National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
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XIIGeometries
XIII Vibrations
XIVReaction data
XVEntropy data
XVIBibliographic data
XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers
XXIOddities

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

List of which calculations are completed at PBEPBE /aug-cc-pVQZ

Jump to calculations not yet done
count Species Name State Conformation
1 H- Hydrogen atom anion 2SKh
2 H2 Hydrogen diatomic 1ΣgD∞h
3 H2- hydrogen diatomic anion 2Σu+D∞h
4 He Helium atom 1SKh
5 HeH+ Helium hydride cation 1ΣC∞v
6 Li Lithium atom 2SKh
7 Li+ Lithium atom cation 1SKh
8 Na Sodium atom 2SKh
9 Na+ Sodium atom cation 1SKh
10 LiH Lithium Hydride 1ΣC∞v
11 LiH- lithium hydride anion 2ΣC∞v
12 LiH+ lithium hydride cation 2ΣC∞v
13 NaH- sodium hydride anion 2ΣC∞v
14 NaH+ sodium hydride cation 2ΣC∞v
15 Be Beryllium atom 1SKh
16 Be+ Beryllium atom cation 2SKh
17 Mg Magnesium atom 1SKh
18 Mg+ Magnesium atom cation 2SKh
19 BeH- berylium monohydride anion 1ΣC∞v
20 BeH+ beryllium monohydride cation 1ΣC∞v
21 MgH- magnesium monohydride anion 1ΣC∞v
22 MgH+ magnesium monohydride cation 1ΣC∞v
23 B Boron atom 2PKh
24 B Boron atom 4PKh
25 B+ Boron atom cation 1SKh
26 Al Aluminum atom 2PKh
27 Al+ Aluminum atom cation 1SKh
28 BH- boron monohydride anion 2ΠC∞v
29 BH+ boron monohydride cation 2ΣC∞v
30 AlH- aluminum monohydride anion 2ΠC∞v
31 AlH+ aluminum monohydride cation 2ΣC∞v
32 AlH2- aluminum dihydride anion 1A1C2v
33 AlH2+ aluminum dihydride cation 1ΣgD∞h
34 BH3- boron trihydride anion 2A2"D3h
35 BH3+ boron trihydride cation 2B2C2v
36 AlH3- aluminum trihydride anion 2A2"D3h
37 C Carbon atom 3P0Kh
38 C Carbon atom 3P1Kh
39 C+ Carbon atom cation 2PKh
40 Si Silicon atom 3PKh
41 Si Silicon atom 1SKh
42 Si+ Silicon atom cation 2PKh
43 CH Methylidyne 4Σ-C∞v
44 CH- methylidyne anion 3ΣC∞v
45 CH+ Methylidyne cation 1ΣC∞v
46 SiH- silicon monohydride anion 3ΣC∞v
47 SiH+ silicon monohydride cation 1ΣC∞v
48 CH2 Methylene 1A1C2v
49 CH2- methylene anion 2B1C2v
50 CH2+ methylene cation 2A1C2v
51 SiH2- silicon dihydride anion 2B1C2v
52 SiH2+ silicon dihydride cation 2A1C2v
53 CH3- methyl anion 1A1C3v
54 CH3+ methyl cation 1A1'D3h
55 SiH3- Silyl anion 1A1C3v
56 SiH3+ Silyl cation 1A1'D3h
57 CH4 Methane 1A1Td
58 CH4+ Methane cation 2B1C2v
59 CH4+ Methane cation 2T2Td
60 CH4+ Methane cation 2B2D2d
61 N Nitrogen atom 4SKh
62 N Nitrogen atom 2DKh
63 N+ Nitrogen atom cation 3PKh
64 P Phosphorus atom 4SKh
65 NH Imidogen 1Σ+C∞v
66 NH- Imidogen anion 2ΠC∞v
67 NH+ imidogen cation 2ΠC∞v
68 PH phosphorus monohydride 1ΔC∞v
69 PH- phosphorus monohydride anion 2ΠC∞v
70 PH+ phosphorus monohydride cation 2ΠC∞v
71 NH2- amino anion 1A1C2v
72 PH2- Phosphino anion 1A1C2v
73 PH2+ Phosphino cation 1A1C2v
74 NH3 Ammonia 1A1C3v
75 PH3+ Phosphine cation 2A1C3v
76 PH4+ phosphonium cation   
77 O Oxygen atom 3SKh
78 O+ Oxygen atom cation 4SKh
79 S Sulfur atom 3PKh
80 OH Hydroxyl radical 2ΠC∞v
81 OH- hydroxide anion 1ΣC∞v
82 OH+ hydoxyl cation 3ΣC∞v
83 OH+ hydoxyl cation 1ΣC∞v
84 HS- mercapto anion 1ΣC∞v
85 HS+ sulfur monohydride cation 3ΣC∞v
86 HSe- selenium monohydride anion 1ΣC∞v
87 HSe+ selenium monohydride cation 3ΣC∞v
88 HSe+ selenium monohydride cation 1ΣC∞v
89 H2O Water 1A1C2v
90 H2O- water anion 2A1C2v
91 H2O+ water cation 2B1C2v
92 H2S+ Hydrogen sulfide cation 2B1C2v
93 H2Se+ Hydrogen selenide cation 2B1C2v
94 H3O+ hydronium cation 1A1C3v
95 F Fluorine atom 2PKh
96 F+ Fluorine atom cation 3SKh
97 Cl Chlorine atom 2PKh
98 Cl+ Chlorine atom cation 3PKh
99 HF Hydrogen fluoride 1ΣC∞v
100 HF+ hydrogen fluoride cation 2ΠC∞v
101 HCl Hydrogen chloride 1ΣC∞v
102 HCl+ hydrogen chloride cation 2ΠC∞v
103 HBr- hydrogen bromide anion 2ΣC∞v
104 HBr+ hydrogen bromide cation 2ΠC∞v
105 H2Cl+ dihydrogen monochloride cation 1A1C2v
106 Ne Neon atom 1SKh
107 Ne+ Neon atom cation 2PKh
108 Ar Argon atom 1SKh
109 NeH+ neon hydrogen cation 1ΣC∞v
110 ArH+ Argon hydride cation 1ΣC∞v
111 Li2- lithium diatomic anion 2ΣuD∞h
112 Li2+ lithium diatomic cation 2ΣgD∞h
113 NaLi- lithium sodium anion 2ΣC∞v
114 NaLi+ lithium sodium cation 2ΣC∞v
115 Na2 Sodium diatomic 1ΣgD∞h
116 Na2- sodium diatomic anion 2ΣuD∞h
117 Na2+ sodium diatomic cation 2ΣgD∞h
118 Be2- Beryllium diatomic anion 2ΠuD∞h
119 Be2+ Beryllium diatomic cation 2ΣuD∞h
120 Mg2- magnesium diatomic anion 2ΠUD∞h
121 Mg2+ magnesium diatomic cation 2ΣuD∞h
122 B2 Boron diatomic 1ΣgD∞h
123 B2 Boron diatomic 5ΣuD∞h
124 B2- Boron diatomic anion 4ΣgD∞h
125 B2+ Boron diatomic cation 2ΠD∞h
126 Al2 Aluminum diatomic 1ΣgD∞h
127 BC boron monocarbide 2ΠC∞v
128 BC- boron monocarbide anion 3ΠuC∞v
129 BC- boron monocarbide anion 1Σg+C∞v
130 BC+ boron monocarbide cation 3ΣC∞v
131 BC+ boron monocarbide cation 1ΣC∞v
132 C2 Carbon diatomic 3ΠuD∞h
133 C2- carbon diatomic anion 2ΣgD∞h
134 C2+ carbon diatomic cation 2ΠD∞h
135 SiC silicon monocarbide 3ΣC∞v
136 SiC silicon monocarbide 1ΣC∞v
137 SiC- silicon monocarbide anion 2ΣgC∞v
138 SiC+ silicon monocarbide cation 2ΠC∞v
139 Si2 Silicon diatomic 1ΣgD∞h
140 Si2- silcon diatomic anion 2ΣgD∞h
141 Si2+ silcon diatomic cation 2ΠD∞h
142 C2H- Ethynyl anion 1ΣC∞v
143 C2H+ Ethynyl cation 3ΠC∞v
144 C2H+ Ethynyl cation 1ΣC∞v
145 C2H2 Acetylene 1ΣgD∞h
146 C2H3+ vinyl cation 1A1C2V bridging H
147 C2H4 Ethylene 1AgD2h
148 C2H4- Ethylene anion 2B2gD2h
149 C2H4+ Ethylene cation 2B3uD2h
150 CH3CH methylmethylene 3A"Cs
151 C2H6 Ethane 1A1gD3d
152 LiN Lithium Nitride 1ΣC∞v
153 BeN- Beryllium mononitride anion 1ΣC∞v
154 BN- boron nitride anion 2ΣC∞v
155 AlN- aluminum mononitride anion 2ΣC∞v
156 AlN+ aluminum mononitride cation 2ΠC∞v
157 BN boron nitride 1ΣC∞v
158 BN+ boron nitride cation 2ΠC∞v
159 AlN Aluminum nitride 1ΣC∞v
160 CN- cyanide anion 1ΣC∞v
161 CN+ Cyano cation 1ΣC∞v
162 CP- carbon monophosphide anion 1ΣC∞v
163 CP+ carbon monophosphide cation 1ΣC∞v
164 SiN- silicon mononitride anion 1ΣC∞v
165 SiN+ silicon mononitride cation 3ΠC∞v
166 SiP Silicon monophosphide 2ΠC∞v
167 SiP- Silicon monophosphide anion 1ΣC∞v
168 SiP+ Silicon monophosphide cation 3ΣC∞v
169 SiP+ Silicon monophosphide cation 1ΣC∞v
170 N2 Nitrogen diatomic 1ΣgD∞h
171 N2- nitrogen diatomic anion 2ΠgD∞h
172 PN- phosphorus nitride anion 2ΠC∞v
173 PN+ phosphorus nitride cation 2ΠC∞v
174 P2- phosphorus diatomic anion 2ΠgD∞h
175 P2+ phosphorus diatomic cation 2ΠUD∞h
176 HCN- Hydrogen cyanide anion 2A'Cs
177 HCN+ hydrogen cyanide cation 2ΠC∞v
178 HPO+ Hydrogen phosphorus oxide cation 2A'Cs
179 H2CN+ hydrocyanonium cation 1A1C2v
180 CH3NH3+ protonated methylamine 1A1C3v
181 LiO- lithium oxide anion 1ΣC∞v
182 LiO- lithium oxide anion 3ΣC∞v
183 LiO+ lithium oxide cation 3ΣC∞v
184 LiO+ lithium oxide cation 1ΣC∞v
185 NaO+ sodium oxide cation 3ΣC∞v
186 BeO- Beryllium monoxide anion 2ΣC∞v
187 BeO+ Beryllium monoxide cation 2ΠC∞v
188 MgO- magnesium oxide anion 2ΣC∞v
189 MgO+ magnesium oxide cation 2ΠC∞v
190 MgS- magnesium sulfide anion 2ΣC∞v
191 MgS+ magnesium sulfide cation 2ΠC∞v
192 BO- boron monoxide anion 1ΣC∞v
193 AlO- Aluminum monoxide anion 1ΣC∞v
194 AlO+ aluminum monoxide cation 1ΣC∞v
195 BS- boron monosulfide anion 1ΣC∞v
196 BS+ boron monosulfide cation 1ΣC∞v
197 AlS- aluminum monosulfide anion 1ΣC∞v
198 BO+ boron monoxide cation 1ΣC∞v
199 CO Carbon monoxide 1ΣC∞v
200 CO- carbon monoxide anion 2ΠC∞v
201 CO+ carbon monoxide cation 2ΣC∞v
202 CS- carbon monosulfide anion 2ΠC∞v
203 SiO- silicon monoxide anion 2ΠC∞v
204 SiO+ silicon monoxide cation 2ΣC∞v
205 SiS- silicon monosulfide anion 2ΠC∞v
206 SiS+ silicon monosulfide cation 2ΣC∞v
207 CSe+ Carbon monoselenide cation 2ΣC∞v
208 NO Nitric oxide 2ΠC∞v
209 NO- nitric oxide anion 1ΔC∞v
210 NO+ nitric oxide cation 1ΣC∞v
211 NS- nitrogen sulfide anion 3ΣC∞v
212 NS- nitrogen sulfide anion 1ΣC∞v
213 NS+ nitrogen sulfide cation 1ΣC∞v
214 PO- phosphorus monoxide anion 3ΣC∞v
215 PO+ phosphorus monoxide cation 1ΣC∞v
216 PS- phosphorus monosulfide anion 3ΣC∞v
217 PS- phosphorus monosulfide anion 1ΣC∞v
218 PS+ phosphorus monosulfide cation 1ΣC∞v
219 O2 Oxygen diatomic 3ΣgD∞h
220 SO Sulfur monoxide 1ΣC∞v
221 SO- sulfur monoxide anion 2ΠC∞v
222 SO+ sulfur monoxide cation 2ΠC∞v
223 S2 Sulfur diatomic 1ΣD∞h
224 S2- sulfur diatomic anion 2ΠD∞h
225 S2+ sulfur diatomic cation 2ΠD∞h
226 SeO Selenium monoxide 1?C∞v
227 SeO- selenium monoxide anion 2ΠC∞v
228 SeO+ selenium monoxide cation 2ΠC∞v
229 SeS- selenium monosulfide anion 2ΠC∞v
230 SeS+ selenium monosulfide cation 2ΠC∞v
231 Se2- selenium diatomic anion 2ΠD∞h
232 Se2+ selenium diatomic cation 2ΠgD∞h
233 HCO- formyl anion 1A'Cs
234 HCO+ Formyl cation 1ΣC∞v
235 HCS- Thioformyl anion 1A'Cs
236 HCS+ Thioformyl cation 1ΣC∞v
237 HNO- Nitrosyl hydride anion 2A"Cs
238 HNO+ Nitrosyl hydride cation 2A'Cs
239 HO2- Hydroperoxy anion 1A'Cs
240 HO2+ Hydroperoxy cation 1A'Cs
241 H2CO Formaldehyde 1A1C2v
242 LiCl- lithium chloride anion 2ΣC∞v
243 LiCl+ lithium chloride cation 2ΠC∞v
244 NaF- sodium fluoride anion 2ΣC∞v
245 NaF+ sodium fluoride cation 2ΣC∞v
246 NaCl- sodium chloride anion 2ΣC∞v
247 NaCl+ sodium chloride cation 2ΠC∞v
248 LiF- lithium fluoride anion 2ΣC∞v
249 LiF+ lithium fluoride cation 2ΠC∞v
250 BeF- Beryllium monofluoride anion 1ΣC∞v
251 BeF+ Beryllium monofluoride cation 1ΣC∞v
252 MgF- magnesium fluoride anion 1ΣC∞v
253 MgF+ magnesium fluoride cation 1ΣC∞v
254 MgCl- magnesium monochloride anion 1ΣC∞v
255 MgCl+ magnesium monochloride cation 1ΣC∞v
256 BeCl+ beryllium monochloride cation 1ΣC∞v
257 BF Boron monofluoride 1ΣC∞v
258 BF- Boron monofluoride anion 2ΠC∞v
259 BF+ Boron monofluoride cation 2ΣC∞v
260 AlF- Aluminum monofluoride anion 2ΠC∞v
261 AlF+ Aluminum monofluoride cation 2ΣC∞v
262 BCl+ boron monochloride cation 2ΣC∞v
263 CF- carbon monofluoride anion 1ΣC∞v
264 CF+ carbon monofluoride cation 1ΣC∞v
265 CCl+ carbon monochloride cation 1ΣC∞v
266 SiF- silicon monofluoride anion 3ΣC∞v
267 SiF+ silicon monofluoride cation 1ΣC∞v
268 SiCl- silicon monochloride anion 3ΣC∞v
269 SiCl+ silicon monochloride cation 1ΣC∞v
270 NF nitrogen fluoride 1ΣC∞v
271 NF- nitrogen monofluorine anion 2ΠC∞v
272 NF+ nitrogen monofluoirde cation 2ΠC∞v
273 NCl nitrogen monochloride 3ΣC∞v
274 NCl nitrogen monochloride 1ΣC∞v
275 NCl- nitrogen monochloride anion 2ΠC∞v
276 NCl+ nitrogen monochloride cation 2ΠC∞v
277 PF phosphorus monofluoride 1ΔC∞v
278 PF- phosphorus monofluoride anion 2ΠC∞v
279 PF+ phosphorus monofluoride cation 2ΠC∞v
280 PCl phosphorus chloride 1ΣC∞v
281 PCl- phosphorus monochloride anion 2ΠC∞v
282 PCl+ phosphorus monochloride cation 2ΠC∞v
283 FO- flourine oxide anion 1ΣC∞v
284 FO+ fluorine monoxide cation 3ΣC∞v
285 ClO+ chlorine monoxide cation 3ΣC∞v
286 ClO+ chlorine monoxide cation 1ΣC∞v
287 SF- sulfur monofluoride anion 1ΣC∞v
288 SF+ sulfur monofluoride cation 3ΣC∞v
289 SF+ sulfur monofluoride cation 1ΣC∞v
290 SCl- sulfur monochloride anion 1ΣC∞v
291 SCl+ sulfur monochloride cation 3ΣgC∞v
292 SCl+ sulfur monochloride cation 1ΣC∞v
293 F2 Fluorine diatomic 1ΣgD∞h
294 F2- flourine diatomic anion 2ΣuD∞h
295 F2+ flourine diatomic cation 2ΠgD∞h
296 ClF+ clorine monofluoride cation 2ΠC∞v
297 Cl2 Chlorine diatomic 1ΣgD∞h
298 Cl2- chlorine diatomic anion 2ΣuD∞h
299 Cl2+ chlorine diatomic cation 2ΠgD∞h
300 CH2F fluoromethyl radical 2ACs
301 NH2F monofluoroamine 1A'Cs
302 C3+ carbon trimer cation 2ΣuD∞h
303 C3H3- Propargyl anion 1A'Cs
304 C3H3+ cyclopropenyl cation 1A1D3h
305 C3H3+ Propargyl cation 1A1C2v
306 CH3CN+ Acetonitrile cation 2EC3v
307 N2O- Nitrous oxide anion 2A'Cs
308 N2O+ Nitrous oxide cation 2ΠC∞v
309 CO2 Carbon dioxide 1ΣgD∞h
310 CO2+ Carbon dioxide cation 2ΠgD∞h
311 OCS+ Carbonyl sulfide cation 2ΠC∞v
312 CS2+ Carbon disulfide cation 2ΠD∞h
313 NO2- Nitrogen dioxide anion 1A1C2v
314 NO2+ Nitrogen dioxide cation 1ΣGD∞h
315 PO2+ Phosphorus dioxide cation 1ΣGD∞h
316 O3- Ozone anion 2B1C2v
317 O3+ Ozone cation 2A1C2v
318 SO2+ Sulfur dioxide cation 2A1C2v
319 HCOO formate neutral radical 2A'Cs
320 HOCO+ Hydrocarboxyl cation 1A'Cs
321 HNO2+ nitrous acid cation 2A'Cs
322 CH2CO+ Ketene cation 2B1C2v
323 CH3CO+ acetyl cation 1A1C3v
324 CF2- Difluoromethylene anion 2B1C2v
325 CF2+ Difluoromethylene cation 2A1C2v
326 CCl2+ dichloromethylene cation 2A1C2v
327 ClOO+ chloroperoxy cation 1A'Cs
328 OClO+ Chlorine dioxide cation 1A1C2v
329 NF2+ Difluoroamino cation 1A1C2v
330 SF2+ sulfur difluoride cation 2B1C2v
331 HCCF+ fluoroacetylene cation 2ΠC∞v
332 C4+ Carbon tetramer cation 2ΠgD∞h
333 C2N2+ Cyanogen cation 2ΠgD∞h
334 HCCCN+ Cyanoacetylene cation 2ΠC∞v
335 C3H3N+ acrylonitrile cation 2A"Cs
336 NO3+ nitrogen trioxide cation 1A1C2v
337 NO3+ nitrogen trioxide cation 1A1'D3h
338 SO3- Sulfur trioxide anion 2A1pyramidal
339 SO3- Sulfur trioxide anion 2A2"planar
340 SO3+ Sulfur trioxide cation 2A2'D3h
341 C2Cl2+ dichloroacetylene cation 2ΠUD∞h
342 BF3 Borane, trifluoro- 1A'D3h
343 BF3- Borane, trifluoro- anion 2A1D3h
344 BF3+ boron trifluoride cation 2A2'D3h
345 AlF3 Aluminum trifluoride 1A1'D3h
346 CF3- Trifluoromethyl anion 1A1C3v
347 CF3+ Trifluoromethyl cation 1A1'D3h
348 CCl3- Trichloromethyl anion 1A1C3v
349 CCl3+ Trichloromethyl cation 1A1'D3h
350 SiCl3+ trichlorosilyl cation 1A1'D3h
351 NF3- Nitrogen trifluoride anion 2A1C3v
352 NF3+ Nitrogen trifluoride cation 2A1C3v
353 C3O2+ Carbon suboxide cation 2ΠUD∞h
354 C2HF3+ Trifluoroethylene cation 2A"Cs
355 C6H12O2 Methyl pivalate 1AC1
356 C6H12O2 Hexanoic acid 1A1Cs

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 h  
5 H+ Hydrogen atom cation h+  
6 D2 Deuterium diatomic d2  
7 H2+ Hydrogen cation h2+  
8 HD Deuterium hydride hd  
9 H3+ hydrogen trimer cation h3+  
10 He- Helium atom anion he-  
11 He+ Helium atom cation he+  
12 HeH Helium hydride heh  
13 He2+ helium diatomic cation he2+  
14 Li- Lithium atom anion li-  
15 Na- Sodium atom anion na-  
16 K Potassium atom k  
17 K- Potassium atom anion k-  
18 K+ Potassium atom cation k+  
19 Cu Copper atom cu  
20 Cu- Copper atom anion cu-  
21 Cu+ Copper atom cation cu+  
22 NaH sodium hydride nah  
23 KH Potassium hydride kh  
24 KH+ Potassium hydrogen cation kh+  
25 CuH Copper monohydride cuh  
26 Be- Beryllium atom anion be-  
27 Mg- Magnesium atom anion mg-  
28 Ca Calcium atom ca  
29 Ca- Calcium atom anion ca-  
30 Ca+ Calcium atom cation ca+  
31 Zn Zinc atom zn  
32 Zn- Zinc atom anion zn-  
33 Zn+ Zinc atom cation zn+  
34 BeH beryllium monohydride beh  
35 MgH magnesium monohydride mgh  
36 CaH Calcium monohydride cah  
37 CaH+ Calcium monohydride cation cah+  
38 TiH Titanium monohydride tih  
39 ZnH Zinc monohydride znh  
40 ZnH+ Zinc, protonated znh+  
41 BeH2 beryllium dihydride beh2  
42 BeH2+ Beryllium dihydride cation beh2+  
43 MgH2 magnesium dihydride mgh2  
44 CaH2 Calcium Hydride cah2  
45 ZnH2 Zinc hydride znh2  
46 B- Boron atom anion b-  
47 Al- Aluminum atom anion al-  
48 Sc Scandium atom sc  
49 Sc+ Scandium cation sc+  
50 Ga Gallium atom ga  
51 Ga- Gallium atom anion ga-  
52 Ga+ Gallium atom cation ga+  
53 BH Boron monohydride bh  
54 AlH aluminum monohydride alh  
55 ScH Scandium monohydride sch  
56 ScH+ Scandium monohydride cation sch+  
57 GaH Gallium monohydride gah  
58 GaH+ Gallium monohydride cation gah+  
59 BH2 boron dihydride bh2  
60 BH2- boron dihydride anion bh2-  
61 BH2+ Boron dihydride cation bh2+  
62 AlH2 aluminum dihydride alh2  
63 BH3 boron trihydride bh3  
64 AlH3 aluminum trihydride alh3  
65 AlH3+ aluminum trihydride cation alh3+  
66 ScH3 Scandium trihydride sch3  
67 GaH3 Gallium trihydride gah3  
68 BH4 borohydride bh4  
69 BH4- borohydride anion bh4-  
70 AlH4- Aluminum tetrahydride anion alh4-  
71 C- Carbon atom anion c-  
72 Si- Silicon atom anion si-  
73 Ti Titanium atom ti  
74 Ti- Titanium atom anion ti-  
75 Ti+ Titanium atom cation ti+  
76 Ge Germanium atom ge  
77 Ge- Germanium anion ge-  
78 Ge+ Germanium cation ge+  
79 Sn Tin atom sn  
80 Sn+ Tin cation sn+  
81 CH Methylidyne ch  
82 SiH Silylidyne sih  
83 GeH germylidene geh  
84 GeH+ Germaniun monohyrdide cation geh+  
85 CH2 Methylene ch2  
86 SiH2 silicon dihydride sih2  
87 GeH2 germylene geh2  
88 GeH2- germylene anion geh2-  
89 CH3 Methyl radical ch3  
90 SiH3 Silyl radical sih3  
91 GeH3 Germyl radical geh3  
92 GeH3+ germyl cation geh3+  
93 CD4 methane-d4 cd4  
94 CH2D2 methane-d2 ch2d2  
95 CH3D methane-d ch3d  
96 CH4- Methane anion ch4-  
97 CHD3 methane-d3 chd3  
98 SiH2D2 silane-d2 sih2d2  
99 SiH4 Silane sih4  
100 SiH4+ Silane cation sih4+  
101 GeH4 Germane geh4  
102 SnH4 Stannane snh4  
103 SiH5+ Silane, protonated sih5+  
104 N- Nitrogen atom anion n-  
105 P- Phosphorus atom anion p-  
106 P+ Phosphorus atom cation p+  
107 V Vanadium atom v  
108 V+ Vanadium atom cation v+  
109 As Arsenic atomic as  
110 As- Arsenic anion as-  
111 As+ Arsenic cation as+  
112 Sb Antimony atom sb  
113 NH Imidogen nh  
114 PH phosphorus monohydride ph  
115 AsH Arsenic monohydride ash  
116 AsH+ Arsenic monohydride cation ash+  
117 SbH Antimony monohydride sbh  
118 ND2 Amidogen-d2 nd2  
119 NH2 Amino radical nh2  
120 NH2+ Amino cation nh2+  
121 PH2 Phosphino radical ph2  
122 AsH2 Arsenic dihydride ash2  
123 AsH2+ Arsenic dihydride cation ash2+  
124 ND3 Ammonia-d3 nd3  
125 NH3- Ammonia anion nh3-  
126 NH3+ ammonia cation nh3+  
127 PH3 Phosphine ph3  
128 AsH3 Arsine ash3  
129 AsH3+ Arsine cation ash3+  
130 SbH3 Stibine sbh3  
131 AsH4+ Arsonium ash4+  
132 NH4 Ammonium radical nh4  
133 NH4+ ammonium cation nh4+  
134 PH4 Phosphoranyl radical ph4  
135 O- Oxygen atom anion o-  
136 S- Sulfur atom anion s-  
137 S+ Sulfur atom cation s+  
138 Cr Chromium atom cr  
139 Se Selenium atom se  
140 Se- Selenium atom anion se-  
141 Se+ Selenium atom cation se+  
142 Te Tellurium atom te  
143 Te+ Tellurium atom cation te+  
144 DO Hydroxyl-d od  
145 DS Mercapto-d ds  
146 HS Mercapto radical hs  
147 CrH Chromium hydride crh  
148 CrH+ Chromium hydride cation crh+  
149 HSe Selenium monohydride hse  
150 TeH Telluryl radical teh  
151 D2O Deuterium oxide d2o  
152 HDO Water-d1 hdo  
153 D2S Hydrogen sulfide-d2 d2s  
154 H2S Hydrogen sulfide h2s  
155 H2S- Hydrogen sulfide anion h2s-  
156 H2Se Hydrogen selenide h2se  
157 H2Te Hydrogen Telluride h2te  
158 H3S+ Sulfonium cation h3s+  
159 H3Se+ Hydrogen Selenide, protonated h3se+  
160 F- Fluorine atom anion f-  
161 Cl- Chlorine atom anion cl-  
162 Mn Manganese atom mn  
163 Br Bromine atom br  
164 Br- Bromine atom anion br-  
165 Br+ Bromine atom cation br+  
166 I Iodine atom iodine  
167 I- Iodine atom anion iodine-  
168 I+ Iodine atom cation iodine+  
169 DF Hydrofluoric acid-d df  
170 HF- hydrogen fluoride anion hf-  
171 DCl Hydrochloric acid-d dcl  
172 HCl- hydrogen chloride anion hcl-  
173 HBr hydrogen bromide hbr  
174 HI Hydrogen iodide hi  
175 HI+ Hydrogen iodide cation hi+  
176 H2F+ dihydrogen fluoride cation h2f+  
177 H2Br+ protonated hydrogen bromide h2br+  
178 H2I+ Iodonium h2i+  
179 Ne- Neon atom anion ne-  
180 Ar- Argon atom anion ar-  
181 Ar+ Argon atom cation ar+  
182 Fe Iron atom fe  
183 Kr Krypton atom kr  
184 Kr+ Krypton cation kr+  
185 Xe Xenon atom xe  
186 HeLi+ Helium Lithium cation heli+  
187 NeH neon hydrogen neh  
188 KrH+ Protonated Krypton krh+  
189 XeH+ Xenon, protonated xeh+  
190 H2Ar H2 Ar dimer h2ar  
191 Co Cobalt atom cobalt  
192 Ni Nickel atom ni  
193 Li2 Lithium diatomic li2  
194 NaLi lithium sodium lina  
195 LiK Lithium Potassium lik  
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 BeMg Beryllium Magnesium bemg  
206 Mg2 Magnesium diatomic mg2  
207 Ca2 Calcium diatomic ca2  
208 LiB Lithium boride lib  
209 LiAl Lithium Aluminum lial  
210 NaAl Sodium aluminum naal  
211 BeB Beryllium monoboride beb  
212 B2 Boron diatomic b2  
213 BAl Boron Aluminum bal  
214 Al2 Aluminum diatomic al2  
215 Al2- aluminum diatomic anion al2-  
216 Al2+ aluminum diatomic cation al2+  
217 BGa Boron Gallium bga  
218 AlGa Aluminum Gallium alga  
219 Ga2 Gallium diatomic ga2  
220 HBBH Diborane(2) hbbh  
221 LiBH4 Lithium borohydride libh4  
222 B2H4 Diborane(4) D2d b2h4  
223 HBHHBH Diborane(4) C2V hbhhbh  
224 B2H6 Diborane b2h6  
225 B2H6+ Diborane cation b2h6  
226 Al2H6 dialane al2h6  
227 Ga2H6 digallane ga2h6  
228 LiC Lithium Carbide lic  
229 BeC Beryllium Carbide bec  
230 CaC Calcium monocarbide cac  
231 BC boron monocarbide bc  
232 AlC Aluminum carbide alc  
233 BSi Boron silicide bsi  
234 C2 Carbon diatomic c2  
235 C2+ carbon diatomic cation c2+  
236 Si2 Silicon diatomic si2  
237 GeC Germanium monocarbide gec  
238 SiGe Silicon Germanium sige  
239 Ge2 Germanium diatomic ge2  
240 C2H Ethynyl radical c2h  
241 ZnCH2 Zinc methylene znch2  
242 C2H2+ acetylene cation c2h2+  
243 CCH2 vinylidene vinylidene  
244 H2CC- vinylidene anion h2cc-  
245 HCCH- acetylene anion c2h2-  
246 Si2H2 disilyne si2h2  
247 CH3Li methyl lithium ch3li  
248 CuCH3 monomethyl copper cuch3  
249 ZnCH3 Zinc monomethyl znch3  
250 CH2BH methyleneborane ch2bh  
251 C2H3 vinyl c2h3  
252 C2H3- vinyl anion c2h3-  
253 CH2SiH2 silaethylene ch2sih2  
254 Si2H4 Disilene si2h4  
255 CH3BH2 methylborane ch3bh2  
256 C2H5 Ethyl radical c2h5  
257 C2H5- Ethyl anion c2h5-  
258 C2H5+ Ethyl cation c2h5+  
259 C2H6+ ethane cation c2h6+  
260 CH3SiH3 methyl silane ch3sih3  
261 Si2H6 disilane si2h6  
262 GeH3CH3 methyl germane geh3ch3  
263 C2H7+ Ethane, protonated c2h7+  
264 LiN Lithium Nitride lin  
265 LiN+ Lithium Nitride cation lin+  
266 LiP Lithium monophosphide lip  
267 BeN Beryllium mononitride ben  
268 BeN+ Beryllium mononitride cation ben+  
269 MgN Magnesium Nitride mgn  
270 BP Boron monophosphide bp  
271 AlP Aluminum monophosphide alp  
272 GaN Gallium mononitride gan  
273 GaP Gallium monophosphide gap  
274 GaAs Gallium arsenide gaas  
275 BN boron nitride bn  
276 AlN Aluminum nitride aln  
277 CN Cyano radical cn  
278 CP Carbon monophosphide cp  
279 CP+ carbon monophosphide cation cp+  
280 SiN Silicon nitride sin  
281 TiN Titanium mononitride tin  
282 N2+ diatomic nitrogen cation n2+  
283 PN Phosphorus mononitride pn  
284 P2 Phosphorus diatomic p2  
285 AsN Arsenic mononitride asn  
286 AsP Arsenic monophosphide asp  
287 SbN Antimony nitride sbn  
288 As2 Arsenic diatomic as2  
289 HNB hydrogen nitrogen boron hnb  
290 HNC hydrogen isocyanide hnc  
291 HCN Hydrogen cyanide hcn  
292 HNC+ hydrogen isocyanide cation hnc+  
293 HCP Phosphaethyne hcp  
294 HCP+ Phosphaethyne cation hcp+  
295 NNH Dinitrogen monohydride nnh  
296 NNH+ Dinitrogen monohydride cation nnh+  
297 HPO Hydrogen phosphorus oxide hpo  
298 LiNH2 lithium amide linh2  
299 HBNH Boranimine hbnh  
300 CNH2 Aminomethylidyne radical cnh2  
301 CNH2+ N-protonated hydrogen isocyanide cnh2+  
302 H2CN Dihydrogen cyanide radical h2cn  
303 HCNH methyleneazane hcnh  
304 HCNH+ N-protonated HCN hcnh+  
305 H2NN Isodiazene h2nn  
306 N2H2 (E)-diazene n2h2  
307 N2H2 (Z)-Diazene n2h2z  
308 N2H2+ trans-diazene cation n2h2+  
309 CH2NH Methanimine ch3n  
310 CH2NH+ Methanimine cation ch2nh+  
311 CHNH2 aminomethylene chnh2  
312 CHNH2+ Aminocarbene cation chnh2+  
313 CH2PH Phosphaethene ch3p  
314 BH2NH2 Boranamine bh2nh2  
315 CH2NH2+ methyleneamine cation ch2nh2+  
316 N2H4 Hydrazine n2h4  
317 N2H4+ hydrazine cation n2h4+  
318 P2H4 Diphosphine p2h4  
319 CH3NH2 methyl amine ch3nh2  
320 CH3NH2+ methyl amine cation ch3nh2+  
321 CH3PH2 Methyl phosphine ch3ph2  
322 SiH3NH2 Silane, amino sih3nh2  
323 N2H5+ protonated hydrazine n2h5+  
324 BH3PH3 borane phosphine bh3ph3  
325 BH3NH3 borane ammonia bh3nh3  
326 CH3NH3 methyl ammonium radical ch3nh3  
327 CH3PH3+ methyl phosphine, protonated ch3ph3+  
328 NH3NH3 Ammonia Dimer nh3nh3  
329 N2H7+ ammonia ammonium dimer n2h7+  
330 LiO lithium oxide lio  
331 LiS Lithium monosulfide lis  
332 LiS+ Lithium sulfide cation lis+  
333 NaO sodium monoxide nao  
334 NaO- sodium oxide anion nao-  
335 KO Potassium monoxide ko  
336 KO+ Potassium monoxide cation ko+  
337 NaS Sodium sulfide nas  
338 CuO Copper Monoxide cuo  
339 LiSe Lithium monoselenide lise  
340 BeO beryllium oxide beo  
341 BeS beryllium sulfide bes  
342 MgO magnesium oxide mgo  
343 CaO Calcium monoxide cao  
344 MgS magnesium sulfide mgs  
345 CaS Calcium sulfide cas  
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 bo  
351 AlO Aluminum monoxide alo  
352 BS boron sulfide bs  
353 AlS Aluminum sulfide als  
354 AlS+ aluminum monosulfide cation als+  
355 ScO Scandium monoxide sco  
356 GaO Gallium monoxide gao  
357 GaS Gallium monosulfide gas  
358 CS carbon monosulfide cs  
359 CS+ carbon monosulfide cation cs+  
360 SiO Silicon monoxide sio  
361 SiS silicon monosulfide sis  
362 TiO Titanium monoxide tio  
363 CSe Carbon monoselenide cse  
364 CSe- Carbon monoselenide anion cse-  
365 GeO Germanium monoxide geo  
366 GeO+ Germanium monoxide cation geo+  
367 GeS Germanium monosulfide ges  
368 SiSe Silicon Monoselenide sise  
369 SiSe+ Silicon Monoselenide cation sise+  
370 GeSe Germanium monoselenide gese  
371 NO- nitric oxide anion no-  
372 NS Mononitrogen monosulfide ns  
373 PO Phosphorus monoxide po  
374 PS phosphorus sulfide ps  
375 VO Vanadium monoxide vo  
376 AsO Arsenic monoxide aso  
377 NSe Nitrogen monoselenide nse  
378 AsS Arsenic monosulfide ass  
379 PSe Phosphorus monoselenide pse  
380 AsSe Arsenic monoselenide asse  
381 O2- oxygen diatomic anion o2-  
382 O2-- dioxygen dianion o2--  
383 O2+ diatomic oxygen cation o2+  
384 SO Sulfur monoxide so  
385 S2 Sulfur diatomic s2  
386 SeO Selenium monoxide seo  
387 SeS Selenium monosulfide ses  
388 TeO Tellurium monoxide teo  
389 Se2 Selenium diatomic se2  
390 Te2 Tellurium diatomic te2  
391 LiOH lithium hydroxide lioh  
392 NaOH sodium hydroxide naoh  
393 KOH Potassium hydroxide koh  
394 BeOH beryllium monohydroxide beoh  
395 MgOH magnesium hydroxide mgoh  
396 CaOH Calcium monohydroxide caoh  
397 HBO Boron hydride oxide hbo  
398 HBS hydrogen boron sulfide hbs  
399 COH Hydroxymethylidyne coh  
400 COH+ Carbon Monoxide, protonated coh+  
401 HCO Formyl radical hco  
402 HCS Thioformyl radical hcs  
403 HNO Nitrosyl hydride hno  
404 NOH Hydroxyimidogen noh  
405 NOH+ O-protonated nitric oxide noh+  
406 HNS Sulfur imide hns  
407 HNS- Sulfur imide anion hns-  
408 HO2 Hydroperoxy radical ho2  
409 HO2+ Hydroperoxy cation ho2+  
410 HSO+ Sulfur Monoxide, S-protonated HSO+  
411 SOH Sulfur Hydroxide soh  
412 SOH+ Sulfur Monoxide, protonated soh+  
413 HS2 Thiosulfeno radical hs2  
414 H2CO- formaldehyde anion h2co-  
415 H2CO+ formaldehyde cation h2co+  
416 HOCH hydroxycarbene hoch  
417 H2CS Thioformaldehyde h2cs  
418 H2CS- thioformaldehyde anion h2cs-  
419 H2CS+ thioformaldehyde cation h2cs+  
420 H2CSe Selenoformaldehyde h2cse  
421 H2NO nitroxide h2no  
422 H2O2 Hydrogen peroxide h2o2  
423 H2O2+ Hydrogen peroxide cation h2o2+  
424 H2OO water oxide h2oo  
425 HOSH hydrogen thioperoxide hosh  
426 H2S2 Disulfane h2s2  
427 H2S2+ hydrogen disulfide cation h2s2+  
428 H2Se2 hydrogen diselenide h2se2  
429 CH2OH Hydroxymethyl radical ch2oh  
430 CH2OH+ hydroxymethyl cation ch2oh+  
431 CH3O Methoxy radical ch3o  
432 CH3O- methoxy anion ch3o-  
433 CH3O+ Methoxy cation ch3o+  
434 CH3S thiomethoxy ch3s  
435 H2CSH+ Thioformaldehyde, protonated h2csh+  
436 NH2OH hydroxylamine nh2oh  
437 NH2OH+ Hydroxylamine cation nh2oh+  
438 NH3O Ammonia Oxide nh3o  
439 H2POH Phosphinous acid h2poh  
440 H3PO Phosphine oxide h3po  
441 NH2SH Thiohydroxylamine nh2sh  
442 NH3S sulfidoazane nh3s  
443 H3O2+ hydrogen peroxide, protonated h3o2+  
444 CH3OH Methyl alcohol ch3oh  
445 CH3OH- Methyl alcohol anion ch3oh-  
446 CH3OH+ Methyl alcohol cation ch3oh+  
447 CH3SH Methanethiol ch3sh  
448 CH3SH+ Methanethiol cation ch3sh+  
449 SiH3OH silanol sih3oh  
450 CH3SeH Methane selenol ch3seh  
451 NH2OH2+ protonated hydroxylamine nh2oh2+  
452 NH3OH+ N-protonated hydroxylamine nh3oh+  
453 H2OH2O water dimer h2oh2o  
454 CH3OH2+ Methanol, protonated ch3oh2+  
455 CH3SH2+ protonated methylsulfide ch3sh2+  
456 H2ONH3 Water Ammonia Dimer h2onh3  
457 H5O2+ Dihydroxonium ion h5o2+  
458 LiF lithium fluoride lif  
459 LiCl lithium chloride licl  
460 NaF sodium fluoride naf  
461 KF Potassium Fluoride kf  
462 NaCl Sodium Chloride nacl  
463 KCl Potassium Chloride kcl  
464 CuF Copper monofluoride cuf  
465 LiBr Lithium Bromide libr  
466 LiBr- lithium bromide anion libr-  
467 LiBr+ lithium bromide cation libr+  
468 CuCl Copper monochloride cucl  
469 NaBr Sodium Bromide nabr  
470 NaBr- sodium bromide anion nabr-  
471 NaBr+ sodium bromide cation nabr+  
472 KBr Potassium Bromide kbr  
473 LiI Lithium Iodide lii  
474 NaI Sodium Iodide nai  
475 KI Potassium Iodide ki  
476 BeF Beryllium monofluoride bef  
477 BeCl beryllium monochloride becl  
478 MgF Magnesium monofluoride mgf  
479 CaF Calcium monofluoride caf  
480 MgCl magnesium monochloride mgcl  
481 CaCl calcium monochloride cacl  
482 TiCl Titanium Monochloride ticl  
483 ZnF Zinc monofluoride znf  
484 ZnF- Zinc monofluoride anion znf-  
485 ZnF+ Zinc monofluoride cation znf+  
486 ZnCl Zinc monochloride zncl  
487 CaBr Calcium monobromide cabr  
488 BeCl- beryllium monochloride anion becl-  
489 AlF Aluminum monofluoride alf  
490 BCl boron monochloride bcl  
491 BCl- boron monochloride anion bcl-  
492 AlCl Aluminum monochloride alcl  
493 AlCl- aluminum monochloride anion alcl-  
494 AlCl+ aluminum monochloride cation alcl+  
495 ScF Scandium monofluoride scf  
496 BBr Boron monobromide bbr  
497 GaF Gallium monofluoride gaf  
498 GaF+ Gallium monofluoride cation gaf+  
499 AlBr Aluminum monobromide albr  
500 GaCl Gallium monochloride gacl  
501 GaCl+ Gallium monochloride cation gacl+  
502 AlI Aluminum monoiodide ali  
503 GaBr Gallium monobromide gabr  
504 CF Fluoromethylidyne cf  
505 CF- carbon monofluoride anion cf-  
506 CCl carbon monochloride ccl  
507 CCl- carbon monochloride anion ccl-  
508 SiF silicon monofluoride sif  
509 SiCl Clorosilylidyne sicl  
510 CBr Carbon monobromide cbr  
511 GeF Germanium monofluoride gef  
512 GeF+ Germanium monofluoride cation gef+  
513 GeCl Germanium monochloride gecl  
514 GeCl+ Germanium monochloride cation gecl+  
515 SiBr Silicon monobromide sibr  
516 SiBr+ Silicon monobromide cation sibr+  
517 NF nitrogen fluoride nf  
518 PF phosphorus monofluoride pf  
519 PCl phosphorus chloride pcl  
520 AsF Arsenic monofluoride asf  
521 NBr nitrogen monobromide nbr  
522 AsCl Arsenic monochloride ascl  
523 PBr Phosphorus monobromide pbr  
524 SbF Antimony monofluoride sbf  
525 SbCl Antimony monochloride sbcl  
526 FO Oxygen monofluoride fo  
527 ClO Monochlorine monoxide clo  
528 ClO- chlorine monoxide anion clo-  
529 SF Monosulfur monofluoride sf  
530 SCl sulfur monochloride scl  
531 BrO Bromine monoxide bro  
532 BrO- Bromine monoxide anion bro-  
533 BrO+ Bromine monoxide cation bro+  
534 SeF Selenium monofluoride sef  
535 SBr Sulfur monobromide radical sbr  
536 SBr+ Sulfur monobromide cation sbr+  
537 SeCl Selenium monochloride secl  
538 IO Iodine monoxide io  
539 SeBr Selenium monobromide sebr  
540 BrCl Bromine monochloride brcl  
541 ClF Chlorine monofluoride clf  
542 ClF- clorine monofluoride anion clf-  
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 HCF Fluoromethylene hcf  
557 HCCl Chloromethylene hccl  
558 HSiF fluorosilylene hsif  
559 HSiCl Chlorosilylene hsicl  
560 HSiBr monobromosilylene hsibr  
561 CHBr bromomethylene chbr  
562 HOF Hypofluorous acid hfo  
563 DOCl Hypochlorous acid-d docl  
564 HOCl hypochlorous acid hocl  
565 HOCl+ hypochlorous acid cation hocl+  
566 HOBr Hypobromous acid hobr  
567 HOBr+ Hypobromous acid cation hobr+  
568 HOI Hypoiodous acid hoi  
569 F2H+ Fluorine, protonated f2h+  
570 FHF Hydrogen difluoride fhf  
571 FHF- Hydrogen difluoride anion fhf-  
572 ClFH+ Chlorine fluoride, F-protonated clfh+  
573 FClH+ Chlorine fluoride, Cl-protonated fclh+  
574 Cl2H+ Chlorine, protonated cl2h+  
575 CH2Br bromomethyl radical ch2br  
576 CH2F+ fluoromethyl cation ch2f+  
577 CH2Cl+ chloromethyl cation ch2cl+  
578 CH2Cl chloromethyl radical ch2cl  
579 NH2Cl chloramine nh2cl  
580 H2F2 Hydrogen fluoride dimer h2f2  
581 CH3F+ methyl fluoride cation ch3f+  
582 CD3F methylfluoride-d3 cd3f  
583 CH3F Methyl fluoride ch3f  
584 CD3Cl methyl chloride d3 cd3cl  
585 CH3Cl Methyl chloride ch3cl  
586 CH3Cl+ Methyl chloride cation ch3cl+  
587 SiH3F monofluorosilane sih3f  
588 SiH3Cl chlorosilane sih3cl  
589 CH3Br methyl bromide ch3br  
590 GeH3F monofluorogermane geh3f  
591 GeH3Cl monochlorogermane geh3cl  
592 SiH3Br bromosilane sih3br  
593 CH3I methyl iodide ch3i  
594 SiH3I Silyl Iodide sih3i  
595 NH3Cl+ protonated monochloroammonia nh3cl+  
596 CH3ClH+ methyl chloride, protonated ch3clh+  
597 NH4Cl Ammonium chloride nh4cl  
598 LiNe+ Lithium Neon cation line+  
599 Ne2 Neon diatomic ne2  
600 Ne2+ Neon diatomic cation ne2+  
601 Ar2 Argon diatomic ar2  
602 Ar2+ Argon diatomic cation ar2+  
603 Li3 Lithium trimer li3  
604 Li3+ Lithium trimer cation li3+  
605 C3 carbon trimer c3  
606 SiC2 Silicon dicarbide sic2  
607 C3H3 cyclopropenyl radical cpr  
608 C3H3 Propargyl radical propargyl  
609 C3H4 cyclopropene cprop  
610 CH2CCH2 allene allene  
611 CH3CCH propyne propyne  
612 C3H5 Allyl radical allyl  
613 C3H5+ Allyl cation allyl+  
614 CH3CHCH 1-propenyl radical ch3chch  
615 Zn(CH3)2 dimethyl zinc dmz  
616 C3H6 Cyclopropane c3h6  
617 CH2CHCH3 Propene propene  
618 C3H7 n-Propyl radical npropyl  
619 C3H7+ cyclopropane, protonated c3h7+  
620 CH3CHCH3 Isopropyl radical isopropyl  
621 CH3CHCH3+ Isopropyl cation prop2yl+  
622 C3H8 Propane propane  
623 SiH2(CH3)2 dimethylsilane dms  
624 Si3H8 trisilane si3h8  
625 LiCN lithium cyanide licn  
626 NaCN Sodium Cyanide nacn  
627 KCN Potassium cyanide kcn  
628 CuCN Copper cyanide cucn  
629 ZnCN Zinc monocyanide zncn  
630 ZnNC Zinc isocyanide znnc  
631 AlCN Aluminum monocyanide alcn  
632 AlNC Aluminum isocyanide alnc  
633 CN2 3H-Diazirin-3-ylidene cn2  
634 CNN Diazocarbene cnn  
635 NCN Cyanoimidogen ncn  
636 N3 azide radical n3  
637 N3- azide anion n3-  
638 N3+ azide cation n3+  
639 HCCN cyanomethylene hccn  
640 HCNN diazomethyl radical hcnn  
641 HN3 hydrogen azide hn3  
642 HN3+ Hydrazoic acid cation hn3+  
643 HNCNH diiminomethane hncnh  
644 CH2N2 diazirine ch2n2  
645 CH2NN diazomethane ch2nn  
646 NH2CN cyanamide cyanamide  
647 HNNNH+ 1,2-Triazadienium n2h3+  
648 NH2NN+ hydrazoic acid, protonated nh2nn+  
649 CH3CN Acetonitrile ch3cn  
650 CH3CN- acetonitrile anion ch3cn-  
651 CH3NC methyl isocyanide ch3nc  
652 CHNCH2 2H-Azirine c157164  
653 CHNHCH 1H-Azirine chnhch  
654 H2CCNH Ethenimine ch2cnh  
655 H2CNCH methyleneaminomethylene ch2nch  
656 HCCNH2 Ethynamine hccnh2  
657 HCNCH2+ 2H-Azirine cation hcnch2+  
658 HNCNH2+ diiminomethane, protonated hncnh2+  
659 NCNH3+ Cyanamide, protonated ncnh3+  
660 NH2CNH+ cyanamide, cn protonated nh2cnh+  
661 NH3CN+ cyanamide, amine protonated nh3cn+  
662 CH2CHNH vinylazine ch2chnh  
663 CH3CHN methylmethaniminyl radical ch3chn  
664 NHCHNH2 aminomethanimine cn2h4  
665 C2H5N Aziridine c2h5n  
666 CH2CHNH2 aminoethene aminoethene  
667 CH2NCH3 N-methylmethanimine nmm  
668 CH3CHNH ethanimine ethanimine  
669 NH2BHNH2 diaminoborane nh2bhnh2  
670 C2H5NH+ Protonated Aziridine c2h5nh+  
671 C2H6N+ aziridine, protonated c2h6n+  
672 NH2CH2NH2 diaminomethane nh2ch2nh2  
673 CH3CH2NH2 Ethylamine etam  
674 CH3NHCH3 Dimethylamine ch3nhch3  
675 CH3PHCH3 dimethylphosphine ch3phch3  
676 NH2CH2NH3+ diaminoethane, protonated pdam  
677 (CH3)2NH2+ dimethylammonium cation dmam  
678 CH3CH2NH3+ ethylamine, protonated pea  
679 Li2O dilithium oxide li2o  
680 Li2O+ dilithium oxide cation li2o+  
681 Li2S dilithium sulfide li2s  
682 Na2O disodium monoxide na2o  
683 Na2S Sodium sulfide na2s  
684 LiO2 Lithium dioxide lio2  
685 NaO2 Sodium superoxide nao2  
686 CCO Dicarbon monoxide cco  
687 CNO- fulminate cno-  
688 NCO isocyanato radical nco  
689 NCO- cyanate nco-  
690 SCN thiocyanato radical scn  
691 SCN- thiocyanide anion scn-  
692 BO2 Boron dioxide bo2  
693 BO2- Boron dioxide anion bo2-  
694 BO2+ Boron dioxide cation bo2+  
695 N2O Nitrous oxide n2o  
696 NNS Nitrogen sulfide nns  
697 PPO Phosphorus oxide phosphide ppo  
698 CO2- Carbon dioxide anion co2-  
699 OCS Carbonyl sulfide cos  
700 SiO2 silicon dioxide sio2  
701 CS2 Carbon disulfide cs2  
702 CS2- Carbon disulfide anion cs2-  
703 TiO2 Titanium dioxide tio2  
704 SiS2 Silicon disulfide sis2  
705 GeO2 Germanium dioxide geo2  
706 OCSe Carbonyl selenide ocse  
707 SCSe Carbon sulfide selenide scse  
708 GeS2 Germanium disulfide ges2  
709 CSe2 Carbon diselenide cse2  
710 SCTe Carbon sulfide Telluride scte  
711 NO2 Nitrogen dioxide no2  
712 NSO sulfinyl amidogen NSO  
713 PO2 Phosphorus dioxide po2  
714 PO2- Phosphorus dioxide anion po2-  
715 SNO Nitrogen oxide sulfide sno  
716 AsO2 Aresenic dioxide aso2  
717 O3 Ozone o3  
718 SO2 Sulfur dioxide so2  
719 SO2- Sulfur dioxide anion so2-  
720 SSO Disulfur monoxide sso  
721 S3 Sulfur trimer s3  
722 S3- Sulfur trimer anion s3-  
723 S3+ Sulfur trimer cation s3+  
724 SeO2 Selenium dioxide seo2  
725 SeO2+ Selenium dioxide cation seo2+  
726 TeO2 Tellurium Dioxide teo2  
727 HCCO ketenyl radical ketenyl  
728 CS2H+ Carbon disulfide, protonated cs2h+  
729 HCNO fulminic acid hcno  
730 HNCO Isocyanic acid hnco  
731 HOCN cyanic acid hocn  
732 HNCS Isothiocyanic acid hncs  
733 HSCN thiocyanic acid hscn  
734 HCO2- formate anion hco2-  
735 HNNO nitrosoazane hnno  
736 HNNO+ Nitrous oxide, N-protonated hnno+  
737 NNOH+ Nitrous Oxide, O-protonated nnoh+  
738 HOCO Hydrocarboxyl radical hoco  
739 HNO2 Nitrous acid hno2  
740 O3H+ protonated ozone o3h+  
741 SO2H+ protonated sulfur dioxide so2h+  
742 C2H2O Oxirene oxirene  
743 CH2CO Ketene ch2co  
744 HCCOH ethynol hccoh  
745 CH2CS Thioketene ch2cs  
746 Be(OH)2 Beryllium hydroxide beo2h2  
747 Mg(OH)2 Magnesium dihydroxide h2mgo2  
748 NH2NO Nitrosamide nh2no  
749 CH2O2 Dioxirane diox  
750 H2COO Dioxymethyl radical h2coo  
751 H2COO+ dioxymethyl cation h2coo+  
752 HCOOH Formic acid ch2o2  
753 H2O3 Hydrogen trioxide h2o3  
754 HSSSH trisulfane hsssh  
755 NaOCH3 Sodium methoxide naoch3  
756 CH2BOH hydroxy(methylene)borane ch2boh  
757 BH3CO Borane carbonyl bh3co  
758 CH3BO Borane, methyloxo- ch3bo  
759 CH2CHO Vinyloxy radical ch2cho  
760 CH2COH+ ketene, protonated ch2coh+  
761 CH3CO Acetyl radical ch3co  
762 CH3CO- Acetyl anion ch3co-  
763 CH2NOH formaldoxime ch2noh  
764 CH3NO nitrosomethane ch3no  
765 CHONH2 formamide formamide  
766 CNOH3 1,2-oxaziridine cnoh3  
767 HOCHNH hydroxymethylimine hochnh  
768 CHSNH2 thioformamide chsnh2  
769 NHCHSH Methanimidothioic acid nhchsh  
770 CH2OOH CH2OOH radical ch2ooh  
771 CH3OO methylperoxy radical ch3oo  
772 CH3OO- methylperoxy anion ch3oo-  
773 CH3OO+ methylperoxy cation ch3oo+  
774 C2H4O Ethylene oxide c2h4o  
775 C2H4O+ ethylene oxide cation c2h4o+  
776 CH2CHOH ethenol ch2choh  
777 CH3CHO Acetaldehyde ch3cho  
778 CH3CHO+ acetaldehyde cation ch3cho+  
779 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
780 C2H4S Thiirane thiirane  
781 CH2CHSH Ethenethiol ch2chsh  
782 CH3CHS Thioacetaldehyde ch3chs  
783 H2CONH2+ protonated formamide h2conh2+  
784 NH2CHOH+ Formamide, O-protonated nh2choh+  
785 NH3CHO+ Formamide, N-Protonated nh3cho+  
786 CH2(OH)2 methanediol ch2o2h2  
787 CH3OOH Methyl peroxide ch3ooh  
788 CH3SSH Hydrogen methyl disulfide ch3ssh  
789 HSCH2SH Methanedithiol ch4s2  
790 H2OH2CO water formaldehyde dimer h2oh2co  
791 C2H4OH+ ethylene oxide, protonated c2h4oh+  
792 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
793 CH3CH2O Ethoxy radical ethoxy  
794 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
795 CH3CHOH+ acetaldehyde, protonated ch3choh+  
796 CH3OCH2 methoxymethyl radical ch3och2  
797 NH2CH2OH aminomethanol nh2ch2oh  
798 CH3CH2OH Ethanol etoh  
799 CH3OCH3 Dimethyl ether meome  
800 CH3CH2SH ethanethiol etsh  
801 CH3SCH3 Dimethyl sulfide mesme  
802 CH3SCH3+ dimethyl sulfide cation mesme+  
803 CH3SeCH3 dimethylselenide dmse  
804 CH3OHH2O methanol water dimer ch3ohh2o  
805 H2OCH3OH water methanol dimer h2och3oh  
806 CuF2 Copper difluoride cuf2  
807 ZnF2 Zinc difluoride znf2  
808 CNF iso cyanogen fluoride cnf  
809 FCN Cyanogen fluoride fcn  
810 ClCN chlorocyanogen clcn  
811 BrCN Cyanogen bromide brcn  
812 ICN Cyanogen iodide icn  
813 FBO Boron monofluoride monoxide fbo  
814 BeF2 Beryllium fluoride bef2  
815 MgF2 Magnesium fluoride mgf2  
816 BeCl2 Beryllium chloride becl2  
817 MgCl2 Magnesium dichloride mgcl2  
818 CaCl2 Calcium Chloride cacl2  
819 ZnCl2 Zinc dichloride zncl2  
820 BeBr2 Beryllium bromide bebr2  
821 CaBr2 Calcium dibromide cabr2  
822 CaF2 Calcium difluoride caf2  
823 FCO Carbonyl fluoride fco  
824 FCO+ Carbonyl fluoride cation fco+  
825 ClCO carbonyl monochloride clco  
826 BF2 Boron difluoride radical bf2  
827 FNO Nitrosyl fluoride fno  
828 ClNO Nitrosyl chloride clno  
829 FNS Thionitrosyl fluoride fns  
830 FSN Thiazyl fluoride fsn  
831 OPCl Phosphorus oxychloride opcl  
832 BrNO Nitrosyl bromide brno  
833 INO Nitrosyl iodide ino  
834 CF2 Difluoromethylene cf2  
835 CFCl chlorofluoromethylene cfcl  
836 SiF2 Silicon difluoride sif2  
837 SiF2+ Silicon difluoride cation sif2+  
838 CCl2 dichloromethylene ccl2  
839 CCl2- dichloromethylene anion ccl2-  
840 SiCl2 Dichlorosilylene sicl2  
841 GeF2 Germanium difluoride gef2  
842 GeCl2 Germanium dichloride gecl2  
843 CBr2 dibromomethylene cbr2  
844 FOO Dioxygen monofluoride radical foo  
845 FOO+ Fluorine dioxide cation foo+  
846 ClOO chloroperoxy radical cloo  
847 OClO Chlorine dioxide oclo  
848 OClO- Chlorine dioxide anion oclo-  
849 ClSO Sulfur chloride oxide clso  
850 ClS2 Sulfur chloride cls2  
851 BrOO Bromine dioxide broo  
852 OBrO Bromine dioxide radical obro  
853 NF2 Difluoroamino radical nf2  
854 PF2 Phosphorus difluoride pf2  
855 PF2+ Phosphorus difluoride cation pf2+  
856 FClO chlorosyl fluoride fclo  
857 F2O Difluorine monoxide f2o  
858 ClOF Chlorine hypofluorite clof  
859 SF2 sulfur difluoride sf2  
860 SF2- sulfur difluoride anion sf2-  
861 Cl2O Dichlorine monoxide cl2o  
862 SCl2 Sulfur dichloride scl2  
863 SeF2 Selenium difluoride sef2  
864 BrOCl Bromine hypochlorite brocl  
865 SeCl2 Selenium Dichloride secl2  
866 SBr2 Sulfur dibromide sbr2  
867 SeBr2 Selenium dibromide sebr2  
868 BrOBr Bromine oxide brobr  
869 F3- trifluoride anion f3-  
870 Cl3- trichloride anion cl3-  
871 Br3- tribromide anion br3-  
872 I3- triiodide i3-  
873 SFCl Sulfur chloride fluoride sfcl  
874 HCCF Fluoroacetylene hccf  
875 HCCCl Chloroacetylene hcccl  
876 HCCBr bromoacetylene hccbr  
877 HFCO formyl fluoride hfco  
878 HFCO+ formyl fluoride cation hfco+  
879 COHCl Formyl chloride cohcl  
880 COHBr Formyl bromide cohbr  
881 BHF2 Difluoroborane bhf2  
882 BHCl2 Borane, dichloro- bhcl2  
883 CHCl2 dichloromethyl radical chcl2  
884 CHF2 difluoromethyl radical chf2  
885 CHF2+ difluoromethyl cation chf2+  
886 CHFCl Chlorofluoromethyl radical chfcl  
887 CHFCl+ Chlorofluoromethyl cation chfcl+  
888 CHCl2+ dichloromethyl cation chcl2+  
889 CHBr2 dibromomethyl radical chbr2  
890 HOClO Chlorous acid hoclo  
891 NHF2 difluoramine nhf2  
892 NHCl2 dichloroamine nhcl2  
893 CH2F2 Methane, difluoro- ch2f2  
894 CH2FCl fluorochloromethane ch2fcl  
895 SiH2F2 difluorosilane sih2f2  
896 CH2Cl2 Methylene chloride ch2cl2  
897 CH2BrF Methane, bromofluoro- ch2fbr  
898 CH2BrCl Methane, bromochloro- ch2clbr  
899 CH2FI fluoroiodomethane ch2fi  
900 CH2Br2 dibromomethane ch2br2  
901 CH2ClI chloroiodomethane ch2cli  
902 CH2BrI bromoiodomethane ch2bri  
903 CH2I2 Diiodomethane ch2i2  
904 SiH2Cl2 dichlorosilane sih2cl2  
905 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
906 CH2CHF Ethene, fluoro- ch2chf  
907 CH2CHF+ fluoroethene cation ch2chf+  
908 C2H3Cl Ethene, chloro- ch2chcl  
909 C2H3Br vinyl bromide c2h3br  
910 C2H3I Vinyl iodide c2h3i  
911 CH2FOH fluoromethanol ch2foh  
912 CH3OCl methyl hypochlorite ch3ocl  
913 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
914 CHClCH3 1-chloroethyl radical chclch3  
915 C2H5F fluoroethane c2h5f  
916 CH3CH2Cl Ethyl chloride c2h5cl  
917 CH3SiFH2 fluoromethylsilane ch3sifh2  
918 C2H5Br Ethyl bromide etbr  
919 C2H5I Ethyl iodide c2h5i  
920 KrF2 Krypton difluoride krf2  
921 XeF2 Xenon difluoride xef2  
922 B4H10 Tetraborane(10) b4h10  
923 C4 Carbon tetramer c4  
924 C4H2 Diacetylene c4h2  
925 C4H2+ diacetlyene cation c4h2+  
926 C2H3CCH 1-Buten-3-yne c2h3cch  
927 C4H4 cyclobutadiene cbd  
928 C4H4 Tetrahedrane c4h4  
929 H2CCCCH2 Butatriene h2cccch2  
930 C4H6 1-Methylcyclopropene c3100047  
931 C4H6 Cyclobutene c822355  
932 C4H6 Methylenecyclopropane c6142730  
933 CH2CCHCH3 1,2-Butadiene butad12  
934 CH2CHCHCH2 1,3-Butadiene c106990  
935 CH3CCCH3 2-Butyne c503173  
936 CHCCH2CH3 1-Butyne c107006  
937 CH3CHCHCH2 methylallyl radical c4h7  
938 C4H8 methylcyclopropane mcp  
939 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
940 CH2CHCH2CH3 1-Butene bute1  
941 CH3CHCHCH3 2-Butene, (E)- bute2e  
942 CH3CHCHCH3 2-Butene, (Z)- bute2z  
943 B(CH3)3 trimethylborane bme3  
944 Al(CH3)3 trimethyl aluminum tma  
945 C(CH3)3 Tert-butyl radical tbutyl  
946 CH2CH(CH3)2 Isobutyl radical isobutyl  
947 CH3CHCH2CH3 2-Butyl radical butyl2  
948 CH3CH(CH3)CH3 Isobutane isobutane  
949 CH3CH2CH2CH3 Butane butane  
950 SiH(CH3)3 trimethylsilane trimsi  
951 Li3N trilithium nitride li3n  
952 C2N2 Cyanogen c2n2  
953 P4 Phosphorus tetramer p4  
954 As4 Arsenic tetramer as4  
955 HCCCN Cyanoacetylene hcccn  
956 H2CNCN cyanamide, methylene ch2ncn  
957 HNCCNH Ethenediimine hnccnh  
958 C3H3N acrylonitrile ch2chcn  
959 CH3N3 methyl azide ch3n3  
960 NH2CCNH2 Diaminoacetylene daa  
961 NH2CH2CN Aminoacetonitrile aan  
962 CH3NHN2+ methyl azide, protonated ch3nhn2+  
963 C2H5CN ethyl cyanide c2h5cn  
964 CH5N3 Guanidine guanidine  
965 C4H6 Bicyclo[1.1.0]butane c157335  
966 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
967 H2NCHCHNH2 diaminoethylene dae  
968 CH6N3+ guanidinium ch6n3+  
969 C3H7N Cyclopropylamine cpram  
970 CH7N3 triaminomethane tam  
971 C3H7N Azetidine azet  
972 C4H8 cyclobutane cbutane  
973 C2H8N2 Ethylenediamine ethdiam  
974 CH3NHNHCH3 dimethyl hydrazine dmh  
975 CH3CH(NH2)CH3 2-Propanamine pram2  
976 N(CH3)3 Trimethylamine trimeam  
977 NH2CH2CH2CH3 1-Propanamine pram1  
978 P(CH3)3 trimethylphosphine tmp  
979 N(SiH3)3 trisilylamine tsa  
980 As(CH3)3 trimethyl arsine tmas  
981 (CH3)3NH+ protonated trimethyl amine ptma  
982 C3H7NH3+ n-propylamine, protonated c3h7nh2  
983 Li2O2 dilithium dioxide li2o2  
984 Na2O2 disodium dioxide na2o2  
985 K2O2 dipotassium dioxide k2o2  
986 C3O Tricarbon monoxide c3o  
987 B2O2 Diboron dioxide b2o2  
988 ONNO NO dimer onno  
989 S2N2 Disulfur dinitride s2n2  
990 CO3 Carbon trioxide co3  
991 CO3-- carbonate co3--  
992 CS3-- Carbonotrithioate cs3--  
993 NO3 Nitrogen trioxide no3  
994 NO3- nitrate anion no3-  
995 SO3 Sulfur trioxide so3  
996 SO3-- Sulfate dianion so3--  
997 SeO3 selenium trioxide seo3  
998 S4 Sulfur tetramer s4  
999 TeO3 Tellurium trioxide teo3  
1000 HCO3- bicarbonate anion hco3-  
1001 HNO3 Nitric acid hno3  
1002 HSO3 Hydroxysulfonyl radical hso3  
1003 NH2NO2 nitramide nh2no2  
1004 C2H2CO cyclopropenone c2h2co  
1005 C3H2O Propadienal c3h2o  
1006 HCCCHO 2-propynal hcccho  
1007 C2H2O2 Ethanedial c2h2o2  
1008 C2H2O2+ Ethanedial cation c2h2o2+  
1009 H2CO3 Carbonic acid h2co3  
1010 H2CS3 thiocarbonic acid h2cs3  
1011 H2NO3+ Nitric Acid, Protonated h2no3+  
1012 H2SO3 Sulfurous acid h2so3  
1013 C2H3NO Nitrosoethylene c2h3no  
1014 CH3NCO methylisocyante ch3nco  
1015 HOCH2CN cyanomethanol hoch2cn  
1016 CH3COO- acetate anion ch3coo-  
1017 CH3NO2 Methane, nitro- ch3no2  
1018 CH3ONO Methyl nitrite ch3ono  
1019 NH2COOH Carbamic acid nh2cooh  
1020 H3BO3 Boric acid h3bo3  
1021 H3AlO3 Aluminum hydroxide h3alo3  
1022 H3CO3+ carbonic acid, protonated h3co3+  
1023 C3H4O 2-Propyn-1-ol c107197  
1024 C3H4O allenol c9000071  
1025 C3H4O Cyclopropanone cpone  
1026 C3H4O Methylketene c6004440  
1027 CH2CHCHO Acrolein c3h4o  
1028 NH2CONH2 Urea urea  
1029 NH2CONH2+ Urea cation urea+  
1030 NH2CSNH2 Thiourea thiourea  
1031 C2H4O2 1,3-dioxetane c2h4o2  
1032 CH3COOH Acetic acid ch3cooh  
1033 CH3OCHO methyl formate ch3ocho  
1034 CHOCH2OH hydroxy acetaldehyde haa  
1035 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1036 NH3COOH+ protonated Carbamic acid nh3cooh+  
1037 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1038 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1039 HCOOHH2O Formic acid water dimer hcoohh2o  
1040 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1041 CH3COCH2 Acetonyl radical ch3coch2  
1042 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1043 CH3C(OH)=NH Ethaninidic acid eia  
1044 CH3CHNOH Acetaldoxime acetaldoxime  
1045 CH3CONH2 Acetamide acetamide  
1046 HCONHCH3 N-methylformamide nmfa  
1047 CH3CSNH2 Ethanethioamide ch3csnh2  
1048 CH5N2O+ urea, N-protonated ch4n2o+  
1049 H2NCOHNH2+ urea, protonated ureah+  
1050 C2H5OO ethylperoxy radical c2h5oo  
1051 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1052 C3H5OH Cyclopropanol cproh  
1053 C3H6O 2-Propen-1-ol c107186  
1054 C3H6O Acetone enol enol  
1055 C3H6O Oxetane oxetane  
1056 C3H6O Propylene oxide prox  
1057 CH3CH2CHO Propanal propanal  
1058 CH3COCH3 Acetone acetone  
1059 CH3COCH3- acetone anion ch3coch3-  
1060 C3H6S Thietane thietane  
1061 C3H6S Thiirane, methyl- methiirane  
1062 CH3CSCH3 Thioacetone ch3csch3  
1063 C2H6O2 1,2-Ethanediol ethdiol  
1064 CH3OOCH3 dimethylperoxide dmp  
1065 CH3SOCH3 Dimethyl sulfoxide dmso  
1066 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1067 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1068 CH3COHCH3+ acetone, protonated acetoneh+  
1069 HOCH2CH2NH2 monoethanolamine mea  
1070 C3H7OH 1-Propanol proh  
1071 CH3CHOHCH3 Isopropyl alcohol isoproh  
1072 CH3OC2H5 Ethane, methoxy- etome  
1073 C3H7SH 1-Propanethiol prsh  
1074 CH3CHSHCH3 2-Propanethiol isoprsh  
1075 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1076 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1077 Li2F2 Lithium fluoride dimer li2f2  
1078 Na2F2 Sodium Fluoride Dimer na2f2  
1079 Na2Cl2 Disodium dichloride na2cl2  
1080 C2F2 difluoroacetylene c2f2  
1081 C2Cl2 dichloroacetylene c2cl2  
1082 FNO2 Nitryl fluoride fno2  
1083 FONO Nitrosyl hypofluorite fono  
1084 ClNO2 Nitryl chloride clno2  
1085 ClONO chlorine nitrite clono  
1086 BrONO Bromine nitrite brono  
1087 N2F2 (Z)-Difluorodiazene n2f2_z  
1088 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1089 CF2O Carbonic difluoride f2co  
1090 CF2O+ Carbonic difluoride cation f2co+  
1091 COFCl Carbonic chloride fluoride cofcl  
1092 CCl2O Phosgene cl2co  
1093 Cl2CS Thiophosgene cl2cs  
1094 COBr2 Carbonic dibromide cobr2  
1095 BClF2 Chlorodifluoroborane bclf2  
1096 AlF2Cl Aluminum chloride difluoride alclf2  
1097 ScF3 Scandium trifluoride ScF3  
1098 AlFCl2 Aluminum dichloride fluoride alcl2f  
1099 BCl3 Borane, trichloro- bcl3  
1100 BCl3+ Boron Trichloride cation bcl3+  
1101 GaF3 Gallium trifluoride gaf3  
1102 AlCl3 Aluminum trichloride alcl3  
1103 GaCl3 Gallium trichloride gacl3  
1104 BBr3 Boron tribromide bbr3  
1105 AlBr3 Aluminum Bromide albr3  
1106 ClO3 Chlorine trioxide clo3  
1107 ClO3- chlorate anion clo3-  
1108 BrO3- Bromate anion bro3-  
1109 CF3 Trifluoromethyl radical cf3  
1110 CF2Cl difluorochloromethyl radical cf2cl  
1111 SiF3 Silicon trifluoride radical sif3  
1112 SiF3+ Silicon trifluoride cation sif3+  
1113 CFCl2 dichlorofluoromethyl radical cfcl2  
1114 CCl3 Trichloromethyl radical ccl3  
1115 SiCl3 trichlorosilyl radical sicl3  
1116 CBr3 tribromomethyl radical cbr3  
1117 FOOF Perfluoroperoxide foof  
1118 ClO2F Chloryl fluoride clo2f  
1119 F2SO Thionyl Fluoride f2so  
1120 ClOOCl Dichlorine dioxide cloocl  
1121 FSSF Difluorodisulfane fssf  
1122 S2F2 Thio-thionyl fluoride s2f2  
1123 SOCl2 thionyl chloride socl2  
1124 SSCl2 Thiothionyl chloride sscl2  
1125 SeOCl2 selenium oxychloride seocl2  
1126 NF3 Nitrogen trifluoride nf3  
1127 PF3 Phosphorus trifluoride pf3  
1128 NCl3 nitrogen trichloride ncl3  
1129 AsF3 Arsenic trifluoride asf3  
1130 PCl3 Phosphorus trichloride pcl3  
1131 SbF3 Antimony Trifluoride sbf3  
1132 AsCl3 Arsenous trichloride ascl3  
1133 SbCl3 Antimony Trichloride sbcl3  
1134 NBr3 Nitrogen Tribromide nbr3  
1135 PBr3 Phosphorus tribromide pbr3  
1136 AsBr3 Arsenic tribromide asbr3  
1137 NI3 Nitrogen triiodide ni3  
1138 PI3 Phosphorus triiodide pi3  
1139 ClSSCl Disulfur dichloride s2cl2  
1140 SF3 Sulfur trifluoride sf3  
1141 ClF3 Chlorine trifluoride clf3  
1142 BrF3 Bromine trifluoride brf3  
1143 IF3 iodone trifluoride if3  
1144 HClO3 Chloric Acid hclo3  
1145 CHF3 Methane, trifluoro- chf3  
1146 CHF2Cl difluorochloromethane chf2cl  
1147 SiHF3 trifluorosilane sihf3  
1148 CHFCl2 fluorodichloromethane chfcl2  
1149 CDCl3 trichloromethane-d cdcl3  
1150 CHCl3 Chloroform chcl3  
1151 CHBrF2 Methane, bromodifluoro- chbrf2  
1152 SiHCl3 Trichlorosilane sihcl3  
1153 CHFClBr fluorochlorobromomethane chfclbr  
1154 CHBrCl2 Methane, bromodichloro- chbrcl2  
1155 CHF2I difluoroiodomethane chf2i  
1156 CHBr2F dibromofluoromethane chbr2f  
1157 CHFClI fluorochloroiodomethane chfcli  
1158 CHCl2I dichloroiodomethane chcl2i  
1159 CHClBr2 Methane, dibromochloro- chclbr2  
1160 CHBr3 bromoform chbr3  
1161 CHI3 Iodoform chi3  
1162 NF3H+ protonated nitrogen trifluoride nf3h+  
1163 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1164 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1165 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1166 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1167 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1168 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1169 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1170 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1171 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1172 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1173 C2H2Br2 1,1-dibromoethene c2h2br2  
1174 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1175 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1176 CH2FCHO Fluoroacetaldehyde ch2fcho  
1177 CH3COF Acetyl fluoride ch3cof  
1178 CH2ClCHO chloroacetaldehyde ch2clcho  
1179 CH3COCl Acetyl Chloride ch3cocl  
1180 C2H4F2 1,2-difluoroethane c2h4f2  
1181 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1182 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1183 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1184 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1185 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1186 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1187 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1188 CH2CFCH3 2-fluoropropene 2fpro  
1189 CH2CHCH2F Allyl Fluoride allylf  
1190 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1191 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1192 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1193 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1194 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1195 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1196 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1197 CH2FCH2CH3 1-Fluoropropane prf1  
1198 CH3CHFCH3 2-Fluoropropane prf2  
1199 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1200 CH3CHClCH3 Propane, 2-chloro- prcl2  
1201 CH3CH2CH2Br n-propyl bromide prbr  
1202 CH3CHBrCH3 i-propyl bromide iprbr  
1203 C3H9O+ trimethyl oxonium cation c3h9o+  
1204 B5H9 pentaborane9 b5h9  
1205 C5H4 pentatetraene ptrene  
1206 C5H5 cyclopentadienyl radical c5h5  
1207 C5H5- cylopentadienyl anion c5h5-  
1208 C5H6 1,3-Cyclopentadiene c542927  
1209 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1210 C5H6 3-Penten-1-yne, (E)- c2004695  
1211 C5H6 3-Penten-1-yne, (Z)- c1574409  
1212 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1213 C5H6 Cyclopropylacetylene c6746947  
1214 C5H6 Propellane propellane  
1215 C5H7 1,3-pentadienyl radical pdyl  
1216 C5H7 cyclopentenyl radical cpyl  
1217 C5H8 1,2-Butadiene, 3-methyl- c598254  
1218 C5H8 1,2-Pentadiene c591957  
1219 C5H8 1,3-Butadiene, 2-methyl- c78795  
1220 C5H8 1,3-Pentadiene, (E)- c2004708  
1221 C5H8 1,3-Pentadiene, (Z)- c1574410  
1222 C5H8 1,4-Pentadiene c591935  
1223 C5H8 1-pentyne a1pentyne  
1224 C5H8 2,3-Pentadiene c591968  
1225 C5H8 Bicyclo[1.1.1]pentane bcp  
1226 C5H8 Cyclobutane, methylene- c1120565  
1227 C5H8 Cyclopentene c142290  
1228 C5H8 Ethenylcyclopropane c693867  
1229 CH3CCCH2CH3 2-Pentyne 2pentyne  
1230 C5H10 1-Butene, 2-methyl- c563462  
1231 C5H10 2-Butene, 2-methyl- c513359  
1232 C5H10 2-Pentene, (E)- c646048  
1233 C5H10 2-Pentene, (Z)- c627203  
1234 C5H10 Cyclopentane c287923  
1235 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1236 CH2CHCH2CH2CH3 1-pentene pentene  
1237 C5H11 2-Methylbut-2-yl radical c4348350  
1238 C5H12 Butane, 2-methyl- buta2  
1239 C5H12 Pentane pentane  
1240 C5H12 Propane, 2,2-dimethyl- neopentane  
1241 Si(CH3)4 tetramethylsilane tms  
1242 N2O3 Dinitrogen trioxide n2o3  
1243 C3H2N2 Malononitrile c3h2n2  
1244 CH2N4 1H-Tetrazole 1htz  
1245 C3H3N2 imidazolyl radical im  
1246 C3H3N2- imidizolyl anion im-  
1247 C2H3N3 1H-1,2,4-Triazole c288880  
1248 C4H4N pyrrolide radical c4h4n  
1249 C4H4N- pyrrolide anion c4h4n-  
1250 C3H4N2 1H-Imidazole 1himidaz  
1251 C3H4N2 1H-Pyrazole 1hpyraz  
1252 C3H4N2 2H-Imidazole imid2h  
1253 C3H4N2 4H-Imidazole imid4h  
1254 C4H5N (E)-2-Butenenitrile c627269  
1255 C4H5N (Z)-2-Butenenitrile c1190767  
1256 C4H5N 2H-pyrrole pyrrole2  
1257 C4H5N 3H-pyrrole pyrrole3  
1258 C4H5N Cyclopropanecarbonitrile c5500210  
1259 C4H5N Pyrrole pyrrole  
1260 CH2CHCH2CN Allylcyanide ch2chch2cn  
1261 C4H6N+ pyrrole, alpha-protonated appyr  
1262 C4H6N+ pyrrole, beta-protonated bppyr  
1263 C4H6N+ pyrrole, protonated ppyr  
1264 C3H6N2 3-Aminopropionitrile c151188  
1265 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1266 CH3CH2CH2CN Butanenitrile c109740  
1267 C5H8 Bicyclo[2.1.0]pentane c185944  
1268 C5H8 Spiropentane c157404  
1269 C4H9N Cyclobutylamine cbam  
1270 C4H9N Pyrrolidine pyrrolidine  
1271 C3H10N2 1,2-Diaminopropane diampr12  
1272 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1273 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1274 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1275 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1276 NH(C2H5)2 diethylamine dea  
1277 NC4H12+ tetramethyl ammonium cation nc4h12+  
1278 C3O2 Carbon suboxide c3o2  
1279 B2O3 diboron trioxide b2o3  
1280 MgCO3 Magnesium Carbonate mgco3  
1281 BeCO3 Beryllium Carbonate beco3  
1282 CaCO3 Calcium Carbonate caco3  
1283 ONONO Nitrosyl nitrite onono  
1284 PO4--- phosphate po4---  
1285 SO4-- sulfate so4--  
1286 HOONO2 peroxy nitric acid hoono2  
1287 HSO4- bisulfate anion hso4-  
1288 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1289 C3H2O2 Propiolic acid c3h2o2  
1290 CHOCOOH oxo acetic acid oaa  
1291 CHOOCHO diformyl ether choocho  
1292 H2SO4 Sulfuric acid h2so4  
1293 H2SeO4 Selenic acid h2seo4  
1294 C3H3NO Isoxazole isox  
1295 C3H3NO Oxazole oxazole  
1296 C3H3NS Thiazole thiazole  
1297 CH3C(O)OO acetyl peroxy radical ch3coo2  
1298 CH3NO3 Methyl nitrate ch3no3  
1299 H3PO4 Phosphoric Acid h3po4  
1300 C4H4O Furan furan  
1301 C4H4O+ Furan cation furan+  
1302 CH3COCCH 3-butyn-2-one c1423605  
1303 C4H4S Thiophene furans  
1304 C4H4Se selenophene c4h4se  
1305 C3H4O2 β–Propiolactone beta  
1306 C3H4O2 2-Propenoic acid propenoic2  
1307 C3H4O2 Methyl glyoxal megly  
1308 C3H4O2 propanedial propanedial  
1309 C3H4O2 propenalol propenalol  
1310 HOCHCCHOH allenediol aldiol  
1311 C2H4O3 1,2,3-trioxolane c2h4o3  
1312 C2H4O3 trioxolane124 triox  
1313 HOCH2COOH Hydroxyacetic acid hac  
1314 CH2CHCONH2 Acrylamide c79061  
1315 CH3OCH2CN Methoxyacetonitrile c1738369  
1316 CH5N3S Hydrazinecarbothioamide c79196  
1317 H2NCH2COOH Glycine glycine  
1318 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1319 C4H6O cis-2-butenal butenal2c  
1320 C4H6O Cyclobutanone cbutone  
1321 C4H6O Furan, 2,3-dihydro- furan23h  
1322 C4H6O Furan, 2,5-dihydro- furan25h  
1323 CH2CHOCHCH2 Vinyl ether vinylether  
1324 CHOCHCHCH3 2-Butenal butenal2  
1325 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1326 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1327 CH2CHSCHCH2 Divinyl sulfide divis  
1328 C2H6N2O Urea, methyl- c598505  
1329 C3H6O2 1,3-Dioxolane dioxolane  
1330 CH3CH2COOH Propanoic Acid propanoic  
1331 CH3COOCH3 methyl acetate aame  
1332 HCOOC2H5 Ethyl formate faee  
1333 C2H6O2S Dimethyl sulfone c67710  
1334 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1335 C3H7NO dimethylformamide dmf  
1336 C3H7NO Propanamide propanam  
1337 C2H3OC2H5 Ethene, ethoxy- c109922  
1338 C4H8O Cyclobutanol c2919235  
1339 C4H8O Furan, tetrahydro- thf  
1340 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1341 CH3COCH2CH3 2-Butanone buta2one  
1342 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1343 CHOCH2CH2CH3 Butanal butanal  
1344 C4H8S Thiophene, tetrahydro- tht  
1345 C3H8O2 1,3-Propanediol c504632  
1346 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1347 C3H8O2 Methane, dimethoxy- c109875  
1348 C3H8O2 Propylene glycol c57556  
1349 C3H8S2 1,3-Propanedithiol c109808  
1350 C4H10O 1-Butanol butanol1  
1351 C4H10O 1-Propanol, 2-methyl- c78831  
1352 C4H10O 2-Butanol, (.+/-.)- butanol2  
1353 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1354 C4H10O Ethoxy ethane etoet  
1355 C4H10O Methyl propyl ether meopr  
1356 C4H10O Propane, 2-methoxy- c598538  
1357 C4H10O+ 1-Butanol cation butanol1+  
1358 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1359 C2H5SC2H5 Diethyl sulfide etset  
1360 C4H9SH 1-Butanethiol bush  
1361 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1362 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1363 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1364 FNO3 Fluorine nitrate fno3  
1365 ClONO2 Chlorine nitrate clono2  
1366 BrONO2 Bromine nitrate brono2  
1367 TiCl4 Titanium tetrachloride ticl4  
1368 ClO4- perchlorate anion clo4-  
1369 BF4- tetrafluoroboron anion bf4-  
1370 ClFO3 Perchloryl fluoride clfo3  
1371 SO2F2 Sulfuryl fluoride so2f2  
1372 SO2Cl2 Sulfuryl chloride so2cl2  
1373 F3NO Nitrogen trifluoride oxide f3no  
1374 F3PO Phosphoryl fluoride pf3o  
1375 Cl3PO Phosphoryl chloride pcl3o  
1376 CF4 Carbon tetrafluoride cf4  
1377 CF3Cl Methane, chlorotrifluoro- cf3cl  
1378 SiF4 Silicon tetrafluoride sif4  
1379 CF2Cl2 difluorodichloromethane cf2cl2  
1380 TiF4 Titanium tetrafluoride tif4  
1381 CFCl3 Trichloromonofluoromethane cfcl3  
1382 CF3Br Bromotrifluoromethane cf3br  
1383 GeF4 Germanium tetrafluoride gef4  
1384 CCl4 Carbon tetrachloride ccl4  
1385 CCl4+ Carbon tetrachloride cation ccl4+  
1386 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1387 SiCl4 Silane, tetrachloro- sicl4  
1388 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1389 CF3I trifluoroiodomethane cf3i  
1390 CBrCl3 Methane, bromotrichloro- cbrcl3  
1391 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1392 GeCl4 Germanium Tetrachloride gecl4  
1393 CBr2ClF dibromochlorofluoromethane cbr2clf  
1394 CBr2Cl2 dibromodichloromethane cbr2cl2  
1395 CCl3I trichloroiodomethane ccl3i  
1396 CFBr3 fluorotribromomethane cfbr3  
1397 CFClBrI fluorochlorobromoiodomethane cfclbri  
1398 CBr3Cl tribromochloromethane cbr3cl  
1399 CF2I2 difluorodiiodomethane cf2i2  
1400 CBr4 Carbon tetrabromide cbr4  
1401 CCl2I2 dichlorodiiodomethane ccl2i2  
1402 SiBr4 Silicon tetrabromide sibr4  
1403 CBr3I tribromoiododmethane cbr3i  
1404 GeBr4 Germanium tetrabromide gebr4  
1405 CI4 tetraiodomethane ci4  
1406 SiI4 silicon tetraiodide sii4  
1407 ClOF3 Chlorine trifluoride oxide clof3  
1408 SF4 Sulfur tetrafluoride sf4  
1409 SeF4 Selenium tetrafluoride sef4  
1410 SCl4 Sulfur tetrachloride scl4  
1411 C2HF3 Trifluoroethylene c2hf3  
1412 CHClCCl2 Trichloroethylene chclccl2  
1413 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1414 HClO4 perchloric acid hclo4  
1415 HSO3F Fluorosulfonic acid hso3f  
1416 CF3OH trifluoromethanol cf3oh  
1417 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1418 CHClCCHCl 1,3-dichloroallene chclcchcl  
1419 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1420 CHCl2CHO dichloroacetaldehyde chcl2cho  
1421 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1422 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1423 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1424 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1425 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1426 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1427 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1428 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1429 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1430 NH3BCl3 Amminetrichloroboron nh3bcl3  
1431 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1432 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1433 C3H5ClO Oxirane, (chloromethyl)- c106898  
1434 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1435 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1436 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1437 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1438 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1439 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1440 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1441 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1442 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1443 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1444 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1445 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1446 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1447 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1448 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1449 C4H9F 1-fluorobutane butaf1  
1450 CH3CHFCH2CH3 2-fluorobutane butaf2  
1451 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1452 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1453 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1454 XeF4 Xenon tetrafluoride xef4  
1455 C2H2N2O Furazan furazan  
1456 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1457 NH3BF3 Amminetrifluoroboron nh3bf3  
1458 C6H2 hexatriyne c6h2  
1459 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1460 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1461 C6H4 Benzyne benzyne  
1462 C6H5 phenyl phenyl  
1463 C6H5- phenyl anion phenyl-  
1464 C6H6 Prismane prismane  
1465 C6H6 1,2,4,5-Hexatetraene ht1245  
1466 C6H6 2,4-Hexadiyne hexadiyne  
1467 C6H6 3,4-Dimethylenecyclobutene cb34m  
1468 C6H6 Benzene benzene  
1469 C6H6 Benzvalene bv  
1470 C6H6 Dewar Benzene dewar  
1471 C6H6 Hexa-1,5-diene-3-yne hdy153  
1472 C6H6 Trimethylenecycopropane tmcp  
1473 C6H6+ Benzene cation c6h6+  
1474 C6H7+ benzene, protonated c6h7+  
1475 C6H8 (E)-hexa-1,3,5-triene c821078  
1476 C6H8 (E)-hexa-2,3,4-triene c59660650  
1477 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1478 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1479 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1480 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1481 C6H8 3-Methylenecyclopentene c930267  
1482 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1483 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1484 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1485 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1486 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1487 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1488 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1489 C6H10 1,5-Hexadiene c592427  
1490 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1491 C6H10 1-Hexyne hexyne1  
1492 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1493 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1494 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1495 C6H10 2-Hexyne c764352  
1496 C6H10 3-Hexyne hexyne3  
1497 C6H10 cyclohexene cyclohexene  
1498 C6H10 Cyclopentene, 1-methyl- c693890  
1499 C6H10 Cyclopentene, 3-methyl- c1120623  
1500 C6H10 Cyclopentene, 4-methyl- c1759815  
1501 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1502 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1503 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1504 C6H12 (E)-2-Hexene e2hexene  
1505 C6H12 (E)-3-methylpent-2-ene c616126  
1506 C6H12 (E)-hex-3-ene e3hexene  
1507 C6H12 (Z)-3-methylpent-2-ene c922623  
1508 C6H12 (Z)-hex-2-ene z2hexene  
1509 C6H12 (Z)-hex-3-ene z3hexene  
1510 C6H12 2,3-dimethylbut-1-ene c563780  
1511 C6H12 2,3-dimethyl-but-2-ene tmeet  
1512 C6H12 3-methylenepentane c760214  
1513 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1514 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1515 C6H12 Cyclohexane cyclohexane  
1516 C6H12 Cyclopentane, methyl- c96377  
1517 C6H12 Ethylcyclobutane c4806615  
1518 C6H12 hex-1-ene hexene1  
1519 C6H14 Butane, 2,2-dimethyl- buta22  
1520 C6H14 Butane, 2,3-dimethyl- buta23  
1521 C6H14 Hexane hexane  
1522 C6H14 Pentane, 2-methyl- penta2  
1523 C6H14 Pentane, 3-methyl- penta3  
1524 C4N2 2-Butynedinitrile c4n2  
1525 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1526 C4H2N2 Fumaronitrile c4h2n2  
1527 C2H2N4 sym-tetrazine ttz  
1528 C3H3N3 1,3,5-Triazine triazine135  
1529 CH3N5 5-Aminotetrazole c4418615  
1530 C4H4N2 1,3-Diazine diazine13  
1531 C4H4N2 Pyrazine pyrazine  
1532 C4H4N2 Pyridazine pyridazine  
1533 C4H4N2 Succinonitrile c110612  
1534 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1535 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1536 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1537 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1538 C5H5N E-2,4-pentadienenitrile bdcn  
1539 C5H5N Pyridine pyridine  
1540 B3N3H6 borazine borazine  
1541 C6H6 Fulvene fulvene  
1542 C5H6N+ Pyridinium c5h6n  
1543 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1544 C5H7N (E)-2-Pentenenitrile c26294984  
1545 C5H7N (E)-3-Pentenenitrile c16529661  
1546 C5H7N (Z)-2-Pentenenitrile c25899507  
1547 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1548 C5H7N Cyclobutanecarbonitrile c4426113  
1549 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1550 C5H9N Butanenitrile, 2-methyl- c18936179  
1551 C5H9N Pentanenitrile c110598  
1552 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1553 C6H10 Bicyclo[3.1.0]hexane c285585  
1554 C5H11N Cyclopentanamine cypentam  
1555 C5H11N Piperidine piper  
1556 C4H12N2 1,2-Butanediamine c4426486  
1557 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1558 Li2CO3 Lithium Carbonate li2co3  
1559 Na2CO3 Sodium Carbonate na2co3  
1560 C2O4-- oxalate anion c2o4  
1561 MgSO4 Magnesium Sulfate mgso4  
1562 N2O4 Dinitrogen tetroxide n2o4  
1563 C3H2O3 vinylene carbonate vica  
1564 C2H2O4 Oxalic Acid oxalic  
1565 C2H3NO3 Oxamic acid oxamic  
1566 C4H4O2 2(5H)-Furanone furanone  
1567 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1568 C2H4N2O2 Oxalamide oxalamide  
1569 C2H4N2S2 Ethanedithioamide c79403  
1570 C2H4CO3 Ethylene carbonate etco3  
1571 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1572 C3H4S3 1,3-Dithiolane-2-thione c822388  
1573 C2H4O4 Formic acid dimer fadimer  
1574 C4H5NO 3-Methylisoxazole isox3m  
1575 C4H5NO Isoxazole, 5-methyl- c5765446  
1576 C4H5NS 4-Methylthiazole c693958  
1577 C2H5NO3 Nitric acid, ethyl ester c625581  
1578 C5H6O 2H-Pyran pyran2  
1579 C5H6O 2-methylfuran furan2m  
1580 C5H6O 3-Methylfuran furan3m  
1581 C5H6O Pentadienal pdal  
1582 C5H6S Thiophene, 2-methyl- c554143  
1583 C5H6S Thiophene, 3-methyl- c616444  
1584 C4H6O2 γ–Butyrolactone c96480  
1585 C4H6O2 2,3-Butanedione c431038  
1586 C4H6O2 2-Propenoic acid, methyl ester c96333  
1587 C4H6O2 Crotonic Acid crot  
1588 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1589 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1590 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1591 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1592 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1593 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1594 C4H6OS Vinyl sulfoxide c1115157  
1595 CH6N4S Carbonothioic dihydrazide thiacarb  
1596 C2H6N2O2 (E)-Azodioxymethane c37765154  
1597 C2H6N2O2 Dimethylnitroamine c4164287  
1598 C3H6O3 1,3,5-Trioxane trioxane  
1599 C3H6S3 1,3,5-Trithiane c3h6s3  
1600 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1601 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1602 C4H7NO 2-Pyrrolidinone c616455  
1603 C4H7NO Ethoxyacetonitrile etoaccn  
1604 C4H7NO Methacrylamide c79390  
1605 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1606 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1607 C3H7ONO Propyl nitrite prono  
1608 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1609 CH3CH(NH2)COOH Alanine alanine  
1610 CH3NHCH2COOH Sarcosine sarcosine  
1611 NH2CH2CH2COOH β–alanine betaalanine  
1612 NH2COOC2H5 Urethane urethane  
1613 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1614 C5H8O Cyclopentanone c120923  
1615 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1616 C5H8O Methyl cyclopropyl ketone c765435  
1617 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1618 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1619 NH2CONHC2H5 Urea, ethyl- c625525  
1620 C4H8O2 1,3-Dioxane dioxan13  
1621 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1622 C4H8O2 1,4-Dioxane dioxan14  
1623 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1624 C4H8O2 Ethyl acetate c141786  
1625 C4H8OS s-Ethyl thioacetate c625605  
1626 C3H8O3 1,2,3-Propanetriol glycerin  
1627 C3H8O2S (Methylsulfonyl)ethane c594434  
1628 C4H9NO Butanamide c541355  
1629 C4H9NO Propanamide, 2-methyl- c563837  
1630 C5H10O 2-Butanone, 3-methyl- c563804  
1631 C5H10O 2H-Pyran, tetrahydro- c142687  
1632 C5H10O 2-methylbutyraldehyde 2meba  
1633 C5H10O 2-Pentanone mpk  
1634 C5H10O 3-Pentanone dek  
1635 C5H10O Cyclopentanol c96413  
1636 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1637 C5H10O Pentanal pal  
1638 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1639 C5H10S 3-Ethylthio-1-propene c5296628  
1640 C5H10S Cyclopentanethiol c1679078  
1641 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1642 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1643 C4H10O2 1,1-Dimethoxyethane c534156  
1644 C4H10O2 1,3-Butanediol budiol13  
1645 C4H10O2 1,4-Butanediol budiol14  
1646 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1647 C4H10OS Diethyl sulfoxide c70291  
1648 C4H10S2 1,4-Butanedithiol budisl14  
1649 C4H11NO Diethylhydroxylamine c3710847  
1650 C5H12O 1-Butanol, 2-methyl- c137326  
1651 C5H12O 1-Butanol, 3-methyl- c123513  
1652 C5H12O 1-Pentanol pentanol1  
1653 C5H12O 2-Butanol, 3-methyl- c598754  
1654 C5H12O 2-Pentanol peol2  
1655 C5H12O 3-Pentanol pentan3ol  
1656 C5H12O Butane, 1-methoxy- meobu  
1657 C5H12O Propane, 1-ethoxy- proet  
1658 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1659 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1660 C5H12S 1-Butanethiol, 3-methyl- c541311  
1661 C5H12S 1-Pentanethiol c110667  
1662 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1663 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1664 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1665 C5H12S Butane, 1-(methylthio)- c628295  
1666 C5H12S Ethyl propyl sulfide c4110503  
1667 C5H12S Propane, 2-(ethylthio)- c5145993  
1668 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1669 C4F2 difluorobutadiyne c4f2  
1670 ClCOClCO Oxalyl chloride oxcl  
1671 CF3CN Acetonitrile, trifluoro- cf3cn  
1672 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1673 B2F4 Diboron tetrafluoride b2f4  
1674 B2Cl4 Diboron tetrachloride b2cl4  
1675 C2F4 Tetrafluoroethylene c2f4  
1676 C2F4+ Tetrafluoroethylene cation c2f4+  
1677 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1678 CF2CCl2 difluorodichloroethylene cf2ccl2  
1679 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1680 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1681 C2FCl3 fluorotrichloroethene c2fcl3  
1682 C2Cl4 Tetrachloroethylene c2cl4  
1683 C2Br4 tetrabromoethene c2br4  
1684 CF3OF Trifluoromethylhypofluorite cf3of  
1685 SiF5- silicon pentafluoride anion sif5-  
1686 SOF4 Sulfur tetrafluoride oxide sof4  
1687 PF5 Phosphorus pentafluoride pf5  
1688 AsF5 Arsenic pentafluoride asf5  
1689 PCl5 Phosphorus pentachloride pcl5  
1690 SF5 Sulfur pentafluoride sf5  
1691 SF5+ pentafluoro sulfur cation sf5+  
1692 SbCl5 Antimony pentachloride sbcl5  
1693 BrF5 bromine pentafluoride brf5  
1694 ClF5 chlorinepentafluoride clf5  
1695 IF5 pentafluoroiodine if5  
1696 CF3CHO trifluoroacetaldehyde cf3cho  
1697 CCl3CHO trichloroacetaldehyde ccl3cho  
1698 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1699 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1700 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1701 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1702 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1703 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1704 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1705 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1706 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1707 CF3COOH trifluoroacetic acid cf3cooh  
1708 C4H3ClO Furan, 2-chloro fur2cl  
1709 C4H3ClO Furan,3-chloro fur3cl  
1710 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1711 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1712 C4H8Cl2 1,4-Dichlorobutane c110565  
1713 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1714 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1715 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1716 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1717 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1718 C5H11Cl Pentane, 1-chloro- pencl1  
1719 C4H8O2 Butanoic acid bua  
1720 C6H5CH2 benzyl radical benzyl  
1721 C7H7 cycloheptatrienyl radical c7h7  
1722 C7H7+ cycloheptatrienyl cation c7h7+  
1723 C6H5CH3 toluene toluene  
1724 C7H8 cycloheptatriene cht  
1725 C7H8 Norbornadiene norbor  
1726 C7H8 Quadricyclane qucy  
1727 C7H12 Norbornane nor  
1728 C7H14 cycloheptane c7h14  
1729 C7H16 2-methylhexane 2mhex  
1730 C7H16 3-methylhexane hex3m  
1731 C7H16 heptane heptane  
1732 CH(CN)3 tricyanomethane mecn3  
1733 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1734 C6H7N 2-Methylpyridine mp  
1735 C6H5NH2 aniline aniline  
1736 C6H13N 2-Methylpiperidine pip2m  
1737 C6H13N cyclohexanamine cham  
1738 C6H15N triethylamine tea  
1739 N2O5 Dinitrogen pentoxide n2o5  
1740 C4H2O3 Maleic Anhydride malan  
1741 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1742 C5H4O2 furfural furfural  
1743 C6H5O phenoxy radical phenoxy  
1744 C5H5NO 2(1H)-Pyridinone c72762006  
1745 C5H5NO 2(3H)-Pyridinone c9000048  
1746 C5H5NO 2(5H)-Pyridinone c9000037  
1747 C5H5NO 2-Pyridinol c109104  
1748 C5H5NO 3(2H)-Pyridinone c9000004  
1749 C5H5NO 3(4H)-Pyridinone c9000026  
1750 C5H5NO 3(6H)-Pyridinone c9000015  
1751 C5H5NO 3-Pyridinol c109002  
1752 C5H5NO 4(1H)-Pryidinone c9000060  
1753 C5H5NO 4(3H)-Pryidinone c9000059  
1754 C5H5NO 4-Pyridinol c626642  
1755 C6H5OH phenol phenol  
1756 C6H6O 2,4-Cyclohexadienone c24599573  
1757 C6H6O 2,5-Cyclohexadienone c5664335  
1758 C6H5SH Benzenethiol phsh  
1759 HO2CCHNH2CH2OH Serine serine  
1760 C5H8O2 Acetylacetone acac  
1761 C4H8O2S Sulfolane sulfolane  
1762 C7H10 Norbornene norbornene  
1763 CH(C2H3)3 trivinyl methane tvm  
1764 C6H10O cyclohexanone chexo  
1765 C6H12O hexanal c6h12o  
1766 C6H12O Oxepane oxepane  
1767 C3H7OC3H7 di-n-propyl ether propr  
1768 F2CCCF2 tetrafluoroallene pfa  
1769 CF3COO- trifluoro acetate anion cf3coo-  
1770 CF3COF trifluoroacetyl fluoride cf3cof  
1771 CF3COCl trifluoroacetyl chloride cf3cocl  
1772 PF6 Hexafluorophosphate neutral pf6  
1773 PF6- Hexafluorophosphate ion pf6-  
1774 SF6 Sulfur Hexafluoride sf6  
1775 SeF6 Selenium hexafluoride sef6  
1776 SF5Cl sulfur chloropentafluoride sf5cl  
1777 CF3CHF2 pentafluoroethane cf3chf2  
1778 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1779 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1780 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1781 CCl3CHCl2 pentachloroethane ccl3chcl2  
1782 C6H5F Fluorobenzene bzf  
1783 C6H5Cl chlorobenzene bzcl  
1784 C6H5Br bromobenzene bzbr  
1785 C8H6 Calicene calicene  
1786 C6H5CCH phenylacetylene phac  
1787 C8H6 benzocyclobutadiene bcbd  
1788 C8H6 Pentalene pentalene  
1789 C6H5CHCH2 Styrene styrene  
1790 C8H8 cubane cubane  
1791 C8H8 cyclooctatetraene cot  
1792 C6H5CH2CH3 Ethylbenzene etbz  
1793 CH3C6H4CH3 meta-xylene mxylene  
1794 CH3C6H4CH3 paraxylene pxylene  
1795 C8H14 Bicyclo[2.2.2]octane bico222  
1796 C8H16 cyclooctane cyclooct  
1797 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1798 C8H18 Octane c8h18  
1799 C6H5CN phenyl cyanide phcn  
1800 C6H12N2 Triethylenediamine ted  
1801 C4O4-- squarate dianion c4o4--  
1802 S4N4 Tetrasulfur tetranitride s4n4  
1803 S8 Octasulfur s8  
1804 C6H4O2 parabenzoquinone pbq  
1805 C4H4N2O2 Uracil uracil  
1806 C6H5CHO benzaldehyde benzal  
1807 C6H5OCH3 Anisole anisole  
1808 C5H9NO2 Proline proline  
1809 C4F4 tetrafluorcyclobutadiene c4f4  
1810 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1811 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1812 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1813 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1814 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1815 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1816 C2F6 hexafluoroethane c2f6  
1817 C2Cl6 hexachloroethane c2cl6  
1818 IF7 Iodine heptafluoride if7  
1819 C6H4F2 metadifluorobenzene mdfb  
1820 C6H4F2 orthodifluorobenzene odfb  
1821 C6H4F2 1,4-difluorobenzene pdfb  
1822 C6H4Cl2 1,2-dichlorobenzene dcb12  
1823 C6H4Cl2 1,3-dichlorobenzene dcb13  
1824 C6H4Cl2 1,4-dichlorobenzene dcb14  
1825 C6H5NO nitrosobenzene bzno  
1826 C9H8 Indene indene  
1827 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1828 C9H12 n-propyl benzene prbz  
1829 C9H20 Nonane nonane  
1830 C(CN)4 tetracyanomethane c5n4  
1831 C5H4N4 purine purine  
1832 C8H7N Indole indole  
1833 C3H3N3O3 cyanuric acid cyanuric  
1834 C6H5NO2 Nitrobenzene c6h5no2  
1835 C6H5COOH benzoic acid benzo  
1836 CH3COC6H5 acetophenone acph  
1837 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1838 C3F6 hexafluoropropene c3f6  
1839 C6H3F3 Benzene trifluoride 123 bzf3a  
1840 C8H18O 1-Octanol octanol  
1841 C10H8 Azulene azu  
1842 C10H8 naphthalene naph  
1843 C10H10 bullvalene bullv  
1844 C10H16 adamantane adamantane  
1845 C6N4 Tetracyanoethylene tcne  
1846 C6N4- tetracyanoethylene anion tcne-  
1847 C10H22 Decane decane  
1848 C4F6 perfluorobutadiene c4f6  
1849 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1850 C3F8 perfluoropropane c3f8  
1851 Fe(CO)5 Iron pentacarbonyl ipc  
1852 Fe(C5H5)2 ferrocene fecp2  
1853 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1854 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1855 C12H8 Acenaphthylene acenaph  
1856 C12H8 biphenylene biph  
1857 C12H10 biphenyl biphenyl  
1858 C12H10 Heptalene heptalene  
1859 C6H12O6 Inositol inositol  
1860 C6F6 hexafluorobenzene c6f6  
1861 S2F10 disulphur decafluoride s2f10  
1862 C13H10 Fluorene fluorene  
1863 C14H10 Anthracene anth  
1864 C14H10 Phenanthrene phenanthrene  
1865 C14H14 Bibenzyl bibenzyl  
1866 C12H10N2 azobenzene azobenzene  
1867 C6H5COC6H5 benzophenone benzophenone  
1868 C16H10 Pyrene pyrene  
1869 C18H12 Tetracene tetracene  
1870 C19H16 Triphenylmethane tpm  
1871 C24H12 Coronene coronene  
1872 C60 Buckminsterfullerene c60