c592427  
1223 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1224 C6H10 1-Hexyne hexyne1  
1225 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1226 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1227 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1228 C6H10 2-Hexyne c764352  
1229 C6H10 3-Hexyne hexyne3  
1230 C6H10 cyclohexene cyclohexene  
1231 C6H10 Cyclopentene, 1-methyl- c693890  
1232 C6H10 Cyclopentene, 3-methyl- c1120623  
1233 C6H10 Cyclopentene, 4-methyl- c1759815  
1234 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1235 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1236 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1237 C6H12 (E)-2-Hexene e2hexene  
1238 C6H12 (E)-3-methylpent-2-ene c616126  
1239 C6H12 (E)-hex-3-ene e3hexene  
1240 C6H12 (Z)-3-methylpent-2-ene c922623  
1241 C6H12 (Z)-hex-2-ene z2hexene  
1242 C6H12 (Z)-hex-3-ene z3hexene  
1243 C6H12 2,3-dimethylbut-1-ene c563780  
1244 C6H12 2,3-dimethyl-but-2-ene tmeet  
1245 C6H12 3-methylenepentane c760214  
1246 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1247 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1248 C6H12 Cyclohexane cyclohexane  
1249 C6H12 Cyclopentane, methyl- c96377  
1250 C6H12 Ethylcyclobutane c4806615  
1251 C6H12 hex-1-ene hexene1  
1252 C6H14 Butane, 2,2-dimethyl- buta22  
1253 C6H14 Butane, 2,3-dimethyl- buta23  
1254 C6H14 Hexane hexane  
1255 C6H14 Pentane, 2-methyl- penta2  
1256 C6H14 Pentane, 3-methyl- penta3  
1257 C4N2 2-Butynedinitrile c4n2  
1258 C4H2N2 Fumaronitrile c4h2n2  
1259 C2H2N4 sym-tetrazine ttz  
1260 C3H3N3 1,3,5-Triazine triazine135  
1261 CH3N5 5-Aminotetrazole c4418615  
1262 C4H4N2 1,3-Diazine diazine13  
1263 C4H4N2 Pyrazine pyrazine  
1264 C4H4N2 Pyridazine pyridazine  
1265 C4H4N2 Succinonitrile c110612  
1266 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1267 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1268 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1269 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1270 C5H5N E-2,4-pentadienenitrile bdcn  
1271 C5H5N Pyridine pyridine  
1272 B3N3H6 borazine borazine  
1273 C6H6 Fulvene fulvene  
1274 C5H6N+ Pyridinium c5h6n  
1275 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1276 C5H7N (E)-2-Pentenenitrile c26294984  
1277 C5H7N (E)-3-Pentenenitrile c16529661  
1278 C5H7N (Z)-2-Pentenenitrile c25899507  
1279 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1280 C5H7N Cyclobutanecarbonitrile c4426113  
1281 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1282 C5H9N Butanenitrile, 2-methyl- c18936179  
1283 C5H9N Pentanenitrile c110598  
1284 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1285 C6H10 Bicyclo[3.1.0]hexane c285585  
1286 C5H11N Cyclopentanamine cypentam  
1287 C5H11N Piperidine piper  
1288 C4H12N2 1,2-Butanediamine c4426486  
1289 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1290 Li2CO3 Lithium Carbonate li2co3  
1291 Na2CO3 Sodium Carbonate na2co3  
1292 C2O4-- oxalate anion c2o4  
1293 MgSO4 Magnesium Sulfate mgso4  
1294 C2H2O4 Oxalic Acid oxalic  
1295 C2H3NO3 Oxamic acid oxamic  
1296 C4H4O2 2(5H)-Furanone furanone  
1297 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1298 C2H4N2O2 Oxalamide oxalamide  
1299 C2H4N2S2 Ethanedithioamide c79403  
1300 C2H4CO3 Ethylene carbonate etco3  
1301 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1302 C3H4S3 1,3-Dithiolane-2-thione c822388  
1303 C2H4O4 Formic acid dimer fadimer  
1304 C4H5NO 3-Methylisoxazole isox3m  
1305 C4H5NO Isoxazole, 5-methyl- c5765446  
1306 C4H5NS 4-Methylthiazole c693958  
1307 C2H5NO3 Nitric acid, ethyl ester c625581  
1308 C5H6O 2-methylfuran furan2m  
1309 C5H6O 3-Methylfuran furan3m  
1310 C5H6S Thiophene, 2-methyl- c554143  
1311 C5H6S Thiophene, 3-methyl- c616444  
1312 C4H6O2 2,3-Butanedione c431038  
1313 C4H6O2 2-Propenoic acid, methyl ester c96333  
1314 C4H6O2 Crotonic Acid crot  
1315 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1316 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1317 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1318 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1319 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1320 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1321 C4H6OS Vinyl sulfoxide c1115157  
1322 CH6N4S Carbonothioic dihydrazide thiacarb  
1323 C2H6N2O2 (E)-Azodioxymethane c37765154  
1324 C2H6N2O2 Dimethylnitroamine c4164287  
1325 C3H6S3 1,3,5-Trithiane c3h6s3  
1326 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1327 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1328 C4H7NO 2-Pyrrolidinone c616455  
1329 C4H7NO Ethoxyacetonitrile etoaccn  
1330 C4H7NO Methacrylamide c79390  
1331 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1332 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1333 C3H7ONO Propyl nitrite prono  
1334 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1335 CH3CH(NH2)COOH Alanine alanine  
1336 CH3NHCH2COOH Sarcosine sarcosine  
1337 NH2CH2CH2COOH β–alanine betaalanine  
1338 NH2COOC2H5 Urethane urethane  
1339 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1340 C5H8O Cyclopentanone c120923  
1341 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1342 C5H8O Methyl cyclopropyl ketone c765435  
1343 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1344 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1345 NH2CONHC2H5 Urea, ethyl- c625525  
1346 C4H8O2 1,3-Dioxane dioxan13  
1347 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1348 C4H8O2 1,4-Dioxane dioxan14  
1349 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1350 C4H8OS s-Ethyl thioacetate c625605  
1351 C3H8O3 1,2,3-Propanetriol glycerin  
1352 C3H8O2S (Methylsulfonyl)ethane c594434  
1353 C4H9NO Butanamide c541355  
1354 C4H9NO Propanamide, 2-methyl- c563837  
1355 C5H10O 2-Butanone, 3-methyl- c563804  
1356 C5H10O 2H-Pyran, tetrahydro- c142687  
1357 C5H10O 2-methylbutyraldehyde 2meba  
1358 C5H10O 2-Pentanone mpk  
1359 C5H10O Cyclopentanol c96413  
1360 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1361 C5H10O Pentanal pal  
1362 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1363 C5H10S 3-Ethylthio-1-propene c5296628  
1364 C5H10S Cyclopentanethiol c1679078  
1365 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1366 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1367 C4H10O2 1,1-Dimethoxyethane c534156  
1368 C4H10O2 1,3-Butanediol budiol13  
1369 C4H10O2 1,4-Butanediol budiol14  
1370 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1371 C4H10OS Diethyl sulfoxide c70291  
1372 C4H10S2 1,4-Butanedithiol budisl14  
1373 C4H11NO Diethylhydroxylamine c3710847  
1374 C5H12O 1-Butanol, 2-methyl- c137326  
1375 C5H12O 1-Butanol, 3-methyl- c123513  
1376 C5H12O 1-Pentanol pentanol1  
1377 C5H12O 2-Butanol, 3-methyl- c598754  
1378 C5H12O 2-Pentanol peol2  
1379 C5H12O 3-Pentanol pentan3ol  
1380 C5H12O Butane, 1-methoxy- meobu  
1381 C5H12O Propane, 1-ethoxy- proet  
1382 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1383 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1384 C5H12S 1-Butanethiol, 3-methyl- c541311  
1385 C5H12S 1-Pentanethiol c110667  
1386 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1387 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1388 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1389 C5H12S Butane, 1-(methylthio)- c628295  
1390 C5H12S Ethyl propyl sulfide c4110503  
1391 C5H12S Propane, 2-(ethylthio)- c5145993  
1392 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1393 ClCOClCO Oxalyl chloride oxcl  
1394 CF3CN Acetonitrile, trifluoro- cf3cn  
1395 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1396 B2F4 Diboron tetrafluoride b2f4  
1397 B2Cl4 Diboron tetrachloride b2cl4  
1398 C2F4 Tetrafluoroethylene c2f4  
1399 C2F4+ Tetrafluoroethylene cation c2f4+  
1400 CF2CCl2 difluorodichloroethylene cf2ccl2  
1401 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1402 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1403 C2FCl3 fluorotrichloroethene c2fcl3  
1404 C2Cl4 Tetrachloroethylene c2cl4  
1405 CF3OF Trifluoromethylhypofluorite cf3of  
1406 SOF4 Sulfur tetrafluoride oxide sof4  
1407 AsF5 Arsenic pentafluoride asf5  
1408 PCl5 Phosphorus pentachloride pcl5  
1409 SF5 Sulfur pentafluoride sf5  
1410 SF5+ pentafluoro sulfur cation sf5+  
1411 SbCl5 Antimony pentachloride sbcl5  
1412 BrF5 bromine pentafluoride brf5  
1413 ClF5 chlorinepentafluoride clf5  
1414 IF5 pentafluoroiodine if5  
1415 CF3CHO trifluoroacetaldehyde cf3cho  
1416 CCl3CHO trichloroacetaldehyde ccl3cho  
1417 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1418 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1419 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1420 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1421 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1422 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1423 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1424 CF3COOH trifluoroacetic acid cf3cooh  
1425 C4H3ClO Furan, 2-chloro fur2cl  
1426 C4H3ClO Furan,3-chloro fur3cl  
1427 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1428 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1429 C4H8Cl2 1,4-Dichlorobutane c110565  
1430 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1431 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1432 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1433 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1434 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1435 C5H11Cl Pentane, 1-chloro- pencl1  
1436 C4H8O2 Butanoic acid bua  
1437 C6H5CH2 benzyl radical benzyl  
1438 C6H5CH3 toluene toluene  
1439 C7H8 cycloheptatriene cht  
1440 C7H8 Norbornadiene norbor  
1441 C7H8 Quadricyclane qucy  
1442 C7H12 Norbornane nor  
1443 C7H14 cycloheptane c7h14  
1444 C7H16 2-methylhexane 2mhex  
1445 C7H16 3-methylhexane hex3m  
1446 C7H16 heptane heptane  
1447 C6H7N 2-Methylpyridine mp  
1448 C6H5NH2 aniline aniline  
1449 C6H13N 2-Methylpiperidine pip2m  
1450 C6H13N cyclohexanamine cham  
1451 C6H15N triethylamine tea  
1452 N2O5 Dinitrogen pentoxide n2o5  
1453 C4H2O3 Maleic Anhydride malan  
1454 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1455 C6H5O phenoxy radical phenoxy  
1456 C5H5NO 2(1H)-Pyridinone c72762006  
1457 C5H5NO 2(3H)-Pyridinone c9000048  
1458 C5H5NO 2(5H)-Pyridinone c9000037  
1459 C5H5NO 2-Pyridinol c109104  
1460 C5H5NO 3(2H)-Pyridinone c9000004  
1461 C5H5NO 3(4H)-Pyridinone c9000026  
1462 C5H5NO 3(6H)-Pyridinone c9000015  
1463 C5H5NO 3-Pyridinol c109002  
1464 C5H5NO 4(1H)-Pryidinone c9000060  
1465 C5H5NO 4(3H)-Pryidinone c9000059  
1466 C5H5NO 4-Pyridinol c626642  
1467 C6H5OH phenol phenol  
1468 C6H6O 2,4-Cyclohexadienone c24599573  
1469 C6H6O 2,5-Cyclohexadienone c5664335  
1470 C6H5SH Benzenethiol phsh  
1471 HO2CCHNH2CH2OH Serine serine  
1472 C5H8O2 Acetylacetone acac  
1473 C4H8O2S Sulfolane sulfolane  
1474 C7H10 Norbornene norbornene  
1475 CH(C2H3)3 trivinyl methane tvm  
1476 C6H10O cyclohexanone chexo  
1477 C6H12O hexanal c6h12o  
1478 C3H7OC3H7 di-n-propyl ether propr  
1479 CF3COO- trifluoro acetate anion cf3coo-  
1480 CF3COF trifluoroacetyl fluoride cf3cof  
1481 CF3COCl trifluoroacetyl chloride cf3cocl  
1482 PF6 Hexafluorophosphate neutral pf6  
1483 PF6- Hexafluorophosphate ion pf6-  
1484 SeF6 Selenium hexafluoride sef6  
1485 SF5Cl sulfur chloropentafluoride sf5cl  
1486 CF3CHF2 pentafluoroethane cf3chf2  
1487 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1488 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1489 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1490 CCl3CHCl2 pentachloroethane ccl3chcl2  
1491 C6H5F Fluorobenzene bzf  
1492 C6H5Cl chlorobenzene bzcl  
1493 C6H5Br bromobenzene bzbr  
1494 C8H6 Calicene calicene  
1495 C6H5CCH phenylacetylene phac  
1496 C8H6 benzocyclobutadiene bcbd  
1497 C8H6 Pentalene pentalene  
1498 C6H5CHCH2 Styrene styrene  
1499 C8H8 cyclooctatetraene cot  
1500 C6H5CH2CH3 Ethylbenzene etbz  
1501 CH3C6H4CH3 meta-xylene mxylene  
1502 CH3C6H4CH3 paraxylene pxylene  
1503 C8H14 Bicyclo[2.2.2]octane bico222  
1504 C8H16 cyclooctane cyclooct  
1505 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1506 C8H18 Octane c8h18  
1507 C6H5CN phenyl cyanide phcn  
1508 C6H12N2 Triethylenediamine ted  
1509 C4O4-- squarate dianion c4o4--  
1510 S8 Octasulfur s8  
1511 C6H4O2 parabenzoquinone pbq  
1512 C4H4N2O2 Uracil uracil  
1513 C6H5OCH3 Anisole anisole  
1514 C5H9NO2 Proline proline  
1515 C6H12O2 Methyl pivalate c598981  
1516 C6H12O2 Hexanoic acid hexa  
1517 C4F4 tetrafluorcyclobutadiene c4f4  
1518 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1519 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1520 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1521 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1522 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1523 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1524 C2F6 hexafluoroethane c2f6  
1525 C2Cl6 hexachloroethane c2cl6  
1526 IF7 Iodine heptafluoride if7  
1527 C6H4F2 metadifluorobenzene mdfb  
1528 C6H4F2 orthodifluorobenzene odfb  
1529 C6H4Cl2 1,2-dichlorobenzene dcb12  
1530 C6H4Cl2 1,3-dichlorobenzene dcb13  
1531 C9H8 Indene indene  
1532 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1533 C9H12 n-propyl benzene prbz  
1534 C9H20 Nonane nonane  
1535 C(CN)4 tetracyanomethane c5n4  
1536 C5H4N4 purine purine  
1537 C8H7N Indole indole  
1538 C3H3N3O3 cyanuric acid cyanuric  
1539 C6H5NO2 Nitrobenzene c6h5no2  
1540 C6H5COOH benzoic acid benzo  
1541 CH3COC6H5 acetophenone acph  
1542 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1543 C6H3F3 Benzene trifluoride 123 bzf3a  
1544 C10H8 Azulene azu  
1545 C10H8 naphthalene naph  
1546 C10H16 adamantane adamantane  
1547 C6N4 Tetracyanoethylene tcne  
1548 C6N4- tetracyanoethylene anion tcne-  
1549 C10H22 Decane decane  
1550 C4F6 perfluorobutadiene c4f6  
1551 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1552 C3F8 perfluoropropane c3f8  
1553 Fe(CO)5 Iron pentacarbonyl ipc  
1554 Fe(C5H5)2 ferrocene fecp2  
1555 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1556 C12H8 Acenaphthylene acenaph  
1557 C12H8 biphenylene biph  
1558 C12H10 biphenyl biphenyl  
1559 C12H10 Heptalene heptalene  
1560 C6H12O6 Inositol inositol  
1561 C6F6 hexafluorobenzene c6f6  
1562 S2F10 disulphur decafluoride s2f10  
1563 C14H10 Anthracene anth  
1564 C14H10 Phenanthrene phenanthrene  
1565 C12H10N2 azobenzene azobenzene  
1566 C6H5COC6H5 benzophenone benzophenone  
1567 C16H10 Pyrene pyrene  
1568 C18H12 Tetracene tetracene  
1569 C19H16 Triphenylmethane tpm  
1570 C24H12 Coronene coronene  
1571 C60 Buckminsterfullerene c60