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Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
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XXH-bond dimers
XXIOddities

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

List of which calculations are completed at QCISD(TQ) /6-31+G**

Jump to calculations not yet done
count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 He Helium atom 1SKh
3 He Helium atom   
4 Li Lithium atom 2SKh
5 KH Potassium hydride 1ΣC∞v
6 MgH magnesium monohydride 2ΣC∞v
7 MgH2 magnesium dihydride 1ΣgD∞h
8 B Boron atom 2PKh
9 Al- Aluminum atom anion 3PKh
10 Sc Scandium atom 2DKh
11 Sc+ Scandium cation 3DKh
12 BH Boron monohydride 1ΣC∞v
13 BH Boron monohydride 3ΠC∞v
14 ScH Scandium monohydride 1ΣC∞v
15 GaH+ Gallium monohydride cation 2ΣC∞v
16 BH3+ boron trihydride cation 2B2C2v
17 BH3+ boron trihydride cation  C2v
18 AlH3 aluminum trihydride 1A1'D3h
19 AlH3- aluminum trihydride anion  C3v
20 ScH3 Scandium trihydride 1A1'D3h
21 ScH3 Scandium trihydride 1A1C3v
22 BH4 borohydride 2B2C2v
23 BH4- borohydride anion 1A1Td
24 C Carbon atom 3P0Kh
25 C Carbon atom 3P1Kh
26 C- Carbon atom anion 2DKh
27 Si Silicon atom 3PKh
28 Si Silicon atom 1SKh
29 Si- Silicon atom anion 4SKh
30 SiH Silylidyne 2ΠC∞v
31 SiH+ silicon monohydride cation 1ΣC∞v
32 GeH germylidene 2ΠC∞v
33 GeH+ Germaniun monohyrdide cation 1ΣC∞v
34 CH2 Methylene 3B1C2v
35 CH2 Methylene 3ΣGD∞h
36 CH2 Methylene 1A1C2v
37 CH2- methylene anion 2B1C2v
38 CH2+ methylene cation 2A1C2v
39 CH2+ methylene cation 2ΠD∞h
40 GeH2 germylene 1A1C2v
41 CH3 Methyl radical 2A1D3h
42 CH3- methyl anion 1A1C3v
43 CH3+ methyl cation 1A1'D3h
44 SiH3 Silyl radical 2A1C3v
45 SiH3+ Silyl cation 1A1'D3h
46 CH4 Methane 1A1Td
47 CH4- Methane anion 2A1Td
48 CH4- Methane anion 2A1C3v
49 SiH2D2 silane-d2   
50 SiH4 Silane 1A1Td
51 GeH4 Germane 1A1Td
52 SiH5+ Silane, protonated   
53 N Nitrogen atom 4SKh
54 N Nitrogen atom 2DKh
55 N+ Nitrogen atom cation 3PKh
56 P Phosphorus atom 4SKh
57 V Vanadium atom 4FKh
58 V+ Vanadium atom cation 5DKh
59 As Arsenic atomic 4SKh
60 As- Arsenic anion 3PKh
61 As+ Arsenic cation 3PKh
62 PH phosphorus monohydride 3Σ-C∞v
63 NH2 Amino radical 2B1C2v
64 NH2+ Amino cation 3B1C2v
65 NH2+ Amino cation 1A1C2v
66 NH3 Ammonia 1A1C3v
67 NH3- Ammonia anion 2A1C3v
68 NH3+ ammonia cation 2A2"D3h
69 PH3 Phosphine 1A1C3v
70 PH3+ Phosphine cation 2A1C3v
71 NH4+ ammonium cation 1A1Td
72 PH4 Phosphoranyl radical   
73 PH4+ phosphonium cation   
74 O Oxygen atom 3SKh
75 O+ Oxygen atom cation 4SKh
76 S Sulfur atom 3PKh
77 S- Sulfur atom anion 2PKh
78 S+ Sulfur atom cation 4SKh
79 OH Hydroxyl radical 2ΠC∞v
80 OH- hydroxide anion 1ΣC∞v
81 OH+ hydoxyl cation 3ΣC∞v
82 HS Mercapto radical 2ΠC∞v
83 HS- mercapto anion 1ΣC∞v
84 HS+ sulfur monohydride cation 3ΣC∞v
85 CrH+ Chromium hydride cation 5ΣC∞v
86 HSe+ selenium monohydride cation 3ΣC∞v
87 H2O Water 1A1C2v
88 H2O- water anion 2A1C2v
89 H2O- water anion 2A'Cs
90 H2O+ water cation 2B1C2v
91 HDO Water-d1 1A1C2v
92 H2S Hydrogen sulfide 1A1C2v
93 H2S+ Hydrogen sulfide cation 2B1C2v
94 H2Se Hydrogen selenide 1A1C2v
95 H3O+ hydronium cation 1A1C3v
96 H3S+ Sulfonium cation 1A1C3v
97 H3Se+ Hydrogen Selenide, protonated 1A1C3v
98 F Fluorine atom 2PKh
99 F- Fluorine atom anion 1SKh
100 F+ Fluorine atom cation 3SKh
101 F+ Fluorine atom cation 1DKh
102 Cl Chlorine atom 2PKh
103 Cl- Chlorine atom anion 1SKh
104 Cl+ Chlorine atom cation 3PKh
105 Cl+ Chlorine atom cation 1DKh
106 HF Hydrogen fluoride 1ΣC∞v
107 HCl Hydrogen chloride 1ΣC∞v
108 HCl+ hydrogen chloride cation 2ΠC∞v
109 HBr hydrogen bromide 1ΣC∞v
110 H2Cl+ dihydrogen monochloride cation 1A1C2v
111 H2Br+ protonated hydrogen bromide 2A1C2v
112 Ne Neon atom 1SKh
113 Ne Neon atom   
114 Ne+ Neon atom cation 2PKh
115 Ar Argon atom 1SKh
116 Kr Krypton atom 1SKh
117 Kr+ Krypton cation 2PKh
118 ArH+ Argon hydride cation 1ΣC∞v
119 KrH+ Protonated Krypton 1ΣC∞v
120 H2Ar H2 Ar dimer 1ΣC∞v
121 Na2+ sodium diatomic cation 2ΣgD∞h
122 NaK+ Sodium Potassium diatomic cation 1
123 BeMg Beryllium Magnesium 1ΣC∞v
124 NaAl Sodium aluminum 1ΣC∞v
125 BeB Beryllium monoboride 2ΠC∞v
126 B2 Boron diatomic 1ΣgD∞h
127 B2+ Boron diatomic cation 2ΠD∞h
128 BAl Boron Aluminum 3ΣC∞v
129 BGa Boron Gallium 3ΣC∞v
130 AlGa Aluminum Gallium 3ΣC∞v
131 AlGa Aluminum Gallium 1ΣC∞v
132 Ga2 Gallium diatomic 3Piu 
133 HBBH Diborane(2) 3ΣGD∞h
134 B2H4 Diborane(4) D2d 1A1D2d
135 HBHHBH Diborane(4) C2V 1A1C2v
136 B2H6 Diborane 1AgD2h
137 B2H6+ Diborane cation   
138 Ga2H6 digallane 1AGD2h
139 BeC Beryllium Carbide 3Σ-C∞v
140 BeC Beryllium Carbide   
141 CaC Calcium monocarbide   
142 AlC Aluminum carbide 4ΣC∞v
143 BSi Boron silicide 4ΣC∞v
144 BSi Boron silicide 2ΣC∞v
145 C2 Carbon diatomic 1Σg+D∞h
146 C2 Carbon diatomic 3Σg- 
147 C2+ carbon diatomic cation 4ΣgD∞h
148 SiGe Silicon Germanium   
149 C2H Ethynyl radical 2ΣC∞v
150 C2H2 Acetylene 1ΣgD∞h
151 C2H2+ acetylene cation 2ΠuD∞h
152 H2CC- vinylidene anion   
153 CH3Li methyl lithium 1A1C3v
154 CH2BH methyleneborane 1A1C2v
155 C2H3 vinyl 2A'Cs
156 C2H3- vinyl anion 1A'Cs
157 C2H4 Ethylene 1AgD2h
158 C2H4- Ethylene anion 2AgC2h
159 C2H4+ Ethylene cation 2B3D2
160 CH3BH2 methylborane 1A'Cs
161 C2H5 Ethyl radical 2A'Cs
162 C2H6 Ethane 1A1gD3d
163 Si2H6 disilane 1EuD3d
164 LiP Lithium monophosphide   
165 LiP Lithium monophosphide   
166 BeN+ Beryllium mononitride cation 3ΣC∞v
167 BeN+ Beryllium mononitride cation 1ΣC∞v
168 MgN Magnesium Nitride   
169 BP Boron monophosphide 3ΠC∞v
170 BP Boron monophosphide 1ΣC∞v
171 AlP Aluminum monophosphide 3ΣC∞v
172 AlP Aluminum monophosphide 3ΠC∞v
173 AlP Aluminum monophosphide 1ΣC∞v
174 GaN Gallium mononitride 1ΣC∞v
175 GaP Gallium monophosphide 3ΣC∞v
176 GaP Gallium monophosphide 1ΣC∞v
177 GaAs Gallium arsenide 3Π 
178 GaAs Gallium arsenide 1Σ 
179 BN boron nitride 3ΠC∞v
180 BN boron nitride 1ΣC∞v
181 CN Cyano radical 2ΣC∞v
182 CN- cyanide anion 1ΣC∞v
183 SiP Silicon monophosphide 2ΠC∞v
184 N2 Nitrogen diatomic 1ΣgD∞h
185 N2- nitrogen diatomic anion 2ΠgD∞h
186 HCN Hydrogen cyanide 1ΣC∞v
187 HCN+ hydrogen cyanide cation 2ΠC∞v
188 HNC+ hydrogen isocyanide cation   
189 NNH+ Dinitrogen monohydride cation 1ΣC∞v
190 N2H2 (E)-diazene 1AgC2h
191 N2H2 (Z)-Diazene 1A1C2v
192 N2H2+ trans-diazene cation 2AGC2h
193 CH2NH+ Methanimine cation   
194 CH2NH2+ methyleneamine cation 1A1C2v
195 N2H4+ hydrazine cation 2AGC2h
196 CH3NH2 methyl amine 1A'Cs
197 CH3NH2+ methyl amine cation 2A'Cs
198 BH3PH3 borane phosphine   
199 N2H7+ ammonia ammonium dimer   
200 LiO lithium oxide 2ΣC∞v
201 LiS Lithium monosulfide 2ΠC∞v
202 LiS+ Lithium sulfide cation 3ΣC∞v
203 NaO sodium monoxide 2ΣC∞v
204 KO Potassium monoxide 2ΣC∞v
205 KO+ Potassium monoxide cation 3ΣC∞v
206 NaS Sodium sulfide 2ΠC∞v
207 CaS Calcium sulfide 1ΣC∞v
208 BO boron monoxide 2ΣC∞v
209 ScO Scandium monoxide 2ΣC∞v
210 CO Carbon monoxide 1ΣC∞v
211 CO- carbon monoxide anion 2ΠC∞v
212 CO+ carbon monoxide cation 2ΣC∞v
213 TiO Titanium monoxide 3ΔC∞v
214 GeO+ Germanium monoxide cation 2ΣC∞v
215 GeS Germanium monosulfide 1ΣC∞v
216 SiSe Silicon Monoselenide   
217 SiSe+ Silicon Monoselenide cation   
218 NO Nitric oxide 2ΠC∞v
219 NO- nitric oxide anion 3ΣC∞v
220 NO+ nitric oxide cation 1ΣC∞v
221 NS Mononitrogen monosulfide 2ΠC∞v
222 PO Phosphorus monoxide 2ΠC∞v
223 PS phosphorus sulfide 2ΣC∞v
224 VO Vanadium monoxide 4Σ- 
225 NSe Nitrogen monoselenide 2ΠC∞v
226 AsS Arsenic monosulfide 2ΠC∞v
227 PSe Phosphorus monoselenide 2ΠC∞v
228 AsSe Arsenic monoselenide 2ΠC∞v
229 O2 Oxygen diatomic 3ΣgD∞h
230 O2- oxygen diatomic anion 2ΠD∞h
231 SO+ sulfur monoxide cation 2ΠC∞v
232 S2 Sulfur diatomic 3ΣgD∞h
233 LiOH lithium hydroxide 1ΣC∞v
234 BeOH beryllium monohydroxide 2ΣC∞v
235 HBO Boron hydride oxide 1ΣC∞v
236 COH Hydroxymethylidyne   
237 COH+ Carbon Monoxide, protonated 1ΣC∞v
238 HCO- formyl anion 1A'Cs
239 HNO+ Nitrosyl hydride cation 2A'Cs
240 NOH Hydroxyimidogen 3A"Cs
241 NOH+ O-protonated nitric oxide 2A'Cs
242 HO2 Hydroperoxy radical 2A"Cs
243 HO2+ Hydroperoxy cation 3A"Cs
244 HSO+ Sulfur Monoxide, S-protonated   
245 SOH+ Sulfur Monoxide, protonated   
246 H2CO Formaldehyde 1A1C2v
247 H2CO- formaldehyde anion 2A'Cs
248 H2CO+ formaldehyde cation 2B2C2v
249 H2CS Thioformaldehyde 1A1C2v
250 H2NO nitroxide 2B1C2v
251 H2NO nitroxide 2A'Cs
252 H2O2 Hydrogen peroxide 1AC2
253 H2O2 Hydrogen peroxide 1AgC2h
254 H2S2 Disulfane 1AC2
255 H2S2+ hydrogen disulfide cation 2BgC2h
256 CH2OH Hydroxymethyl radical 2AC1
257 CH3O+ Methoxy cation 3A1C3v
258 NH2OH hydroxylamine 1A'Cs
259 NH2OH+ Hydroxylamine cation   
260 CH3OH- Methyl alcohol anion 2A'Cs
261 CH3OH- Methyl alcohol anion 2A'CS eclipsed
262 CH3SH Methanethiol 1A'Cs
263 CH3SH+ Methanethiol cation 2A"Cs
264 H2OH2O water dimer 1A'Cs
265 LiCl lithium chloride 1ΣC∞v
266 NaF sodium fluoride 1ΣC∞v
267 NaCl Sodium Chloride 1ΣC∞v
268 MgF+ magnesium fluoride cation 1ΣC∞v
269 ZnF Zinc monofluoride 2ΣC∞v
270 BF Boron monofluoride 1ΣC∞v
271 ScF Scandium monofluoride 1ΣC∞v
272 GaF+ Gallium monofluoride cation 2ΣC∞v
273 CF Fluoromethylidyne 2ΠC∞v
274 SiF silicon monofluoride 2ΠC∞v
275 SiF+ silicon monofluoride cation 1ΣC∞v
276 CBr Carbon monobromide 2ΠC∞v
277 NCl nitrogen monochloride 3ΣC∞v
278 AsF Arsenic monofluoride 3ΣC∞v
279 AsCl Arsenic monochloride 3ΣC∞v
280 FO Oxygen monofluoride 2ΠC∞v
281 SF Monosulfur monofluoride 2ΠC∞v
282 SeF Selenium monofluoride 2ΠC∞v
283 SeCl Selenium monochloride 2ΠC∞v
284 F2 Fluorine diatomic 1ΣgD∞h
285 F2- flourine diatomic anion 2ΣuD∞h
286 F2+ flourine diatomic cation 2ΠgD∞h
287 ClF Chlorine monofluoride 1Σ+C∞v
288 Cl2 Chlorine diatomic 1ΣgD∞h
289 Cl2+ chlorine diatomic cation 2ΠgD∞h
290 HCF Fluoromethylene 1A'Cs
291 HCF Fluoromethylene 3A"Cs
292 HOCl+ hypochlorous acid cation   
293 ClFH+ Chlorine fluoride, F-protonated   
294 FClH+ Chlorine fluoride, Cl-protonated   
295 CH2F fluoromethyl radical 2ACs
296 CH3F Methyl fluoride 1A1C3v
297 CH3Cl Methyl chloride 1A1C3v
298 NH4Cl Ammonium chloride   
299 LiNe+ Lithium Neon cation   
300 Ne2+ Neon diatomic cation 2ΣuD∞h
301 Ar2 Argon diatomic 1SgD∞h
302 Ar2+ Argon diatomic cation 2ΣuD∞h
303 Li3+ Lithium trimer cation 1A1'D3h
304 C3 carbon trimer 1ΣgD∞h
305 C3 carbon trimer 1A1C2v
306 C3H3 cyclopropenyl radical 2A'Cs
307 C3H5 Allyl radical 2A2C2v
308 C3H5 Allyl radical 2A"Cs
309 C3H6 Cyclopropane 1A1'D3h
310 CH2CHCH3 Propene 1A'Cs
311 LiCN lithium cyanide 1ΣC*V LiCN
312 LiCN lithium cyanide 1A'Cs
313 LiCN lithium cyanide 1ΣC*V LiNC
314 NaCN Sodium Cyanide 1ΣC∞v
315 NaCN Sodium Cyanide 1ACs
316 KCN Potassium cyanide 1ΣC∞v
317 KCN Potassium cyanide 1ΣC∞v
318 KCN Potassium cyanide 1A'Cs
319 N3 azide radical 2ΠgD∞h
320 N3+ azide cation 3ΣgD∞h
321 N3+ azide cation 3ΣC∞v
322 HCCN cyanomethylene 3A"Cs
323 NH2CN cyanamide 1A1C2v
324 CH2CHNH vinylazine 2A"CS cis
325 Li2O dilithium oxide 1ΣgD∞h
326 Li2S dilithium sulfide 1ΣGD∞h
327 Li2S dilithium sulfide 1A1C2v
328 CCO Dicarbon monoxide 3ΣC∞v
329 CCO Dicarbon monoxide 1ΠC∞v
330 NCO isocyanato radical 2ΠC∞v
331 N2O Nitrous oxide 1ΣC∞v
332 N2O- Nitrous oxide anion 2A'Cs
333 CO2 Carbon dioxide 1ΣgD∞h
334 OCS Carbonyl sulfide 1ΣC∞v
335 TiO2 Titanium dioxide 1A1C2v
336 SiS2 Silicon disulfide 1ΣGD∞h
337 NO2 Nitrogen dioxide 2A1C2v
338 NO2+ Nitrogen dioxide cation 1ΣGD∞h
339 O3 Ozone 1A1Cs
340 SO2 Sulfur dioxide 1A1C2v
341 S3 Sulfur trimer 1A1C2v
342 S3+ Sulfur trimer cation 2B2C2v
343 HCNO fulminic acid 1ΣC∞v
344 HCNO fulminic acid 1A'Cs
345 HNNO+ Nitrous oxide, N-protonated 1A'Cs
346 NNOH+ Nitrous Oxide, O-protonated 1A'Cs
347 O3H+ protonated ozone 1A'Cs
348 Be(OH)2 Beryllium hydroxide   
349 Be(OH)2 Beryllium hydroxide   
350 H2COO Dioxymethyl radical 2A'Cs
351 HCOOH Formic acid 1A'Cs
352 CH2BOH hydroxy(methylene)borane 1A'Cs
353 BH3CO Borane carbonyl 1A1C3v
354 CH3BO Borane, methyloxo- 1A1C3v
355 CH3NO nitrosomethane 1A'Cs
356 CuF2 Copper difluoride 2ΠgD∞h
357 CNF iso cyanogen fluoride 1ΣC∞v
358 FCO Carbonyl fluoride 2A'Cs
359 FCO+ Carbonyl fluoride cation 1ΣC∞v
360 ClCO carbonyl monochloride 2A'Cs
361 FSN Thiazyl fluoride 1A'Cs
362 CF2 Difluoromethylene 1A1D∞h
363 CFCl chlorofluoromethylene 1A'Cs
364 OClO- Chlorine dioxide anion 1A'Cs
365 HFCO+ formyl fluoride cation 2A'Cs
366 C4H2 Diacetylene 1ΣgD∞h
367 C4H4 Tetrahedrane   
368 C2N2 Cyanogen 1ΣgD∞h
369 C4H8 cyclobutane 1A1D2d
370 P(CH3)3 trimethylphosphine 1A1C3v
371 C3O Tricarbon monoxide 1ΣC∞v
372 ONNO NO dimer 1Agtrans C2H
373 NH2COOH Carbamic acid 1A'Cs
374 NH2CONH2 Urea 1A1C2v
375 C3H6O Oxetane 1A1C2v
376 C3H6O Oxetane 1A'Cs
377 BF3 Borane, trifluoro- 1A'D3h
378 NBr3 Nitrogen Tribromide 1A1C3v
379 BrONO2 Bromine nitrate 1A'Cs
380 TiF4 Titanium tetrafluoride 1A1Td
381 C3H3N3O3 cyanuric acid 1A1'D3h

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 He+ Helium atom cation he+  
14 HeH Helium hydride heh  
15 HeH+ Helium hydride cation heh+  
16 He2+ helium diatomic cation he2+  
17 Li- Lithium atom anion li-  
18 Li+ Lithium atom cation li+  
19 Na Sodium atom na  
20 Na- Sodium atom anion na-  
21 Na+ Sodium atom cation na+  
22 K Potassium atom k  
23 K- Potassium atom anion k-  
24 K+ Potassium atom cation k+  
25 Cu Copper atom cu  
26 Cu- Copper atom anion cu-  
27 Cu+ Copper atom cation cu+  
28 LiH Lithium Hydride lih  
29 LiH- lithium hydride anion lih-  
30 LiH+ lithium hydride cation lih+  
31 NaH sodium hydride nah  
32 NaH- sodium hydride anion nah-  
33 NaH+ sodium hydride cation nah+  
34 KH+ Potassium hydrogen cation kh+  
35 CuH Copper monohydride cuh  
36 Be Beryllium atom be  
37 Be- Beryllium atom anion be-  
38 Be+ Beryllium atom cation be+  
39 Mg Magnesium atom mg  
40 Mg- Magnesium atom anion mg-  
41 Mg+ Magnesium atom cation mg+  
42 Ca Calcium atom ca  
43 Ca- Calcium atom anion ca-  
44 Ca+ Calcium atom cation ca+  
45 Zn Zinc atom zn  
46 Zn- Zinc atom anion zn-  
47 Zn+ Zinc atom cation zn+  
48 BeH beryllium monohydride beh  
49 BeH- berylium monohydride anion beh-  
50 BeH+ beryllium monohydride cation beh+  
51 MgH- magnesium monohydride anion mgh-  
52 MgH+ magnesium monohydride cation mgh+  
53 CaH Calcium monohydride cah  
54 CaH+ Calcium monohydride cation cah+  
55 TiH Titanium monohydride tih  
56 ZnH Zinc monohydride znh  
57 ZnH+ Zinc, protonated znh+  
58 BeH2 beryllium dihydride beh2  
59 BeH2+ Beryllium dihydride cation beh2+  
60 CaH2 Calcium Hydride cah2  
61 ZnH2 Zinc hydride znh2  
62 B- Boron atom anion b-  
63 B+ Boron atom cation b+  
64 Al Aluminum atom al  
65 Al+ Aluminum atom cation al+  
66 Ga Gallium atom ga  
67 Ga- Gallium atom anion ga-  
68 Ga+ Gallium atom cation ga+  
69 BH- boron monohydride anion bh-  
70 BH+ boron monohydride cation bh+  
71 AlH aluminum monohydride alh  
72 AlH- aluminum monohydride anion alh-  
73 AlH+ aluminum monohydride cation alh+  
74 ScH+ Scandium monohydride cation sch+  
75 GaH Gallium monohydride gah  
76 BH2 boron dihydride bh2  
77 BH2- boron dihydride anion bh2-  
78 BH2+ Boron dihydride cation bh2+  
79 AlH2 aluminum dihydride alh2  
80 AlH2- aluminum dihydride anion alh2-  
81 AlH2+ aluminum dihydride cation alh2+  
82 BH3 boron trihydride bh3  
83 BH3- boron trihydride anion bh3-  
84 AlH3+ aluminum trihydride cation alh3+  
85 GaH3 Gallium trihydride gah3  
86 AlH4- Aluminum tetrahydride anion alh4-  
87 C- Carbon atom anion c-  
88 C+ Carbon atom cation c+  
89 Si+ Silicon atom cation si+  
90 Ti Titanium atom ti  
91 Ti- Titanium atom anion ti-  
92 Ti+ Titanium atom cation ti+  
93 Ge Germanium atom ge  
94 Ge- Germanium anion ge-  
95 Ge+ Germanium cation ge+  
96 Sn Tin atom sn  
97 Sn+ Tin cation sn+  
98 CH Methylidyne ch  
99 CH- methylidyne anion ch-  
100 CH+ Methylidyne cation ch+  
101 SiH- silicon monohydride anion sih-  
102 SiH2 silicon dihydride sih2  
103 SiH2- silicon dihydride anion sih2-  
104 SiH2+ silicon dihydride cation sih2+  
105 GeH2- germylene anion geh2-  
106 SiH3- Silyl anion sih3-  
107 GeH3 Germyl radical geh3  
108 GeH3+ germyl cation geh3+  
109 CD4 methane-d4 cd4  
110 CH2D2 methane-d2 ch2d2  
111 CH3D methane-d ch3d  
112 CH4+ Methane cation ch4+  
113 CHD3 methane-d3 chd3  
114 SiH4+ Silane cation sih4+  
115 SnH4 Stannane snh4  
116 N- Nitrogen atom anion n-  
117 P- Phosphorus atom anion p-  
118 P+ Phosphorus atom cation p+  
119 Sb Antimony atom sb  
120 NH Imidogen nh  
121 NH- Imidogen anion nh-  
122 NH+ imidogen cation nh+  
123 PH- phosphorus monohydride anion ph-  
124 PH+ phosphorus monohydride cation ph+  
125 AsH Arsenic monohydride ash  
126 AsH+ Arsenic monohydride cation ash+  
127 SbH Antimony monohydride sbh  
128 ND2 Amidogen-d2 nd2  
129 NH2- amino anion nh2-  
130 PH2 Phosphino radical ph2  
131 PH2- Phosphino anion ph2-  
132 PH2+ Phosphino cation ph2+  
133 AsH2 Arsenic dihydride ash2  
134 AsH2+ Arsenic dihydride cation ash2+  
135 ND3 Ammonia-d3 nd3  
136 AsH3 Arsine ash3  
137 AsH3+ Arsine cation ash3+  
138 SbH3 Stibine sbh3  
139 AsH4+ Arsonium ash4+  
140 NH4 Ammonium radical nh4  
141 O- Oxygen atom anion o-  
142 Cr Chromium atom cr  
143 Se Selenium atom se  
144 Se- Selenium atom anion se-  
145 Se+ Selenium atom cation se+  
146 Te Tellurium atom te  
147 Te+ Tellurium atom cation te+  
148 DO Hydroxyl-d od  
149 DS Mercapto-d ds  
150 CrH Chromium hydride crh  
151 HSe Selenium monohydride hse  
152 HSe- selenium monohydride anion hse-  
153 TeH Telluryl radical teh  
154 D2O Deuterium oxide d2o  
155 D2S Hydrogen sulfide-d2 d2s  
156 H2S- Hydrogen sulfide anion h2s-  
157 H2Se+ Hydrogen selenide cation h2se+  
158 H2Te Hydrogen Telluride h2te  
159 Mn Manganese atom mn  
160 Br Bromine atom br  
161 Br- Bromine atom anion br-  
162 Br+ Bromine atom cation br+  
163 I Iodine atom iodine  
164 I- Iodine atom anion iodine-  
165 I+ Iodine atom cation iodine+  
166 DF Hydrofluoric acid-d df  
167 HF- hydrogen fluoride anion hf-  
168 HF+ hydrogen fluoride cation hf+  
169 DCl Hydrochloric acid-d dcl  
170 HCl- hydrogen chloride anion hcl-  
171 HBr- hydrogen bromide anion hbr-  
172 HBr+ hydrogen bromide cation hbr+  
173 HI Hydrogen iodide hi  
174 HI+ Hydrogen iodide cation hi+  
175 H2F+ dihydrogen fluoride cation h2f+  
176 H2I+ Iodonium h2i+  
177 Ne- Neon atom anion ne-  
178 Ar- Argon atom anion ar-  
179 Ar+ Argon atom cation ar+  
180 Fe Iron atom fe  
181 Xe Xenon atom xe  
182 HeLi+ Helium Lithium cation heli+  
183 NeH neon hydrogen neh  
184 NeH+ neon hydrogen cation neh+  
185 XeH+ Xenon, protonated xeh+  
186 Co Cobalt atom cobalt  
187 Ni Nickel atom ni  
188 Li2 Lithium diatomic li2  
189 Li2- lithium diatomic anion li2-  
190 Li2+ lithium diatomic cation li2+  
191 NaLi lithium sodium lina  
192 NaLi- lithium sodium anion lina-  
193 NaLi+ lithium sodium cation lina+  
194 LiK Lithium Potassium lik  
195 Na2 Sodium diatomic na2  
196 Na2- sodium diatomic anion na2-  
197 NaK Sodium Potassium 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 Mg2 Magnesium diatomic mg2  
208 Mg2- magnesium diatomic anion mg2-  
209 Mg2+ magnesium diatomic cation mg2+  
210 Ca2 Calcium diatomic ca2  
211 LiB Lithium boride lib  
212 LiAl Lithium Aluminum lial  
213 B2 Boron diatomic b2  
214 B2- Boron diatomic anion b2-  
215 Al2 Aluminum diatomic al2  
216 Al2- aluminum diatomic anion al2-  
217 Al2+ aluminum diatomic cation al2+  
218 LiBH4 Lithium borohydride libh4  
219 Al2H6 dialane al2h6  
220 LiC Lithium Carbide lic  
221 BC boron monocarbide bc  
222 BC- boron monocarbide anion bc-  
223 BC+ boron monocarbide cation bc+  
224 C2- carbon diatomic anion c2-  
225 SiC silicon monocarbide sic  
226 SiC- silicon monocarbide anion sic-  
227 SiC+ silicon monocarbide cation sic+  
228 Si2 Silicon diatomic si2  
229 Si2- silcon diatomic anion si2-  
230 Si2+ silcon diatomic cation si2+  
231 GeC Germanium monocarbide gec  
232 Ge2 Germanium diatomic ge2  
233 C2H- Ethynyl anion c2h-  
234 C2H+ Ethynyl cation c2h+  
235 ZnCH2 Zinc methylene znch2  
236 CCH2 vinylidene vinylidene  
237 HCCH- acetylene anion c2h2-  
238 Si2H2 disilyne si2h2  
239 CuCH3 monomethyl copper cuch3  
240 ZnCH3 Zinc monomethyl znch3  
241 C2H3+ vinyl cation c2h3+  
242 CH3CH methylmethylene ch3ch  
243 CH2SiH2 silaethylene ch2sih2  
244 Si2H4 Disilene si2h4  
245 C2H5- Ethyl anion c2h5-  
246 C2H5+ Ethyl cation c2h5+  
247 C2H6+ ethane cation c2h6+  
248 CH3SiH3 methyl silane ch3sih3  
249 GeH3CH3 methyl germane geh3ch3  
250 C2H7+ Ethane, protonated c2h7+  
251 LiN Lithium Nitride lin  
252 LiN+ Lithium Nitride cation lin+  
253 BeN Beryllium mononitride ben  
254 BeN- Beryllium mononitride anion ben-  
255 MgN Magnesium Nitride mgn  
256 BN- boron nitride anion bn-  
257 AlN- aluminum mononitride anion aln-  
258 AlN+ aluminum mononitride cation aln+  
259 GaN Gallium mononitride gan  
260 BN+ boron nitride cation bn+  
261 AlN Aluminum nitride aln  
262 CN+ Cyano cation cn+  
263 CP Carbon monophosphide cp  
264 CP- carbon monophosphide anion cp-  
265 CP+ carbon monophosphide cation cp+  
266 SiN Silicon nitride sin  
267 SiN- silicon mononitride anion sin-  
268 SiN+ silicon mononitride cation sin+  
269 SiP- Silicon monophosphide anion sip-  
270 SiP+ Silicon monophosphide cation sip+  
271 TiN Titanium mononitride tin  
272 N2+ diatomic nitrogen cation n2+  
273 PN Phosphorus mononitride pn  
274 PN- phosphorus nitride anion pn-  
275 PN+ phosphorus nitride cation pn+  
276 P2 Phosphorus diatomic p2  
277 P2- phosphorus diatomic anion p2-  
278 P2+ phosphorus diatomic cation p2+  
279 AsN Arsenic mononitride asn  
280 AsP Arsenic monophosphide asp  
281 SbN Antimony nitride sbn  
282 As2 Arsenic diatomic as2  
283 HNB hydrogen nitrogen boron hnb  
284 HNC hydrogen isocyanide hnc  
285 HCN- Hydrogen cyanide anion hcn-  
286 HCP Phosphaethyne hcp  
287 HCP+ Phosphaethyne cation hcp+  
288 NNH Dinitrogen monohydride nnh  
289 HPO Hydrogen phosphorus oxide hpo  
290 HPO+ Hydrogen phosphorus oxide cation hpo+  
291 LiNH2 lithium amide linh2  
292 HBNH Boranimine hbnh  
293 CNH2 Aminomethylidyne radical cnh2  
294 CNH2+ N-protonated hydrogen isocyanide cnh2+  
295 H2CN Dihydrogen cyanide radical h2cn  
296 H2CN+ hydrocyanonium cation h2cn+  
297 HCNH methyleneazane hcnh  
298 HCNH+ N-protonated HCN hcnh+  
299 H2NN Isodiazene h2nn  
300 CH2NH Methanimine ch3n  
301 CHNH2 aminomethylene chnh2  
302 CHNH2+ Aminocarbene cation chnh2+  
303 CH2PH Phosphaethene ch3p  
304 BH2NH2 Boranamine bh2nh2  
305 N2H4 Hydrazine n2h4  
306 P2H4 Diphosphine p2h4  
307 CH3PH2 Methyl phosphine ch3ph2  
308 SiH3NH2 Silane, amino sih3nh2  
309 N2H5+ protonated hydrazine n2h5+  
310 BH3NH3 borane ammonia bh3nh3  
311 CH3NH3 methyl ammonium radical ch3nh3  
312 CH3NH3+ protonated methylamine ch3nh3+  
313 CH3PH3+ methyl phosphine, protonated ch3ph3+  
314 NH3NH3 Ammonia Dimer nh3nh3  
315 LiO- lithium oxide anion lio-  
316 LiO+ lithium oxide cation lio+  
317 NaO- sodium oxide anion nao-  
318 NaO+ sodium oxide cation nao+  
319 CuO Copper Monoxide cuo  
320 LiSe Lithium monoselenide lise  
321 BeO beryllium oxide beo  
322 BeO- Beryllium monoxide anion beo-  
323 BeO+ Beryllium monoxide cation beo+  
324 BeS beryllium sulfide bes  
325 MgO magnesium oxide mgo  
326 MgO- magnesium oxide anion mgo-  
327 MgO+ magnesium oxide cation mgo+  
328 CaO Calcium monoxide cao  
329 MgS magnesium sulfide mgs  
330 MgS- magnesium sulfide anion mgs-  
331 MgS+ magnesium sulfide cation mgs+  
332 ZnO zinc monoxide zno  
333 ZnS Zinc sulfide zns  
334 BeS- Beryllium monosulfide anion bes-  
335 BeS+ Beryllium monosulfide cation bes+  
336 BO- boron monoxide anion bo-  
337 AlO Aluminum monoxide alo  
338 AlO- Aluminum monoxide anion alo-  
339 AlO+ aluminum monoxide cation alo+  
340 BS boron sulfide bs  
341 BS- boron monosulfide anion bs-  
342 BS+ boron monosulfide cation bs+  
343 AlS Aluminum sulfide als  
344 AlS- aluminum monosulfide anion als-  
345 AlS+ aluminum monosulfide cation als+  
346 GaO Gallium monoxide gao  
347 GaS Gallium monosulfide gas  
348 BO+ boron monoxide cation bo+  
349 CS carbon monosulfide cs  
350 CS- carbon monosulfide anion cs-  
351 CS+ carbon monosulfide cation cs+  
352 SiO Silicon monoxide sio  
353 SiO- silicon monoxide anion sio-  
354 SiO+ silicon monoxide cation sio+  
355 SiS silicon monosulfide sis  
356 SiS- silicon monosulfide anion sis-  
357 SiS+ silicon monosulfide cation sis+  
358 CSe Carbon monoselenide cse  
359 CSe- Carbon monoselenide anion cse-  
360 CSe+ Carbon monoselenide cation cse+  
361 GeO Germanium monoxide geo  
362 GeSe Germanium monoselenide gese  
363 NS- nitrogen sulfide anion ns-  
364 NS+ nitrogen sulfide cation ns+  
365 PO- phosphorus monoxide anion po-  
366 PO+ phosphorus monoxide cation po+  
367 PS- phosphorus monosulfide anion ps-  
368 PS+ phosphorus monosulfide cation ps+  
369 AsO Arsenic monoxide aso  
370 O2-- dioxygen dianion o2--  
371 O2+ diatomic oxygen cation o2+  
372 SO Sulfur monoxide so  
373 SO- sulfur monoxide anion so-  
374 S2- sulfur diatomic anion s2-  
375 S2+ sulfur diatomic cation s2+  
376 SeO Selenium monoxide seo  
377 SeO- selenium monoxide anion seo-  
378 SeO+ selenium monoxide cation seo+  
379 SeS Selenium monosulfide ses  
380 SeS- selenium monosulfide anion ses-  
381 SeS+ selenium monosulfide cation ses+  
382 TeO Tellurium monoxide teo  
383 Se2 Selenium diatomic se2  
384 Se2- selenium diatomic anion se2-  
385 Se2+ selenium diatomic cation se2+  
386 Te2 Tellurium diatomic te2  
387 NaOH sodium hydroxide naoh  
388 KOH Potassium hydroxide koh  
389 MgOH magnesium hydroxide mgoh  
390 CaOH Calcium monohydroxide caoh  
391 HBS hydrogen boron sulfide hbs  
392 HCO Formyl radical hco  
393 HCO+ Formyl cation hco+  
394 HCS Thioformyl radical hcs  
395 HCS- Thioformyl anion hcs-  
396 HCS+ Thioformyl cation hcs+  
397 HNO Nitrosyl hydride hno  
398 HNO- Nitrosyl hydride anion hno-  
399 HNS Sulfur imide hns  
400 HNS- Sulfur imide anion hns-  
401 HO2- Hydroperoxy anion ho2-  
402 SOH Sulfur Hydroxide soh  
403 HS2 Thiosulfeno radical hs2  
404 HOCH hydroxycarbene hoch  
405 H2CS- thioformaldehyde anion h2cs-  
406 H2CS+ thioformaldehyde cation h2cs+  
407 H2CSe Selenoformaldehyde h2cse  
408 H2O2+ Hydrogen peroxide cation h2o2+  
409 H2OO water oxide h2oo  
410 HOSH hydrogen thioperoxide hosh  
411 H2Se2 hydrogen diselenide h2se2  
412 CH2OH+ hydroxymethyl cation ch2oh+  
413 CH3O Methoxy radical ch3o  
414 CH3O- methoxy anion ch3o-  
415 CH3S thiomethoxy ch3s  
416 H2CSH+ Thioformaldehyde, protonated h2csh+  
417 NH3O Ammonia Oxide nh3o  
418 H2POH Phosphinous acid h2poh  
419 H3PO Phosphine oxide h3po  
420 NH2SH Thiohydroxylamine nh2sh  
421 NH3S sulfidoazane nh3s  
422 H3O2+ hydrogen peroxide, protonated h3o2+  
423 CH3OH Methyl alcohol ch3oh  
424 CH3OH+ Methyl alcohol cation ch3oh+  
425 SiH3OH silanol sih3oh  
426 CH3SeH Methane selenol ch3seh  
427 NH2OH2+ protonated hydroxylamine nh2oh2+  
428 NH3OH+ N-protonated hydroxylamine nh3oh+  
429 CH3OH2+ Methanol, protonated ch3oh2+  
430 CH3SH2+ protonated methylsulfide ch3sh2+  
431 H2ONH3 Water Ammonia Dimer h2onh3  
432 H5O2+ Dihydroxonium ion h5o2+  
433 LiF lithium fluoride lif  
434 LiCl- lithium chloride anion licl-  
435 LiCl+ lithium chloride cation licl+  
436 NaF- sodium fluoride anion naf-  
437 NaF+ sodium fluoride cation naf+  
438 KF Potassium Fluoride kf  
439 NaCl- sodium chloride anion nacl-  
440 NaCl+ sodium chloride cation nacl+  
441 KCl Potassium Chloride kcl  
442 CuF Copper monofluoride cuf  
443 LiBr Lithium Bromide libr  
444 LiBr- lithium bromide anion libr-  
445 LiBr+ lithium bromide cation libr+  
446 CuCl Copper monochloride cucl  
447 NaBr Sodium Bromide nabr  
448 NaBr- sodium bromide anion nabr-  
449 NaBr+ sodium bromide cation nabr+  
450 KBr Potassium Bromide kbr  
451 LiI Lithium Iodide lii  
452 NaI Sodium Iodide nai  
453 KI Potassium Iodide ki  
454 LiF- lithium fluoride anion lif-  
455 LiF+ lithium fluoride cation 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 CaF Calcium monofluoride caf  
463 MgCl magnesium monochloride mgcl  
464 MgCl- magnesium monochloride anion mgcl-  
465 MgCl+ magnesium monochloride cation mgcl+  
466 CaCl calcium monochloride cacl  
467 TiCl Titanium Monochloride ticl  
468 ZnF- Zinc monofluoride anion znf-  
469 ZnF+ Zinc monofluoride cation znf+  
470 ZnCl Zinc monochloride zncl  
471 CaBr Calcium monobromide cabr  
472 BeCl- beryllium monochloride anion becl-  
473 BeCl+ beryllium monochloride cation becl+  
474 BF- Boron monofluoride anion bf-  
475 BF+ Boron monofluoride cation bf+  
476 AlF Aluminum monofluoride alf  
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 BBr Boron monobromide bbr  
486 GaF Gallium monofluoride gaf  
487 AlBr Aluminum monobromide albr  
488 GaCl Gallium monochloride gacl  
489 GaCl+ Gallium monochloride cation gacl+  
490 AlI Aluminum monoiodide ali  
491 GaBr Gallium monobromide gabr  
492 CF- carbon monofluoride anion cf-  
493 CF+ carbon monofluoride cation cf+  
494 CCl carbon monochloride ccl  
495 CCl- carbon monochloride anion ccl-  
496 CCl+ carbon monochloride cation ccl+  
497 SiF- silicon monofluoride anion sif-  
498 SiCl Clorosilylidyne sicl  
499 SiCl- silicon monochloride anion sicl-  
500 SiCl+ silicon monochloride cation sicl+  
501 GeF Germanium monofluoride gef  
502 GeF+ Germanium monofluoride cation gef+  
503 GeCl Germanium monochloride gecl  
504 GeCl+ Germanium monochloride cation gecl+  
505 SiBr Silicon monobromide sibr  
506 SiBr+ Silicon monobromide cation sibr+  
507 NF nitrogen fluoride nf  
508 NF- nitrogen monofluorine anion nf-  
509 NF+ nitrogen monofluoirde cation nf+  
510 NCl- nitrogen monochloride anion ncl-  
511 NCl+ nitrogen monochloride cation ncl+  
512 PF phosphorus monofluoride pf  
513 PF- phosphorus monofluoride anion pf-  
514 PF+ phosphorus monofluoride cation pf+  
515 PCl phosphorus chloride pcl  
516 PCl- phosphorus monochloride anion pcl-  
517 PCl+ phosphorus monochloride cation pcl+  
518 NBr nitrogen monobromide nbr  
519 PBr Phosphorus monobromide pbr  
520 SbF Antimony monofluoride sbf  
521 SbCl Antimony monochloride sbcl  
522 FO- flourine oxide anion fo-  
523 FO+ fluorine monoxide cation fo+  
524 ClO Monochlorine monoxide clo  
525 ClO- chlorine monoxide anion clo-  
526 ClO+ chlorine monoxide cation clo+  
527 SF- sulfur monofluoride anion sf-  
528 SF+ sulfur monofluoride cation sf+  
529 SCl sulfur monochloride scl  
530 SCl- sulfur monochloride anion scl-  
531 SCl+ sulfur monochloride cation scl+  
532 BrO Bromine monoxide bro  
533 BrO- Bromine monoxide anion bro-  
534 BrO+ Bromine monoxide cation bro+  
535 SBr Sulfur monobromide radical sbr  
536 SBr+ Sulfur monobromide cation sbr+  
537 IO Iodine monoxide io  
538 SeBr Selenium monobromide sebr  
539 BrCl Bromine monochloride brcl  
540 ClF- clorine monofluoride anion clf-  
541 ClF+ clorine monofluoride cation clf+  
542 Cl2- chlorine diatomic anion cl2-  
543 BrF Bromine monofluoride brf  
544 BrF- bromine fluoride anion brf-  
545 BrF+ bromine fluoride cation brf+  
546 BrCl- bromine chloride anion brcl-  
547 BrCl+ bromine chloride cation brcl+  
548 IF Iodine monofluoride if  
549 Br2 Bromine diatomic br2  
550 Br2- bromine diatomic anion br2-  
551 Br2+ bromine diatomic cation br2+  
552 ICl Iodine monochloride icl  
553 IBr Iodine monobromide ibr  
554 I2 Iodine diatomic i2  
555 I2+ Iodine diatomic cation i2+  
556 HCCl Chloromethylene hccl  
557 HSiF fluorosilylene hsif  
558 HSiCl Chlorosilylene hsicl  
559 HSiBr monobromosilylene hsibr  
560 CHBr bromomethylene chbr  
561 HOF Hypofluorous acid hfo  
562 DOCl Hypochlorous acid-d docl  
563 HOCl hypochlorous acid hocl  
564 HOBr Hypobromous acid hobr  
565 HOBr+ Hypobromous acid cation hobr+  
566 HOI Hypoiodous acid hoi  
567 F2H+ Fluorine, protonated f2h+  
568 FHF Hydrogen difluoride fhf  
569 FHF- Hydrogen difluoride anion fhf-  
570 Cl2H+ Chlorine, protonated cl2h+  
571 CH2Br bromomethyl radical ch2br  
572 CH2F+ fluoromethyl cation ch2f+  
573 CH2Cl+ chloromethyl cation ch2cl+  
574 CH2Cl chloromethyl radical ch2cl  
575 NH2F monofluoroamine nh2f  
576 NH2Cl chloramine nh2cl  
577 H2F2 Hydrogen fluoride dimer h2f2  
578 CH3F+ methyl fluoride cation ch3f+  
579 CD3F methylfluoride-d3 cd3f  
580 CD3Cl methyl chloride d3 cd3cl  
581 CH3Cl+ Methyl chloride cation ch3cl+  
582 SiH3F monofluorosilane sih3f  
583 SiH3Cl chlorosilane sih3cl  
584 CH3Br methyl bromide ch3br  
585 GeH3F monofluorogermane geh3f  
586 GeH3Cl monochlorogermane geh3cl  
587 SiH3Br bromosilane sih3br  
588 CH3I methyl iodide ch3i  
589 SiH3I Silyl Iodide sih3i  
590 NH3Cl+ protonated monochloroammonia nh3cl+  
591 CH3ClH+ methyl chloride, protonated ch3clh+  
592 Ne2 Neon diatomic ne2  
593 Li3 Lithium trimer li3  
594 C3+ carbon trimer cation c3+  
595 SiC2 Silicon dicarbide sic2  
596 C3H3 Propargyl radical propargyl  
597 C3H3- Propargyl anion c3h3-  
598 C3H3+ cyclopropenyl cation cpr+  
599 C3H3+ Propargyl cation c3h3+  
600 C3H4 cyclopropene cprop  
601 CH2CCH2 allene allene  
602 CH3CCH propyne propyne  
603 C3H5+ Allyl cation allyl+  
604 CH3CHCH 1-propenyl radical ch3chch  
605 Zn(CH3)2 dimethyl zinc dmz  
606 C3H7 n-Propyl radical npropyl  
607 C3H7+ cyclopropane, protonated c3h7+  
608 CH3CHCH3 Isopropyl radical isopropyl  
609 CH3CHCH3+ Isopropyl cation prop2yl+  
610 C3H8 Propane propane  
611 SiH2(CH3)2 dimethylsilane dms  
612 Si3H8 trisilane si3h8  
613 CuCN Copper cyanide cucn  
614 ZnCN Zinc monocyanide zncn  
615 ZnNC Zinc isocyanide znnc  
616 AlCN Aluminum monocyanide alcn  
617 AlNC Aluminum isocyanide alnc  
618 CN2 3H-Diazirin-3-ylidene cn2  
619 CNN Diazocarbene cnn  
620 NCN Cyanoimidogen ncn  
621 N3- azide anion n3-  
622 HCNN diazomethyl radical hcnn  
623 HN3 hydrogen azide hn3  
624 HN3+ Hydrazoic acid cation hn3+  
625 HNCNH diiminomethane hncnh  
626 CH2N2 diazirine ch2n2  
627 CH2NN diazomethane ch2nn  
628 HNNNH+ 1,2-Triazadienium n2h3+  
629 NH2NN+ hydrazoic acid, protonated nh2nn+  
630 CH3CN Acetonitrile ch3cn  
631 CH3CN- acetonitrile anion ch3cn-  
632 CH3CN+ Acetonitrile cation ch3cn+  
633 CH3NC methyl isocyanide ch3nc  
634 CHNCH2 2H-Azirine c157164  
635 CHNHCH 1H-Azirine chnhch  
636 H2CCNH Ethenimine ch2cnh  
637 H2CNCH methyleneaminomethylene ch2nch  
638 HCCNH2 Ethynamine hccnh2  
639 HCNCH2+ 2H-Azirine cation hcnch2+  
640 HNCNH2+ diiminomethane, protonated hncnh2+  
641 NCNH3+ Cyanamide, protonated ncnh3+  
642 NH2CNH+ cyanamide, cn protonated nh2cnh+  
643 NH3CN+ cyanamide, amine protonated nh3cn+  
644 CH3CHN methylmethaniminyl radical ch3chn  
645 NHCHNH2 aminomethanimine cn2h4  
646 C2H5N Aziridine c2h5n  
647 CH2CHNH2 aminoethene aminoethene  
648 CH2NCH3 N-methylmethanimine nmm  
649 CH3CHNH ethanimine ethanimine  
650 NH2BHNH2 diaminoborane nh2bhnh2  
651 C2H5NH+ Protonated Aziridine c2h5nh+  
652 C2H6N+ aziridine, protonated c2h6n+  
653 NH2CH2NH2 diaminomethane nh2ch2nh2  
654 CH3CH2NH2 Ethylamine etam  
655 CH3NHCH3 Dimethylamine ch3nhch3  
656 CH3PHCH3 dimethylphosphine ch3phch3  
657 NH2CH2NH3+ diaminoethane, protonated pdam  
658 (CH3)2NH2+ dimethylammonium cation dmam  
659 CH3CH2NH3+ ethylamine, protonated pea  
660 Li2O+ dilithium oxide cation li2o+  
661 Na2O disodium monoxide na2o  
662 Na2S Sodium sulfide na2s  
663 LiO2 Lithium dioxide lio2  
664 NaO2 Sodium superoxide nao2  
665 CNO- fulminate cno-  
666 NCO- cyanate nco-  
667 SCN thiocyanato radical scn  
668 SCN- thiocyanide anion scn-  
669 BO2 Boron dioxide bo2  
670 BO2- Boron dioxide anion bo2-  
671 BO2+ Boron dioxide cation bo2+  
672 N2O+ Nitrous oxide cation n2o+  
673 NNS Nitrogen sulfide nns  
674 PPO Phosphorus oxide phosphide ppo  
675 CO2- Carbon dioxide anion co2-  
676 CO2+ Carbon dioxide cation co2+  
677 OCS+ Carbonyl sulfide cation cos+  
678 SiO2 silicon dioxide sio2  
679 CS2 Carbon disulfide cs2  
680 CS2- Carbon disulfide anion cs2-  
681 CS2+ Carbon disulfide cation cs2+  
682 GeO2 Germanium dioxide geo2  
683 OCSe Carbonyl selenide ocse  
684 SCSe Carbon sulfide selenide scse  
685 GeS2 Germanium disulfide ges2  
686 CSe2 Carbon diselenide cse2  
687 SCTe Carbon sulfide Telluride scte  
688 NO2- Nitrogen dioxide anion no2-  
689 NSO sulfinyl amidogen NSO  
690 PO2 Phosphorus dioxide po2  
691 PO2- Phosphorus dioxide anion po2-  
692 PO2+ Phosphorus dioxide cation po2+  
693 SNO Nitrogen oxide sulfide sno  
694 AsO2 Aresenic dioxide aso2  
695 O3- Ozone anion o3-  
696 O3+ Ozone cation o3+  
697 SO2- Sulfur dioxide anion so2-  
698 SO2+ Sulfur dioxide cation so2+  
699 SSO Disulfur monoxide sso  
700 S3- Sulfur trimer anion s3-  
701 SeO2 Selenium dioxide seo2  
702 SeO2+ Selenium dioxide cation seo2+  
703 TeO2 Tellurium Dioxide teo2  
704 HCCO ketenyl radical ketenyl  
705 CS2H+ Carbon disulfide, protonated cs2h+  
706 HNCO Isocyanic acid hnco  
707 HOCN cyanic acid hocn  
708 HNCS Isothiocyanic acid hncs  
709 HSCN thiocyanic acid hscn  
710 HCO2- formate anion hco2-  
711 HNNO nitrosoazane hnno  
712 HCOO formate neutral radical hcoo  
713 HOCO Hydrocarboxyl radical hoco  
714 HOCO+ Hydrocarboxyl cation hoco+  
715 HNO2 Nitrous acid hno2  
716 HNO2+ nitrous acid cation hno2+  
717 SO2H+ protonated sulfur dioxide so2h+  
718 C2H2O Oxirene oxirene  
719 CH2CO Ketene ch2co  
720 CH2CO+ Ketene cation ch2co+  
721 HCCOH ethynol hccoh  
722 CH2CS Thioketene ch2cs  
723 Mg(OH)2 Magnesium dihydroxide h2mgo2  
724 NH2NO Nitrosamide nh2no  
725 CH2O2 Dioxirane diox  
726 H2COO+ dioxymethyl cation h2coo+  
727 H2O3 Hydrogen trioxide h2o3  
728 HSSSH trisulfane hsssh  
729 NaOCH3 Sodium methoxide naoch3  
730 CH2CHO Vinyloxy radical ch2cho  
731 CH2COH+ ketene, protonated ch2coh+  
732 CH3CO Acetyl radical ch3co  
733 CH3CO- Acetyl anion ch3co-  
734 CH3CO+ acetyl cation ch3co+  
735 CH2NOH formaldoxime ch2noh  
736 CHONH2 formamide formamide  
737 CNOH3 1,2-oxaziridine cnoh3  
738 HOCHNH hydroxymethylimine hochnh  
739 CHSNH2 thioformamide chsnh2  
740 NHCHSH Methanimidothioic acid nhchsh  
741 CH2OOH CH2OOH radical ch2ooh  
742 CH3OO methylperoxy radical ch3oo  
743 CH3OO- methylperoxy anion ch3oo-  
744 CH3OO+ methylperoxy cation ch3oo+  
745 C2H4O Ethylene oxide c2h4o  
746 C2H4O+ ethylene oxide cation c2h4o+  
747 CH2CHOH ethenol ch2choh  
748 CH3CHO Acetaldehyde ch3cho  
749 CH3CHO+ acetaldehyde cation ch3cho+  
750 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
751 C2H4S Thiirane thiirane  
752 CH2CHSH Ethenethiol ch2chsh  
753 CH3CHS Thioacetaldehyde ch3chs  
754 H2CONH2+ protonated formamide h2conh2+  
755 NH2CHOH+ Formamide, O-protonated nh2choh+  
756 NH3CHO+ Formamide, N-Protonated nh3cho+  
757 CH2(OH)2 methanediol ch2o2h2  
758 CH3OOH Methyl peroxide ch3ooh  
759 CH3SSH Hydrogen methyl disulfide ch3ssh  
760 HSCH2SH Methanedithiol ch4s2  
761 H2OH2CO water formaldehyde dimer h2oh2co  
762 C2H4OH+ ethylene oxide, protonated c2h4oh+  
763 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
764 CH3CH2O Ethoxy radical ethoxy  
765 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
766 CH3CHOH+ acetaldehyde, protonated ch3choh+  
767 CH3OCH2 methoxymethyl radical ch3och2  
768 NH2CH2OH aminomethanol nh2ch2oh  
769 CH3CH2OH Ethanol etoh  
770 CH3OCH3 Dimethyl ether meome  
771 CH3CH2SH ethanethiol etsh  
772 CH3SCH3 Dimethyl sulfide mesme  
773 CH3SCH3+ dimethyl sulfide cation mesme+  
774 CH3SeCH3 dimethylselenide dmse  
775 CH3OHH2O methanol water dimer ch3ohh2o  
776 H2OCH3OH water methanol dimer h2och3oh  
777 ZnF2 Zinc difluoride znf2  
778 FCN Cyanogen fluoride fcn  
779 ClCN chlorocyanogen clcn  
780 BrCN Cyanogen bromide brcn  
781 ICN Cyanogen iodide icn  
782 FBO Boron monofluoride monoxide fbo  
783 BeF2 Beryllium fluoride bef2  
784 MgF2 Magnesium fluoride mgf2  
785 BeCl2 Beryllium chloride becl2  
786 MgCl2 Magnesium dichloride mgcl2  
787 CaCl2 Calcium Chloride cacl2  
788 ZnCl2 Zinc dichloride zncl2  
789 BeBr2 Beryllium bromide bebr2  
790 CaBr2 Calcium dibromide cabr2  
791 CaF2 Calcium difluoride caf2  
792 BF2 Boron difluoride radical bf2  
793 FNO Nitrosyl fluoride fno  
794 ClNO Nitrosyl chloride clno  
795 FNS Thionitrosyl fluoride fns  
796 OPCl Phosphorus oxychloride opcl  
797 BrNO Nitrosyl bromide brno  
798 INO Nitrosyl iodide ino  
799 CF2- Difluoromethylene anion cf2-  
800 CF2+ Difluoromethylene cation cf2+  
801 SiF2 Silicon difluoride sif2  
802 SiF2+ Silicon difluoride cation sif2+  
803 CCl2 dichloromethylene ccl2  
804 CCl2- dichloromethylene anion ccl2-  
805 CCl2+ dichloromethylene cation ccl2+  
806 SiCl2 Dichlorosilylene sicl2  
807 GeF2 Germanium difluoride gef2  
808 GeCl2 Germanium dichloride gecl2  
809 CBr2 dibromomethylene cbr2  
810 FOO Dioxygen monofluoride radical foo  
811 FOO+ Fluorine dioxide cation foo+  
812 ClOO chloroperoxy radical cloo  
813 ClOO+ chloroperoxy cation cloo+  
814 OClO Chlorine dioxide oclo  
815 OClO+ Chlorine dioxide cation oclo+  
816 ClSO Sulfur chloride oxide clso  
817 ClS2 Sulfur chloride cls2  
818 BrOO Bromine dioxide broo  
819 OBrO Bromine dioxide radical obro  
820 NF2 Difluoroamino radical nf2  
821 NF2+ Difluoroamino cation nf2+  
822 PF2 Phosphorus difluoride pf2  
823 PF2+ Phosphorus difluoride cation pf2+  
824 FClO chlorosyl fluoride fclo  
825 F2O Difluorine monoxide f2o  
826 ClOF Chlorine hypofluorite clof  
827 SF2 sulfur difluoride sf2  
828 SF2- sulfur difluoride anion sf2-  
829 SF2+ sulfur difluoride cation sf2+  
830 Cl2O Dichlorine monoxide cl2o  
831 SCl2 Sulfur dichloride scl2  
832 SeF2 Selenium difluoride sef2  
833 BrOCl Bromine hypochlorite brocl  
834 SeCl2 Selenium Dichloride secl2  
835 SBr2 Sulfur dibromide sbr2  
836 SeBr2 Selenium dibromide sebr2  
837 BrOBr Bromine oxide brobr  
838 F3- trifluoride anion f3-  
839 Cl3- trichloride anion cl3-  
840 Br3- tribromide anion br3-  
841 I3- triiodide i3-  
842 SFCl Sulfur chloride fluoride sfcl  
843 HCCF Fluoroacetylene hccf  
844 HCCF+ fluoroacetylene cation hccf+  
845 HCCCl Chloroacetylene hcccl  
846 HCCBr bromoacetylene hccbr  
847 HFCO formyl fluoride hfco  
848 COHCl Formyl chloride cohcl  
849 COHBr Formyl bromide cohbr  
850 BHF2 Difluoroborane bhf2  
851 BHCl2 Borane, dichloro- bhcl2  
852 CHCl2 dichloromethyl radical chcl2  
853 CHF2 difluoromethyl radical chf2  
854 CHF2+ difluoromethyl cation chf2+  
855 CHFCl Chlorofluoromethyl radical chfcl  
856 CHFCl+ Chlorofluoromethyl cation chfcl+  
857 CHCl2+ dichloromethyl cation chcl2+  
858 CHBr2 dibromomethyl radical chbr2  
859 HOClO Chlorous acid hoclo  
860 NHF2 difluoramine nhf2  
861 NHCl2 dichloroamine nhcl2  
862 CH2F2 Methane, difluoro- ch2f2  
863 CH2FCl fluorochloromethane ch2fcl  
864 SiH2F2 difluorosilane sih2f2  
865 CH2Cl2 Methylene chloride ch2cl2  
866 CH2BrF Methane, bromofluoro- ch2fbr  
867 CH2BrCl Methane, bromochloro- ch2clbr  
868 CH2FI fluoroiodomethane ch2fi  
869 CH2Br2 dibromomethane ch2br2  
870 CH2ClI chloroiodomethane ch2cli  
871 CH2BrI bromoiodomethane ch2bri  
872 CH2I2 Diiodomethane ch2i2  
873 SiH2Cl2 dichlorosilane sih2cl2  
874 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
875 CH2CHF Ethene, fluoro- ch2chf  
876 CH2CHF+ fluoroethene cation ch2chf+  
877 C2H3Cl Ethene, chloro- ch2chcl  
878 C2H3Br vinyl bromide c2h3br  
879 C2H3I Vinyl iodide c2h3i  
880 CH2FOH fluoromethanol ch2foh  
881 CH3OCl methyl hypochlorite ch3ocl  
882 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
883 CHClCH3 1-chloroethyl radical chclch3  
884 C2H5F fluoroethane c2h5f  
885 CH3CH2Cl Ethyl chloride c2h5cl  
886 CH3SiFH2 fluoromethylsilane ch3sifh2  
887 C2H5Br Ethyl bromide etbr  
888 C2H5I Ethyl iodide c2h5i  
889 KrF2 Krypton difluoride krf2  
890 XeF2 Xenon difluoride xef2  
891 B4H10 Tetraborane(10) b4h10  
892 C4 Carbon tetramer c4  
893 C4+ Carbon tetramer cation c4+  
894 C4H2+ diacetlyene cation c4h2+  
895 C2H3CCH 1-Buten-3-yne c2h3cch  
896 C4H4 cyclobutadiene cbd  
897 H2CCCCH2 Butatriene h2cccch2  
898 C4H6 1-Methylcyclopropene c3100047  
899 C4H6 Cyclobutene c822355  
900 C4H6 Methylenecyclopropane c6142730  
901 CH2CCHCH3 1,2-Butadiene butad12  
902 CH2CHCHCH2 1,3-Butadiene c106990  
903 CH3CCCH3 2-Butyne c503173  
904 CHCCH2CH3 1-Butyne c107006  
905 CH3CHCHCH2 methylallyl radical c4h7  
906 C4H8 methylcyclopropane mcp  
907 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
908 CH2CHCH2CH3 1-Butene bute1  
909 CH3CHCHCH3 2-Butene, (E)- bute2e  
910 CH3CHCHCH3 2-Butene, (Z)- bute2z  
911 B(CH3)3 trimethylborane bme3  
912 Al(CH3)3 trimethyl aluminum tma  
913 C(CH3)3 Tert-butyl radical tbutyl  
914 CH2CH(CH3)2 Isobutyl radical isobutyl  
915 CH3CHCH2CH3 2-Butyl radical butyl2  
916 CH3CH(CH3)CH3 Isobutane isobutane  
917 CH3CH2CH2CH3 Butane butane  
918 SiH(CH3)3 trimethylsilane trimsi  
919 Li3N trilithium nitride li3n  
920 C2N2+ Cyanogen cation c2n2+  
921 P4 Phosphorus tetramer p4  
922 As4 Arsenic tetramer as4  
923 HCCCN Cyanoacetylene hcccn  
924 HCCCN+ Cyanoacetylene cation hcccn+  
925 H2CNCN cyanamide, methylene ch2ncn  
926 HNCCNH Ethenediimine hnccnh  
927 C3H3N acrylonitrile ch2chcn  
928 C3H3N+ acrylonitrile cation ch2chcn+  
929 CH3N3 methyl azide ch3n3  
930 NH2CCNH2 Diaminoacetylene daa  
931 NH2CH2CN Aminoacetonitrile aan  
932 CH3NHN2+ methyl azide, protonated ch3nhn2+  
933 C2H5CN ethyl cyanide c2h5cn  
934 CH5N3 Guanidine guanidine  
935 C4H6 Bicyclo[1.1.0]butane c157335  
936 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
937 H2NCHCHNH2 diaminoethylene dae  
938 CH6N3+ guanidinium ch6n3+  
939 C3H7N Cyclopropylamine cpram  
940 CH7N3 triaminomethane tam  
941 C3H7N Azetidine azet  
942 C2H8N2 Ethylenediamine ethdiam  
943 CH3NHNHCH3 dimethyl hydrazine dmh  
944 CH3CH(NH2)CH3 2-Propanamine pram2  
945 N(CH3)3 Trimethylamine trimeam  
946 NH2CH2CH2CH3 1-Propanamine pram1  
947 N(SiH3)3 trisilylamine tsa  
948 As(CH3)3 trimethyl arsine tmas  
949 (CH3)3NH+ protonated trimethyl amine ptma  
950 C3H7NH3+ n-propylamine, protonated c3h7nh2  
951 Li2O2 dilithium dioxide li2o2  
952 Na2O2 disodium dioxide na2o2  
953 K2O2 dipotassium dioxide k2o2  
954 B2O2 Diboron dioxide b2o2  
955 S2N2 Disulfur dinitride s2n2  
956 CO3 Carbon trioxide co3  
957 CO3-- carbonate co3--  
958 CS3-- Carbonotrithioate cs3--  
959 NO3 Nitrogen trioxide no3  
960 NO3- nitrate anion no3-  
961 NO3+ nitrogen trioxide cation no3+  
962 SO3 Sulfur trioxide so3  
963 SO3- Sulfur trioxide anion so3-  
964 SO3-- Sulfate dianion so3--  
965 SO3+ Sulfur trioxide cation so3+  
966 SeO3 selenium trioxide seo3  
967 S4 Sulfur tetramer s4  
968 TeO3 Tellurium trioxide teo3  
969 HCO3- bicarbonate anion hco3-  
970 HNO3 Nitric acid hno3  
971 HSO3 Hydroxysulfonyl radical hso3  
972 NH2NO2 nitramide nh2no2  
973 C2H2CO cyclopropenone c2h2co  
974 C3H2O Propadienal c3h2o  
975 HCCCHO 2-propynal hcccho  
976 C2H2O2 Ethanedial c2h2o2  
977 C2H2O2+ Ethanedial cation c2h2o2+  
978 H2CO3 Carbonic acid h2co3  
979 H2CS3 thiocarbonic acid h2cs3  
980 H2NO3+ Nitric Acid, Protonated h2no3+  
981 H2SO3 Sulfurous acid h2so3  
982 C2H3NO Nitrosoethylene c2h3no  
983 CH3NCO methylisocyante ch3nco  
984 HOCH2CN cyanomethanol hoch2cn  
985 CH3COO- acetate anion ch3coo-  
986 CH3NO2 Methane, nitro- ch3no2  
987 CH3ONO Methyl nitrite ch3ono  
988 H3BO3 Boric acid h3bo3  
989 H3AlO3 Aluminum hydroxide h3alo3  
990 H3CO3+ carbonic acid, protonated h3co3+  
991 C3H4O 2-Propyn-1-ol c107197  
992 C3H4O allenol c9000071  
993 C3H4O Cyclopropanone cpone  
994 C3H4O Methylketene c6004440  
995 CH2CHCHO Acrolein c3h4o  
996 NH2CONH2+ Urea cation urea+  
997 NH2CSNH2 Thiourea thiourea  
998 C2H4O2 1,3-dioxetane c2h4o2  
999 CH3COOH Acetic acid ch3cooh  
1000 CH3OCHO methyl formate ch3ocho  
1001 CHOCH2OH hydroxy acetaldehyde haa  
1002 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1003 NH3COOH+ protonated Carbamic acid nh3cooh+  
1004 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1005 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1006 HCOOHH2O Formic acid water dimer hcoohh2o  
1007 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1008 CH3COCH2 Acetonyl radical ch3coch2  
1009 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1010 CH3C(OH)=NH Ethaninidic acid eia  
1011 CH3CHNOH Acetaldoxime acetaldoxime  
1012 CH3CONH2 Acetamide acetamide  
1013 HCONHCH3 N-methylformamide nmfa  
1014 CH3CSNH2 Ethanethioamide ch3csnh2  
1015 CH5N2O+ urea, N-protonated ch4n2o+  
1016 H2NCOHNH2+ urea, protonated ureah+  
1017 C2H5OO ethylperoxy radical c2h5oo  
1018 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1019 C3H5OH Cyclopropanol cproh  
1020 C3H6O 2-Propen-1-ol c107186  
1021 C3H6O Acetone enol enol  
1022 C3H6O Propylene oxide prox  
1023 CH3CH2CHO Propanal propanal  
1024 CH3COCH3 Acetone acetone  
1025 CH3COCH3- acetone anion ch3coch3-  
1026 C3H6S Thietane thietane  
1027 C3H6S Thiirane, methyl- methiirane  
1028 CH3CSCH3 Thioacetone ch3csch3  
1029 C2H6O2 1,2-Ethanediol ethdiol  
1030 CH3OOCH3 dimethylperoxide dmp  
1031 CH3SOCH3 Dimethyl sulfoxide dmso  
1032 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1033 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1034 CH3COHCH3+ acetone, protonated acetoneh+  
1035 HOCH2CH2NH2 monoethanolamine mea  
1036 C3H7OH 1-Propanol proh  
1037 CH3CHOHCH3 Isopropyl alcohol isoproh  
1038 CH3OC2H5 Ethane, methoxy- etome  
1039 C3H7SH 1-Propanethiol prsh  
1040 CH3CHSHCH3 2-Propanethiol isoprsh  
1041 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1042 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1043 Li2F2 Lithium fluoride dimer li2f2  
1044 Na2F2 Sodium Fluoride Dimer na2f2  
1045 Na2Cl2 Disodium dichloride na2cl2  
1046 C2F2 difluoroacetylene c2f2  
1047 C2Cl2 dichloroacetylene c2cl2  
1048 C2Cl2+ dichloroacetylene cation c2cl2+  
1049 FNO2 Nitryl fluoride fno2  
1050 FONO Nitrosyl hypofluorite fono  
1051 ClNO2 Nitryl chloride clno2  
1052 ClONO chlorine nitrite clono  
1053 BrONO Bromine nitrite brono  
1054 N2F2 (Z)-Difluorodiazene n2f2_z  
1055 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1056 CF2O Carbonic difluoride f2co  
1057 CF2O+ Carbonic difluoride cation f2co+  
1058 COFCl Carbonic chloride fluoride cofcl  
1059 CCl2O Phosgene cl2co  
1060 Cl2CS Thiophosgene cl2cs  
1061 COBr2 Carbonic dibromide cobr2  
1062 BF3- Borane, trifluoro- anion bf3-  
1063 BF3+ boron trifluoride cation bf3+  
1064 AlF3 Aluminum trifluoride alf3  
1065 BClF2 Chlorodifluoroborane bclf2  
1066 AlF2Cl Aluminum chloride difluoride alclf2  
1067 ScF3 Scandium trifluoride ScF3  
1068 AlFCl2 Aluminum dichloride fluoride alcl2f  
1069 BCl3 Borane, trichloro- bcl3  
1070 BCl3+ Boron Trichloride cation bcl3+  
1071 GaF3 Gallium trifluoride gaf3  
1072 AlCl3 Aluminum trichloride alcl3  
1073 GaCl3 Gallium trichloride gacl3  
1074 BBr3 Boron tribromide bbr3  
1075 AlBr3 Aluminum Bromide albr3  
1076 ClO3 Chlorine trioxide clo3  
1077 ClO3- chlorate anion clo3-  
1078 BrO3- Bromate anion bro3-  
1079 CF3 Trifluoromethyl radical cf3  
1080 CF3- Trifluoromethyl anion cf3-  
1081 CF3+ Trifluoromethyl cation cf3+  
1082 CF2Cl difluorochloromethyl radical cf2cl  
1083 SiF3 Silicon trifluoride radical sif3  
1084 SiF3+ Silicon trifluoride cation sif3+  
1085 CFCl2 dichlorofluoromethyl radical cfcl2  
1086 CCl3 Trichloromethyl radical ccl3  
1087 CCl3- Trichloromethyl anion ccl3-  
1088 CCl3+ Trichloromethyl cation ccl3+  
1089 SiCl3 trichlorosilyl radical sicl3  
1090 SiCl3+ trichlorosilyl cation sicl3+  
1091 CBr3 tribromomethyl radical cbr3  
1092 FOOF Perfluoroperoxide foof  
1093 ClO2F Chloryl fluoride clo2f  
1094 F2SO Thionyl Fluoride f2so  
1095 ClOOCl Dichlorine dioxide cloocl  
1096 FSSF Difluorodisulfane fssf  
1097 S2F2 Thio-thionyl fluoride s2f2  
1098 SOCl2 thionyl chloride socl2  
1099 SSCl2 Thiothionyl chloride sscl2  
1100 SeOCl2 selenium oxychloride seocl2  
1101 NF3 Nitrogen trifluoride nf3  
1102 NF3- Nitrogen trifluoride anion nf3-  
1103 NF3+ Nitrogen trifluoride cation nf3+  
1104 PF3 Phosphorus trifluoride pf3  
1105 NCl3 nitrogen trichloride ncl3  
1106 AsF3 Arsenic trifluoride asf3  
1107 PCl3 Phosphorus trichloride pcl3  
1108 SbF3 Antimony Trifluoride sbf3  
1109 AsCl3 Arsenous trichloride ascl3  
1110 SbCl3 Antimony Trichloride sbcl3  
1111 PBr3 Phosphorus tribromide pbr3  
1112 AsBr3 Arsenic tribromide asbr3  
1113 NI3 Nitrogen triiodide ni3  
1114 PI3 Phosphorus triiodide pi3  
1115 ClSSCl Disulfur dichloride s2cl2  
1116 SF3 Sulfur trifluoride sf3  
1117 ClF3 Chlorine trifluoride clf3  
1118 BrF3 Bromine trifluoride brf3  
1119 IF3 iodone trifluoride if3  
1120 HClO3 Chloric Acid hclo3  
1121 CHF3 Methane, trifluoro- chf3  
1122 CHF2Cl difluorochloromethane chf2cl  
1123 SiHF3 trifluorosilane sihf3  
1124 CHFCl2 fluorodichloromethane chfcl2  
1125 CDCl3 trichloromethane-d cdcl3  
1126 CHCl3 Chloroform chcl3  
1127 CHBrF2 Methane, bromodifluoro- chbrf2  
1128 SiHCl3 Trichlorosilane sihcl3  
1129 CHFClBr fluorochlorobromomethane chfclbr  
1130 CHBrCl2 Methane, bromodichloro- chbrcl2  
1131 CHF2I difluoroiodomethane chf2i  
1132 CHBr2F dibromofluoromethane chbr2f  
1133 CHFClI fluorochloroiodomethane chfcli  
1134 CHCl2I dichloroiodomethane chcl2i  
1135 CHClBr2 Methane, dibromochloro- chclbr2  
1136 CHBr3 bromoform chbr3  
1137 CHI3 Iodoform chi3  
1138 NF3H+ protonated nitrogen trifluoride nf3h+  
1139 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1140 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1141 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1142 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1143 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1144 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1145 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1146 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1147 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1148 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1149 C2H2Br2 1,1-dibromoethene c2h2br2  
1150 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1151 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1152 CH2FCHO Fluoroacetaldehyde ch2fcho  
1153 CH3COF Acetyl fluoride ch3cof  
1154 CH2ClCHO chloroacetaldehyde ch2clcho  
1155 CH3COCl Acetyl Chloride ch3cocl  
1156 C2H4F2 1,2-difluoroethane c2h4f2  
1157 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1158 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1159 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1160 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1161 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1162 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1163 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1164 CH2CFCH3 2-fluoropropene 2fpro  
1165 CH2CHCH2F Allyl Fluoride allylf  
1166 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1167 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1168 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1169 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1170 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1171 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1172 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1173 CH2FCH2CH3 1-Fluoropropane prf1  
1174 CH3CHFCH3 2-Fluoropropane prf2  
1175 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1176 CH3CHClCH3 Propane, 2-chloro- prcl2  
1177 CH3CH2CH2Br n-propyl bromide prbr  
1178 CH3CHBrCH3 i-propyl bromide iprbr  
1179 C3H9O+ trimethyl oxonium cation c3h9o+  
1180 B5H9 pentaborane9 b5h9  
1181 C5H4 pentatetraene ptrene  
1182 C5H5 cyclopentadienyl radical c5h5  
1183 C5H5- cylopentadienyl anion c5h5-  
1184 C5H6 1,3-Cyclopentadiene c542927  
1185 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1186 C5H6 3-Penten-1-yne, (E)- c2004695  
1187 C5H6 3-Penten-1-yne, (Z)- c1574409  
1188 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1189 C5H6 Cyclopropylacetylene c6746947  
1190 C5H6 Propellane propellane  
1191 C5H7 1,3-pentadienyl radical pdyl  
1192 C5H7 cyclopentenyl radical cpyl  
1193 C5H8 1,2-Butadiene, 3-methyl- c598254  
1194 C5H8 1,2-Pentadiene c591957  
1195 C5H8 1,3-Butadiene, 2-methyl- c78795  
1196 C5H8 1,3-Pentadiene, (E)- c2004708  
1197 C5H8 1,3-Pentadiene, (Z)- c1574410  
1198 C5H8 1,4-Pentadiene c591935  
1199 C5H8 1-pentyne a1pentyne  
1200 C5H8 2,3-Pentadiene c591968  
1201 C5H8 Bicyclo[1.1.1]pentane bcp  
1202 C5H8 Cyclobutane, methylene- c1120565  
1203 C5H8 Cyclopentene c142290  
1204 C5H8 Ethenylcyclopropane c693867  
1205 CH3CCCH2CH3 2-Pentyne 2pentyne  
1206 C5H10 1-Butene, 2-methyl- c563462  
1207 C5H10 2-Butene, 2-methyl- c513359  
1208 C5H10 2-Pentene, (E)- c646048  
1209 C5H10 2-Pentene, (Z)- c627203  
1210 C5H10 Cyclopentane c287923  
1211 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1212 CH2CHCH2CH2CH3 1-pentene pentene  
1213 C5H11 2-Methylbut-2-yl radical c4348350  
1214 C5H12 Butane, 2-methyl- buta2  
1215 C5H12 Pentane pentane  
1216 C5H12 Propane, 2,2-dimethyl- neopentane  
1217 Si(CH3)4 tetramethylsilane tms  
1218 N2O3 Dinitrogen trioxide n2o3  
1219 C3H2N2 Malononitrile c3h2n2  
1220 CH2N4 1H-Tetrazole 1htz  
1221 C3H3N2 imidazolyl radical im  
1222 C3H3N2- imidizolyl anion im-  
1223 C2H3N3 1H-1,2,4-Triazole c288880  
1224 C4H4N pyrrolide radical c4h4n  
1225 C4H4N- pyrrolide anion c4h4n-  
1226 C3H4N2 1H-Imidazole 1himidaz  
1227 C3H4N2 1H-Pyrazole 1hpyraz  
1228 C3H4N2 2H-Imidazole imid2h  
1229 C3H4N2 4H-Imidazole imid4h  
1230 C4H5N (E)-2-Butenenitrile c627269  
1231 C4H5N (Z)-2-Butenenitrile c1190767  
1232 C4H5N 2H-pyrrole pyrrole2  
1233 C4H5N 3H-pyrrole pyrrole3  
1234 C4H5N Cyclopropanecarbonitrile c5500210  
1235 C4H5N Pyrrole pyrrole  
1236 CH2CHCH2CN Allylcyanide ch2chch2cn  
1237 C4H6N+ pyrrole, alpha-protonated appyr  
1238 C4H6N+ pyrrole, beta-protonated bppyr  
1239 C4H6N+ pyrrole, protonated ppyr  
1240 C3H6N2 3-Aminopropionitrile c151188  
1241 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1242 CH3CH2CH2CN Butanenitrile c109740  
1243 C5H8 Bicyclo[2.1.0]pentane c185944  
1244 C5H8 Spiropentane c157404  
1245 C4H9N Cyclobutylamine cbam  
1246 C4H9N Pyrrolidine pyrrolidine  
1247 C3H10N2 1,2-Diaminopropane diampr12  
1248 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1249 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1250 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1251 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1252 NH(C2H5)2 diethylamine dea  
1253 NC4H12+ tetramethyl ammonium cation nc4h12+  
1254 C3O2 Carbon suboxide c3o2  
1255 C3O2+ Carbon suboxide cation c3o2+  
1256 B2O3 diboron trioxide b2o3  
1257 MgCO3 Magnesium Carbonate mgco3  
1258 BeCO3 Beryllium Carbonate beco3  
1259 CaCO3 Calcium Carbonate caco3  
1260 ONONO Nitrosyl nitrite onono  
1261 PO4--- phosphate po4---  
1262 SO4-- sulfate so4--  
1263 HOONO2 peroxy nitric acid hoono2  
1264 HSO4- bisulfate anion hso4-  
1265 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1266 C3H2O2 Propiolic acid c3h2o2  
1267 CHOCOOH oxo acetic acid oaa  
1268 CHOOCHO diformyl ether choocho  
1269 H2SO4 Sulfuric acid h2so4  
1270 H2SeO4 Selenic acid h2seo4  
1271 C3H3NO Isoxazole isox  
1272 C3H3NO Oxazole oxazole  
1273 C3H3NS Thiazole thiazole  
1274 CH3C(O)OO acetyl peroxy radical ch3coo2  
1275 CH3NO3 Methyl nitrate ch3no3  
1276 H3PO4 Phosphoric Acid h3po4  
1277 C4H4O Furan furan  
1278 C4H4O+ Furan cation furan+  
1279 CH3COCCH 3-butyn-2-one c1423605  
1280 C4H4S Thiophene furans  
1281 C4H4Se selenophene c4h4se  
1282 C3H4O2 β–Propiolactone beta  
1283 C3H4O2 2-Propenoic acid propenoic2  
1284 C3H4O2 Methyl glyoxal megly  
1285 C3H4O2 propanedial propanedial  
1286 C3H4O2 propenalol propenalol  
1287 HOCHCCHOH allenediol aldiol  
1288 C2H4O3 1,2,3-trioxolane c2h4o3  
1289 C2H4O3 trioxolane124 triox  
1290 HOCH2COOH Hydroxyacetic acid hac  
1291 CH2CHCONH2 Acrylamide c79061  
1292 CH3OCH2CN Methoxyacetonitrile c1738369  
1293 CH5N3S Hydrazinecarbothioamide c79196  
1294 H2NCH2COOH Glycine glycine  
1295 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1296 C4H6O cis-2-butenal butenal2c  
1297 C4H6O Cyclobutanone cbutone  
1298 C4H6O Furan, 2,3-dihydro- furan23h  
1299 C4H6O Furan, 2,5-dihydro- furan25h  
1300 CH2CHOCHCH2 Vinyl ether vinylether  
1301 CHOCHCHCH3 2-Butenal butenal2  
1302 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1303 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1304 CH2CHSCHCH2 Divinyl sulfide divis  
1305 C2H6N2O Urea, methyl- c598505  
1306 C3H6O2 1,3-Dioxolane dioxolane  
1307 CH3CH2COOH Propanoic Acid propanoic  
1308 CH3COOCH3 methyl acetate aame  
1309 HCOOC2H5 Ethyl formate faee  
1310 C2H6O2S Dimethyl sulfone c67710  
1311 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1312 C3H7NO dimethylformamide dmf  
1313 C3H7NO Propanamide propanam  
1314 C2H3OC2H5 Ethene, ethoxy- c109922  
1315 C4H8O Cyclobutanol c2919235  
1316 C4H8O Furan, tetrahydro- thf  
1317 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1318 CH3COCH2CH3 2-Butanone buta2one  
1319 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1320 CHOCH2CH2CH3 Butanal butanal  
1321 C4H8S Thiophene, tetrahydro- tht  
1322 C3H8O2 1,3-Propanediol c504632  
1323 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1324 C3H8O2 Methane, dimethoxy- c109875  
1325 C3H8O2 Propylene glycol c57556  
1326 C3H8S2 1,3-Propanedithiol c109808  
1327 C4H10O 1-Butanol butanol1  
1328 C4H10O 1-Propanol, 2-methyl- c78831  
1329 C4H10O 2-Butanol, (.+/-.)- butanol2  
1330 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1331 C4H10O Ethoxy ethane etoet  
1332 C4H10O Methyl propyl ether meopr  
1333 C4H10O Propane, 2-methoxy- c598538  
1334 C4H10O+ 1-Butanol cation butanol1+  
1335 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1336 C2H5SC2H5 Diethyl sulfide etset  
1337 C4H9SH 1-Butanethiol bush  
1338 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1339 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1340 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1341 FNO3 Fluorine nitrate fno3  
1342 ClONO2 Chlorine nitrate clono2  
1343 TiCl4 Titanium tetrachloride ticl4  
1344 ClO4- perchlorate anion clo4-  
1345 BF4- tetrafluoroboron anion bf4-  
1346 ClFO3 Perchloryl fluoride clfo3  
1347 SO2F2 Sulfuryl fluoride so2f2  
1348 SO2Cl2 Sulfuryl chloride so2cl2  
1349 F3NO Nitrogen trifluoride oxide f3no  
1350 F3PO Phosphoryl fluoride pf3o  
1351 Cl3PO Phosphoryl chloride pcl3o  
1352 CF4 Carbon tetrafluoride cf4  
1353 CF3Cl Methane, chlorotrifluoro- cf3cl  
1354 SiF4 Silicon tetrafluoride sif4  
1355 CF2Cl2 difluorodichloromethane cf2cl2  
1356 CFCl3 Trichloromonofluoromethane cfcl3  
1357 CF3Br Bromotrifluoromethane cf3br  
1358 GeF4 Germanium tetrafluoride gef4  
1359 CCl4 Carbon tetrachloride ccl4  
1360 CCl4+ Carbon tetrachloride cation ccl4+  
1361 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1362 SiCl4 Silane, tetrachloro- sicl4  
1363 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1364 CF3I trifluoroiodomethane cf3i  
1365 CBrCl3 Methane, bromotrichloro- cbrcl3  
1366 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1367 GeCl4 Germanium Tetrachloride gecl4  
1368 CBr2ClF dibromochlorofluoromethane cbr2clf  
1369 CBr2Cl2 dibromodichloromethane cbr2cl2  
1370 CCl3I trichloroiodomethane ccl3i  
1371 CFBr3 fluorotribromomethane cfbr3  
1372 CFClBrI fluorochlorobromoiodomethane cfclbri  
1373 CBr3Cl tribromochloromethane cbr3cl  
1374 CF2I2 difluorodiiodomethane cf2i2  
1375 CBr4 Carbon tetrabromide cbr4  
1376 CCl2I2 dichlorodiiodomethane ccl2i2  
1377 SiBr4 Silicon tetrabromide sibr4  
1378 CBr3I tribromoiododmethane cbr3i  
1379 GeBr4 Germanium tetrabromide gebr4  
1380 CI4 tetraiodomethane ci4  
1381 SiI4 silicon tetraiodide sii4  
1382 ClOF3 Chlorine trifluoride oxide clof3  
1383 SF4 Sulfur tetrafluoride sf4  
1384 SeF4 Selenium tetrafluoride sef4  
1385 SCl4 Sulfur tetrachloride scl4  
1386 C2HF3 Trifluoroethylene c2hf3  
1387 C2HF3+ Trifluoroethylene cation c2hf3+  
1388 CHClCCl2 Trichloroethylene chclccl2  
1389 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1390 HClO4 perchloric acid hclo4  
1391 HSO3F Fluorosulfonic acid hso3f  
1392 CF3OH trifluoromethanol cf3oh  
1393 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1394 CHClCCHCl 1,3-dichloroallene chclcchcl  
1395 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1396 CHCl2CHO dichloroacetaldehyde chcl2cho  
1397 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1398 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1399 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1400 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1401 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1402 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1403 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1404 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1405 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1406 NH3BCl3 Amminetrichloroboron nh3bcl3  
1407 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1408 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1409 C3H5ClO Oxirane, (chloromethyl)- c106898  
1410 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1411 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1412 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1413 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1414 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1415 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1416 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1417 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1418 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1419 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1420 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1421 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1422 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1423 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1424 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1425 C4H9F 1-fluorobutane butaf1  
1426 CH3CHFCH2CH3 2-fluorobutane butaf2  
1427 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1428 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1429 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1430 XeF4 Xenon tetrafluoride xef4  
1431 C2H2N2O Furazan furazan  
1432 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1433 NH3BF3 Amminetrifluoroboron nh3bf3  
1434 C6H2 hexatriyne c6h2  
1435 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1436 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1437 C6H4 Benzyne benzyne  
1438 C6H5 phenyl phenyl  
1439 C6H5- phenyl anion phenyl-  
1440 C6H6 Prismane prismane  
1441 C6H6 1,2,4,5-Hexatetraene ht1245  
1442 C6H6 2,4-Hexadiyne hexadiyne  
1443 C6H6 3,4-Dimethylenecyclobutene cb34m  
1444 C6H6 Benzene benzene  
1445 C6H6 Benzvalene bv  
1446 C6H6 Dewar Benzene dewar  
1447 C6H6 Hexa-1,5-diene-3-yne hdy153  
1448 C6H6 Trimethylenecycopropane tmcp  
1449 C6H6+ Benzene cation c6h6+  
1450 C6H7+ benzene, protonated c6h7+  
1451 C6H8 (E)-hexa-1,3,5-triene c821078  
1452 C6H8 (E)-hexa-2,3,4-triene c59660650  
1453 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1454 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1455 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1456 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1457 C6H8 3-Methylenecyclopentene c930267  
1458 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1459 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1460 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1461 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1462 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1463 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1464 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1465 C6H10 1,5-Hexadiene c592427  
1466 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1467 C6H10 1-Hexyne hexyne1  
1468 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1469 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1470 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1471 C6H10 2-Hexyne c764352  
1472 C6H10 3-Hexyne hexyne3  
1473 C6H10 cyclohexene cyclohexene  
1474 C6H10 Cyclopentene, 1-methyl- c693890  
1475 C6H10 Cyclopentene, 3-methyl- c1120623  
1476 C6H10 Cyclopentene, 4-methyl- c1759815  
1477 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1478 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1479 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1480 C6H12 (E)-2-Hexene e2hexene  
1481 C6H12 (E)-3-methylpent-2-ene c616126  
1482 C6H12 (E)-hex-3-ene e3hexene  
1483 C6H12 (Z)-3-methylpent-2-ene c922623  
1484 C6H12 (Z)-hex-2-ene z2hexene  
1485 C6H12 (Z)-hex-3-ene z3hexene  
1486 C6H12 2,3-dimethylbut-1-ene c563780  
1487 C6H12 2,3-dimethyl-but-2-ene tmeet  
1488 C6H12 3-methylenepentane c760214  
1489 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1490 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1491 C6H12 Cyclohexane cyclohexane  
1492 C6H12 Cyclopentane, methyl- c96377  
1493 C6H12 Ethylcyclobutane c4806615  
1494 C6H12 hex-1-ene hexene1  
1495 C6H14 Butane, 2,2-dimethyl- buta22  
1496 C6H14 Butane, 2,3-dimethyl- buta23  
1497 C6H14 Hexane hexane  
1498 C6H14 Pentane, 2-methyl- penta2  
1499 C6H14 Pentane, 3-methyl- penta3  
1500 C4N2 2-Butynedinitrile c4n2  
1501 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1502 C4H2N2 Fumaronitrile c4h2n2  
1503 C2H2N4 sym-tetrazine ttz  
1504 C3H3N3 1,3,5-Triazine triazine135  
1505 CH3N5 5-Aminotetrazole c4418615  
1506 C4H4N2 1,3-Diazine diazine13  
1507 C4H4N2 Pyrazine pyrazine  
1508 C4H4N2 Pyridazine pyridazine  
1509 C4H4N2 Succinonitrile c110612  
1510 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1511 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1512 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1513 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1514 C5H5N E-2,4-pentadienenitrile bdcn  
1515 C5H5N Pyridine pyridine  
1516 B3N3H6 borazine borazine  
1517 C6H6 Fulvene fulvene  
1518 C5H6N+ Pyridinium c5h6n  
1519 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1520 C5H7N (E)-2-Pentenenitrile c26294984  
1521 C5H7N (E)-3-Pentenenitrile c16529661  
1522 C5H7N (Z)-2-Pentenenitrile c25899507  
1523 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1524 C5H7N Cyclobutanecarbonitrile c4426113  
1525 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1526 C5H9N Butanenitrile, 2-methyl- c18936179  
1527 C5H9N Pentanenitrile c110598  
1528 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1529 C6H10 Bicyclo[3.1.0]hexane c285585  
1530 C5H11N Cyclopentanamine cypentam  
1531 C5H11N Piperidine piper  
1532 C4H12N2 1,2-Butanediamine c4426486  
1533 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1534 Li2CO3 Lithium Carbonate li2co3  
1535 Na2CO3 Sodium Carbonate na2co3  
1536 C2O4-- oxalate anion c2o4  
1537 MgSO4 Magnesium Sulfate mgso4  
1538 N2O4 Dinitrogen tetroxide n2o4  
1539 C3H2O3 vinylene carbonate vica  
1540 C2H2O4 Oxalic Acid oxalic  
1541 C2H3NO3 Oxamic acid oxamic  
1542 C4H4O2 2(5H)-Furanone furanone  
1543 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1544 C2H4N2O2 Oxalamide oxalamide  
1545 C2H4N2S2 Ethanedithioamide c79403  
1546 C2H4CO3 Ethylene carbonate etco3  
1547 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1548 C3H4S3 1,3-Dithiolane-2-thione c822388  
1549 C2H4O4 Formic acid dimer fadimer  
1550 C4H5NO 3-Methylisoxazole isox3m  
1551 C4H5NO Isoxazole, 5-methyl- c5765446  
1552 C4H5NS 4-Methylthiazole c693958  
1553 C2H5NO3 Nitric acid, ethyl ester c625581  
1554 C5H6O 2H-Pyran pyran2  
1555 C5H6O 2-methylfuran furan2m  
1556 C5H6O 3-Methylfuran furan3m  
1557 C5H6O Pentadienal pdal  
1558 C5H6S Thiophene, 2-methyl- c554143  
1559 C5H6S Thiophene, 3-methyl- c616444  
1560 C4H6O2 γ–Butyrolactone c96480  
1561 C4H6O2 2,3-Butanedione c431038  
1562 C4H6O2 2-Propenoic acid, methyl ester c96333  
1563 C4H6O2 Crotonic Acid crot  
1564 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1565 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1566 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1567 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1568 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1569 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1570 C4H6OS Vinyl sulfoxide c1115157  
1571 CH6N4S Carbonothioic dihydrazide thiacarb  
1572 C2H6N2O2 (E)-Azodioxymethane c37765154  
1573 C2H6N2O2 Dimethylnitroamine c4164287  
1574 C3H6O3 1,3,5-Trioxane trioxane  
1575 C3H6S3 1,3,5-Trithiane c3h6s3  
1576 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1577 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1578 C4H7NO 2-Pyrrolidinone c616455  
1579 C4H7NO Ethoxyacetonitrile etoaccn  
1580 C4H7NO Methacrylamide c79390  
1581 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1582 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1583 C3H7ONO Propyl nitrite prono  
1584 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1585 CH3CH(NH2)COOH Alanine alanine  
1586 CH3NHCH2COOH Sarcosine sarcosine  
1587 NH2CH2CH2COOH β–alanine betaalanine  
1588 NH2COOC2H5 Urethane urethane  
1589 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1590 C5H8O Cyclopentanone c120923  
1591 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1592 C5H8O Methyl cyclopropyl ketone c765435  
1593 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1594 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1595 NH2CONHC2H5 Urea, ethyl- c625525  
1596 C4H8O2 1,3-Dioxane dioxan13  
1597 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1598 C4H8O2 1,4-Dioxane dioxan14  
1599 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1600 C4H8O2 Ethyl acetate c141786  
1601 C4H8OS s-Ethyl thioacetate c625605  
1602 C3H8O3 1,2,3-Propanetriol glycerin  
1603 C3H8O2S (Methylsulfonyl)ethane c594434  
1604 C4H9NO Butanamide c541355  
1605 C4H9NO Propanamide, 2-methyl- c563837  
1606 C5H10O 2-Butanone, 3-methyl- c563804  
1607 C5H10O 2H-Pyran, tetrahydro- c142687  
1608 C5H10O 2-methylbutyraldehyde 2meba  
1609 C5H10O 2-Pentanone mpk  
1610 C5H10O 3-Pentanone dek  
1611 C5H10O Cyclopentanol c96413  
1612 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1613 C5H10O Pentanal pal  
1614 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1615 C5H10S 3-Ethylthio-1-propene c5296628  
1616 C5H10S Cyclopentanethiol c1679078  
1617 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1618 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1619 C4H10O2 1,1-Dimethoxyethane c534156  
1620 C4H10O2 1,3-Butanediol budiol13  
1621 C4H10O2 1,4-Butanediol budiol14  
1622 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1623 C4H10OS Diethyl sulfoxide c70291  
1624 C4H10S2 1,4-Butanedithiol budisl14  
1625 C4H11NO Diethylhydroxylamine c3710847  
1626 C5H12O 1-Butanol, 2-methyl- c137326  
1627 C5H12O 1-Butanol, 3-methyl- c123513  
1628 C5H12O 1-Pentanol pentanol1  
1629 C5H12O 2-Butanol, 3-methyl- c598754  
1630 C5H12O 2-Pentanol peol2  
1631 C5H12O 3-Pentanol pentan3ol  
1632 C5H12O Butane, 1-methoxy- meobu  
1633 C5H12O Propane, 1-ethoxy- proet  
1634 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1635 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1636 C5H12S 1-Butanethiol, 3-methyl- c541311  
1637 C5H12S 1-Pentanethiol c110667  
1638 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1639 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1640 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1641 C5H12S Butane, 1-(methylthio)- c628295  
1642 C5H12S Ethyl propyl sulfide c4110503  
1643 C5H12S Propane, 2-(ethylthio)- c5145993  
1644 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1645 C4F2 difluorobutadiyne c4f2  
1646 ClCOClCO Oxalyl chloride oxcl  
1647 CF3CN Acetonitrile, trifluoro- cf3cn  
1648 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1649 B2F4 Diboron tetrafluoride b2f4  
1650 B2Cl4 Diboron tetrachloride b2cl4  
1651 C2F4 Tetrafluoroethylene c2f4  
1652 C2F4+ Tetrafluoroethylene cation c2f4+  
1653 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1654 CF2CCl2 difluorodichloroethylene cf2ccl2  
1655 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1656 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1657 C2FCl3 fluorotrichloroethene c2fcl3  
1658 C2Cl4 Tetrachloroethylene c2cl4  
1659 C2Br4 tetrabromoethene c2br4  
1660 CF3OF Trifluoromethylhypofluorite cf3of  
1661 SiF5- silicon pentafluoride anion sif5-  
1662 SOF4 Sulfur tetrafluoride oxide sof4  
1663 PF5 Phosphorus pentafluoride pf5  
1664 AsF5 Arsenic pentafluoride asf5  
1665 PCl5 Phosphorus pentachloride pcl5  
1666 SF5 Sulfur pentafluoride sf5  
1667 SF5+ pentafluoro sulfur cation sf5+  
1668 SbCl5 Antimony pentachloride sbcl5  
1669 BrF5 bromine pentafluoride brf5  
1670 ClF5 chlorinepentafluoride clf5  
1671 IF5 pentafluoroiodine if5  
1672 CF3CHO trifluoroacetaldehyde cf3cho  
1673 CCl3CHO trichloroacetaldehyde ccl3cho  
1674 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1675 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1676 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1677 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1678 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1679 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1680 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1681 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1682 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1683 CF3COOH trifluoroacetic acid cf3cooh  
1684 C4H3ClO Furan, 2-chloro fur2cl  
1685 C4H3ClO Furan,3-chloro fur3cl  
1686 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1687 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1688 C4H8Cl2 1,4-Dichlorobutane c110565  
1689 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1690 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1691 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1692 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1693 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1694 C5H11Cl Pentane, 1-chloro- pencl1  
1695 C4H8O2 Butanoic acid bua  
1696 C6H5CH2 benzyl radical benzyl  
1697 C7H7 cycloheptatrienyl radical c7h7  
1698 C7H7+ cycloheptatrienyl cation c7h7+  
1699 C6H5CH3 toluene toluene  
1700 C7H8 cycloheptatriene cht  
1701 C7H8 Norbornadiene norbor  
1702 C7H8 Quadricyclane qucy  
1703 C7H12 Norbornane nor  
1704 C7H14 cycloheptane c7h14  
1705 C7H16 2-methylhexane 2mhex  
1706 C7H16 3-methylhexane hex3m  
1707 C7H16 heptane heptane  
1708 CH(CN)3 tricyanomethane mecn3  
1709 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1710 C6H7N 2-Methylpyridine mp  
1711 C6H5NH2 aniline aniline  
1712 C6H13N 2-Methylpiperidine pip2m  
1713 C6H13N cyclohexanamine cham  
1714 C6H15N triethylamine tea  
1715 N2O5 Dinitrogen pentoxide n2o5  
1716 C4H2O3 Maleic Anhydride malan  
1717 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1718 C5H4O2 furfural furfural  
1719 C6H5O phenoxy radical phenoxy  
1720 C5H5NO 2(1H)-Pyridinone c72762006  
1721 C5H5NO 2(3H)-Pyridinone c9000048  
1722 C5H5NO 2(5H)-Pyridinone c9000037  
1723 C5H5NO 2-Pyridinol c109104  
1724 C5H5NO 3(2H)-Pyridinone c9000004  
1725 C5H5NO 3(4H)-Pyridinone c9000026  
1726 C5H5NO 3(6H)-Pyridinone c9000015  
1727 C5H5NO 3-Pyridinol c109002  
1728 C5H5NO 4(1H)-Pryidinone c9000060  
1729 C5H5NO 4(3H)-Pryidinone c9000059  
1730 C5H5NO 4-Pyridinol c626642  
1731 C6H5OH phenol phenol  
1732 C6H6O 2,4-Cyclohexadienone c24599573  
1733 C6H6O 2,5-Cyclohexadienone c5664335  
1734 C6H5SH Benzenethiol phsh  
1735 HO2CCHNH2CH2OH Serine serine  
1736 C5H8O2 Acetylacetone acac  
1737 C4H8O2S Sulfolane sulfolane  
1738 C7H10 Norbornene norbornene  
1739 CH(C2H3)3 trivinyl methane tvm  
1740 C6H10O cyclohexanone chexo  
1741 C6H12O hexanal c6h12o  
1742 C6H12O Oxepane oxepane  
1743 C3H7OC3H7 di-n-propyl ether propr  
1744 F2CCCF2 tetrafluoroallene pfa  
1745 CF3COO- trifluoro acetate anion cf3coo-  
1746 CF3COF trifluoroacetyl fluoride cf3cof  
1747 CF3COCl trifluoroacetyl chloride cf3cocl  
1748 PF6 Hexafluorophosphate neutral pf6  
1749 PF6- Hexafluorophosphate ion pf6-  
1750 SF6 Sulfur Hexafluoride sf6  
1751 SeF6 Selenium hexafluoride sef6  
1752 SF5Cl sulfur chloropentafluoride sf5cl  
1753 CF3CHF2 pentafluoroethane cf3chf2  
1754 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1755 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1756 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1757 CCl3CHCl2 pentachloroethane ccl3chcl2  
1758 C6H5F Fluorobenzene bzf  
1759 C6H5Cl chlorobenzene bzcl  
1760 C6H5Br bromobenzene bzbr  
1761 C8H6 Calicene calicene  
1762 C6H5CCH phenylacetylene phac  
1763 C8H6 benzocyclobutadiene bcbd  
1764 C8H6 Pentalene pentalene  
1765 C6H5CHCH2 Styrene styrene  
1766 C8H8 cubane cubane  
1767 C8H8 cyclooctatetraene cot  
1768 C6H5CH2CH3 Ethylbenzene etbz  
1769 CH3C6H4CH3 meta-xylene mxylene  
1770 CH3C6H4CH3 paraxylene pxylene  
1771 C8H14 Bicyclo[2.2.2]octane bico222  
1772 C8H16 cyclooctane cyclooct  
1773 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1774 C8H18 Octane c8h18  
1775 C6H5CN phenyl cyanide phcn  
1776 C6H12N2 Triethylenediamine ted  
1777 C4O4-- squarate dianion c4o4--  
1778 S4N4 Tetrasulfur tetranitride s4n4  
1779 S8 Octasulfur s8  
1780 C6H4O2 parabenzoquinone pbq  
1781 C4H4N2O2 Uracil uracil  
1782 C6H5CHO benzaldehyde benzal  
1783 C6H5OCH3 Anisole anisole  
1784 C5H9NO2 Proline proline  
1785 C6H12O2 Methyl pivalate c598981  
1786 C6H12O2 Hexanoic acid hexa  
1787 C4F4 tetrafluorcyclobutadiene c4f4  
1788 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1789 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1790 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1791 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1792 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1793 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1794 C2F6 hexafluoroethane c2f6  
1795 C2Cl6 hexachloroethane c2cl6  
1796 IF7 Iodine heptafluoride if7  
1797 C6H4F2 metadifluorobenzene mdfb  
1798 C6H4F2 orthodifluorobenzene odfb  
1799 C6H4F2 1,4-difluorobenzene pdfb  
1800 C6H4Cl2 1,2-dichlorobenzene dcb12  
1801 C6H4Cl2 1,3-dichlorobenzene dcb13  
1802 C6H4Cl2 1,4-dichlorobenzene dcb14  
1803 C6H5NO nitrosobenzene bzno  
1804 C9H8 Indene indene  
1805 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1806 C9H12 n-propyl benzene prbz  
1807 C9H20 Nonane nonane  
1808 C(CN)4 tetracyanomethane c5n4  
1809 C5H4N4 purine purine  
1810 C8H7N Indole indole  
1811 C6H5NO2 Nitrobenzene c6h5no2  
1812 C6H5COOH benzoic acid benzo  
1813 CH3COC6H5 acetophenone acph  
1814 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1815 C3F6 hexafluoropropene c3f6  
1816 C6H3F3 Benzene trifluoride 123 bzf3a  
1817 C8H18O 1-Octanol octanol  
1818 C10H8 Azulene azu  
1819 C10H8 naphthalene naph  
1820 C10H10 bullvalene bullv  
1821 C10H16 adamantane adamantane  
1822 C6N4 Tetracyanoethylene tcne  
1823 C6N4- tetracyanoethylene anion tcne-  
1824 C10H22 Decane decane  
1825 C4F6 perfluorobutadiene c4f6  
1826 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1827 C3F8 perfluoropropane c3f8  
1828 Fe(CO)5 Iron pentacarbonyl ipc  
1829 Fe(C5H5)2 ferrocene fecp2  
1830 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1831 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1832 C12H8 Acenaphthylene acenaph  
1833 C12H8 biphenylene biph  
1834 C12H10 biphenyl biphenyl  
1835 C12H10 Heptalene heptalene  
1836 C6H12O6 Inositol inositol  
1837 C6F6 hexafluorobenzene c6f6  
1838 S2F10 disulphur decafluoride s2f10  
1839 C13H10 Fluorene fluorene  
1840 C14H10 Anthracene anth  
1841 C14H10 Phenanthrene phenanthrene  
1842 C14H14 Bibenzyl bibenzyl  
1843 C12H10N2 azobenzene azobenzene  
1844 C6H5COC6H5 benzophenone benzophenone  
1845 C16H10 Pyrene pyrene  
1846 C18H12 Tetracene tetracene  
1847 C19H16 Triphenylmethane tpm  
1848 C24H12 Coronene coronene  
1849 C60 Buckminsterfullerene c60