return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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List of which calculations are completed at PBEPBE /cc-pVQZ

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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 He2+ helium diatomic cation 2ΣuD∞h
7 Li Lithium atom 2SKh
8 Li+ Lithium atom cation 1SKh
9 Na Sodium atom 2SKh
10 Na+ Sodium atom cation 1SKh
11 LiH Lithium Hydride 1ΣC∞v
12 LiH- lithium hydride anion 2ΣC∞v
13 LiH+ lithium hydride cation 2ΣC∞v
14 NaH- sodium hydride anion 2ΣC∞v
15 NaH+ sodium hydride cation 2ΣC∞v
16 Be Beryllium atom 1SKh
17 Be+ Beryllium atom cation 2SKh
18 Mg Magnesium atom 1SKh
19 Mg+ Magnesium atom cation 2SKh
20 BeH- berylium monohydride anion 1ΣC∞v
21 BeH+ beryllium monohydride cation 1ΣC∞v
22 MgH- magnesium monohydride anion 1ΣC∞v
23 MgH+ magnesium monohydride cation 1ΣC∞v
24 B Boron atom 2PKh
25 B Boron atom 4PKh
26 B+ Boron atom cation 1SKh
27 Al Aluminum atom 2PKh
28 Al+ Aluminum atom cation 1SKh
29 BH- boron monohydride anion 2ΠC∞v
30 BH+ boron monohydride cation 2ΣC∞v
31 AlH- aluminum monohydride anion 2ΠC∞v
32 AlH+ aluminum monohydride cation 2ΣC∞v
33 AlH2- aluminum dihydride anion 1A1C2v
34 AlH2+ aluminum dihydride cation 1ΣgD∞h
35 BH3- boron trihydride anion 2A2"D3h
36 BH3+ boron trihydride cation 2B2C2v
37 AlH3- aluminum trihydride anion 2A2"D3h
38 C Carbon atom 3P0Kh
39 C Carbon atom 3P1Kh
40 C+ Carbon atom cation 2PKh
41 Si Silicon atom 3PKh
42 Si Silicon atom 1SKh
43 Si+ Silicon atom cation 2PKh
44 CH Methylidyne 4Σ-C∞v
45 CH- methylidyne anion 3ΣC∞v
46 CH+ Methylidyne cation 1ΣC∞v
47 SiH- silicon monohydride anion 3ΣC∞v
48 SiH+ silicon monohydride cation 1ΣC∞v
49 CH2 Methylene 1A1C2v
50 CH2- methylene anion 2B1C2v
51 CH2+ methylene cation 2A1C2v
52 SiH2- silicon dihydride anion 2B1C2v
53 SiH2+ silicon dihydride cation 2A1C2v
54 CH3- methyl anion 1A1C3v
55 CH3+ methyl cation 1A1'D3h
56 SiH3- Silyl anion 1A1C3v
57 SiH3+ Silyl cation 1A1'D3h
58 CH4 Methane 1A1Td
59 CH4+ Methane cation 2B1C2v
60 CH4+ Methane cation 2T2Td
61 CH4+ Methane cation 2B2D2d
62 N Nitrogen atom 4SKh
63 N Nitrogen atom 2DKh
64 N+ Nitrogen atom cation 3PKh
65 P Phosphorus atom 4SKh
66 NH Imidogen 1Σ+C∞v
67 NH- Imidogen anion 2ΠC∞v
68 NH+ imidogen cation 2ΠC∞v
69 PH phosphorus monohydride 1ΔC∞v
70 PH- phosphorus monohydride anion 2ΠC∞v
71 PH+ phosphorus monohydride cation 2ΠC∞v
72 NH2- amino anion 1A1C2v
73 PH2- Phosphino anion 1A1C2v
74 PH2+ Phosphino cation 1A1C2v
75 NH3 Ammonia 1A1C3v
76 PH3+ Phosphine cation 2A1C3v
77 PH4+ phosphonium cation   
78 O Oxygen atom 3SKh
79 O+ Oxygen atom cation 4SKh
80 S Sulfur atom 3PKh
81 OH Hydroxyl radical 2ΠC∞v
82 OH- hydroxide anion 1ΣC∞v
83 OH+ hydoxyl cation 3ΣC∞v
84 OH+ hydoxyl cation 1ΣC∞v
85 HS- mercapto anion 1ΣC∞v
86 HS+ sulfur monohydride cation 3ΣC∞v
87 HSe- selenium monohydride anion 1ΣC∞v
88 HSe+ selenium monohydride cation 3ΣC∞v
89 HSe+ selenium monohydride cation 1ΣC∞v
90 H2O Water 1A1C2v
91 H2O- water anion 2A1C2v
92 H2O+ water cation 2B1C2v
93 H2S+ Hydrogen sulfide cation 2B1C2v
94 H2Se+ Hydrogen selenide cation 2B1C2v
95 H3O+ hydronium cation 1A1C3v
96 F Fluorine atom 2PKh
97 F+ Fluorine atom cation 3SKh
98 Cl Chlorine atom 2PKh
99 Cl+ Chlorine atom cation 3PKh
100 HF Hydrogen fluoride 1ΣC∞v
101 HF- hydrogen fluoride anion 2ΣC∞v
102 HF+ hydrogen fluoride cation 2ΠC∞v
103 HCl Hydrogen chloride 1ΣC∞v
104 HCl+ hydrogen chloride cation 2ΠC∞v
105 HBr- hydrogen bromide anion 2ΣC∞v
106 HBr+ hydrogen bromide cation 2ΠC∞v
107 H2Cl+ dihydrogen monochloride cation 1A1C2v
108 Ne Neon atom 1SKh
109 Ne+ Neon atom cation 2PKh
110 Ar Argon atom 1SKh
111 NeH+ neon hydrogen cation 1ΣC∞v
112 ArH+ Argon hydride cation 1ΣC∞v
113 Li2- lithium diatomic anion 2ΣuD∞h
114 Li2+ lithium diatomic cation 2ΣgD∞h
115 NaLi- lithium sodium anion 2ΣC∞v
116 NaLi+ lithium sodium cation 2ΣC∞v
117 Na2 Sodium diatomic 1ΣgD∞h
118 Na2- sodium diatomic anion 2ΣuD∞h
119 Na2+ sodium diatomic cation 2ΣgD∞h
120 Be2- Beryllium diatomic anion 2ΠuD∞h
121 Be2+ Beryllium diatomic cation 2ΣuD∞h
122 Mg2- magnesium diatomic anion 2ΠUD∞h
123 Mg2+ magnesium diatomic cation 2ΣuD∞h
124 B2 Boron diatomic 1ΣgD∞h
125 B2 Boron diatomic 5ΣuD∞h
126 B2- Boron diatomic anion 4ΣgD∞h
127 B2+ Boron diatomic cation 2ΠD∞h
128 Al2 Aluminum diatomic 1ΣgD∞h
129 BC boron monocarbide 2ΠC∞v
130 BC- boron monocarbide anion 3ΠuC∞v
131 BC- boron monocarbide anion 1Σg+C∞v
132 BC+ boron monocarbide cation 3ΣC∞v
133 BC+ boron monocarbide cation 1ΣC∞v
134 C2 Carbon diatomic 3ΠuD∞h
135 C2- carbon diatomic anion 2ΣgD∞h
136 C2+ carbon diatomic cation 2ΠD∞h
137 SiC silicon monocarbide 3ΣC∞v
138 SiC silicon monocarbide 1ΣC∞v
139 SiC- silicon monocarbide anion 2ΣgC∞v
140 SiC+ silicon monocarbide cation 2ΠC∞v
141 Si2 Silicon diatomic 1ΣgD∞h
142 Si2- silcon diatomic anion 2ΣgD∞h
143 Si2+ silcon diatomic cation 2ΠD∞h
144 C2H- Ethynyl anion 1ΣC∞v
145 C2H+ Ethynyl cation 3ΠC∞v
146 C2H+ Ethynyl cation 1ΣC∞v
147 C2H2 Acetylene 1ΣgD∞h
148 C2H3+ vinyl cation 1A1C2V bridging H
149 C2H4 Ethylene 1AgD2h
150 C2H4- Ethylene anion 2B2gD2h
151 C2H4+ Ethylene cation 2B3uD2h
152 CH3CH methylmethylene 3A"Cs
153 C2H6 Ethane 1A1gD3d
154 LiN Lithium Nitride 1ΣC∞v
155 BeN- Beryllium mononitride anion 1ΣC∞v
156 BN- boron nitride anion 2ΣC∞v
157 AlN- aluminum mononitride anion 2ΣC∞v
158 AlN+ aluminum mononitride cation 2ΠC∞v
159 BN boron nitride 1ΣC∞v
160 BN+ boron nitride cation 2ΠC∞v
161 AlN Aluminum nitride 1ΣC∞v
162 CN- cyanide anion 1ΣC∞v
163 CN+ Cyano cation 1ΣC∞v
164 CP- carbon monophosphide anion 1ΣC∞v
165 CP+ carbon monophosphide cation 1ΣC∞v
166 SiN- silicon mononitride anion 1ΣC∞v
167 SiN+ silicon mononitride cation 3ΠC∞v
168 SiP Silicon monophosphide 2ΠC∞v
169 SiP- Silicon monophosphide anion 1ΣC∞v
170 SiP+ Silicon monophosphide cation 3ΣC∞v
171 SiP+ Silicon monophosphide cation 1ΣC∞v
172 N2 Nitrogen diatomic 1ΣgD∞h
173 N2- nitrogen diatomic anion 2ΠgD∞h
174 PN- phosphorus nitride anion 2ΠC∞v
175 PN+ phosphorus nitride cation 2ΠC∞v
176 P2- phosphorus diatomic anion 2ΠgD∞h
177 P2+ phosphorus diatomic cation 2ΠUD∞h
178 HCN- Hydrogen cyanide anion 2A'Cs
179 HCN+ hydrogen cyanide cation 2ΠC∞v
180 HPO+ Hydrogen phosphorus oxide cation 2A'Cs
181 H2CN+ hydrocyanonium cation 1A1C2v
182 CH3NH3+ protonated methylamine 1A1C3v
183 LiO- lithium oxide anion 1ΣC∞v
184 LiO- lithium oxide anion 3ΣC∞v
185 LiO+ lithium oxide cation 3ΣC∞v
186 LiO+ lithium oxide cation 1ΣC∞v
187 NaO- sodium oxide anion 1ΣC∞v
188 NaO+ sodium oxide cation 3ΣC∞v
189 BeO- Beryllium monoxide anion 2ΣC∞v
190 BeO+ Beryllium monoxide cation 2ΠC∞v
191 MgO- magnesium oxide anion 2ΣC∞v
192 MgO+ magnesium oxide cation 2ΠC∞v
193 MgS- magnesium sulfide anion 2ΣC∞v
194 MgS+ magnesium sulfide cation 2ΠC∞v
195 BO- boron monoxide anion 1ΣC∞v
196 AlO- Aluminum monoxide anion 1ΣC∞v
197 AlO+ aluminum monoxide cation 1ΣC∞v
198 BS- boron monosulfide anion 1ΣC∞v
199 BS+ boron monosulfide cation 1ΣC∞v
200 AlS- aluminum monosulfide anion 1ΣC∞v
201 BO+ boron monoxide cation 1ΣC∞v
202 CO Carbon monoxide 1ΣC∞v
203 CO- carbon monoxide anion 2ΠC∞v
204 CO+ carbon monoxide cation 2ΣC∞v
205 CS- carbon monosulfide anion 2ΠC∞v
206 SiO- silicon monoxide anion 2ΠC∞v
207 SiO+ silicon monoxide cation 2ΣC∞v
208 SiS- silicon monosulfide anion 2ΠC∞v
209 SiS+ silicon monosulfide cation 2ΣC∞v
210 CSe+ Carbon monoselenide cation 2ΣC∞v
211 NO Nitric oxide 2ΠC∞v
212 NO- nitric oxide anion 1ΔC∞v
213 NO+ nitric oxide cation 1ΣC∞v
214 NS- nitrogen sulfide anion 3ΣC∞v
215 NS- nitrogen sulfide anion 1ΣC∞v
216 NS+ nitrogen sulfide cation 1ΣC∞v
217 PO- phosphorus monoxide anion 3ΣC∞v
218 PO+ phosphorus monoxide cation 1ΣC∞v
219 PS- phosphorus monosulfide anion 3ΣC∞v
220 PS- phosphorus monosulfide anion 1ΣC∞v
221 PS+ phosphorus monosulfide cation 1ΣC∞v
222 O2 Oxygen diatomic 3ΣgD∞h
223 SO Sulfur monoxide 1ΣC∞v
224 SO- sulfur monoxide anion 2ΠC∞v
225 SO+ sulfur monoxide cation 2ΠC∞v
226 S2 Sulfur diatomic 1ΣD∞h
227 S2- sulfur diatomic anion 2ΠD∞h
228 S2+ sulfur diatomic cation 2ΠD∞h
229 SeO Selenium monoxide 1?C∞v
230 SeO- selenium monoxide anion 2ΠC∞v
231 SeO+ selenium monoxide cation 2ΠC∞v
232 SeS- selenium monosulfide anion 2ΠC∞v
233 SeS+ selenium monosulfide cation 2ΠC∞v
234 Se2- selenium diatomic anion 2ΠD∞h
235 Se2+ selenium diatomic cation 2ΠgD∞h
236 HCO- formyl anion 1A'Cs
237 HCO+ Formyl cation 1ΣC∞v
238 HCS- Thioformyl anion 1A'Cs
239 HCS+ Thioformyl cation 1ΣC∞v
240 HNO- Nitrosyl hydride anion 2A"Cs
241 HNO+ Nitrosyl hydride cation 2A'Cs
242 HO2- Hydroperoxy anion 1A'Cs
243 HO2+ Hydroperoxy cation 1A'Cs
244 H2CO Formaldehyde 1A1C2v
245 LiCl- lithium chloride anion 2ΣC∞v
246 LiCl+ lithium chloride cation 2ΠC∞v
247 NaF- sodium fluoride anion 2ΣC∞v
248 NaF+ sodium fluoride cation 2ΣC∞v
249 NaCl- sodium chloride anion 2ΣC∞v
250 NaCl+ sodium chloride cation 2ΠC∞v
251 LiF- lithium fluoride anion 2ΣC∞v
252 LiF+ lithium fluoride cation 2ΠC∞v
253 BeF- Beryllium monofluoride anion 1ΣC∞v
254 BeF+ Beryllium monofluoride cation 1ΣC∞v
255 MgF- magnesium fluoride anion 1ΣC∞v
256 MgF+ magnesium fluoride cation 1ΣC∞v
257 MgCl- magnesium monochloride anion 1ΣC∞v
258 MgCl+ magnesium monochloride cation 1ΣC∞v
259 BeCl+ beryllium monochloride cation 1ΣC∞v
260 BF Boron monofluoride 1ΣC∞v
261 BF- Boron monofluoride anion 2ΠC∞v
262 BF+ Boron monofluoride cation 2ΣC∞v
263 AlF- Aluminum monofluoride anion 2ΠC∞v
264 AlF+ Aluminum monofluoride cation 2ΣC∞v
265 BCl+ boron monochloride cation 2ΣC∞v
266 CF- carbon monofluoride anion 1ΣC∞v
267 CF+ carbon monofluoride cation 1ΣC∞v
268 CCl+ carbon monochloride cation 1ΣC∞v
269 SiF- silicon monofluoride anion 3ΣC∞v
270 SiF+ silicon monofluoride cation 1ΣC∞v
271 SiCl- silicon monochloride anion 3ΣC∞v
272 SiCl+ silicon monochloride cation 1ΣC∞v
273 NF nitrogen fluoride 1ΣC∞v
274 NF- nitrogen monofluorine anion 2ΠC∞v
275 NF+ nitrogen monofluoirde cation 2ΠC∞v
276 NCl nitrogen monochloride 3ΣC∞v
277 NCl nitrogen monochloride 1ΣC∞v
278 NCl- nitrogen monochloride anion 2ΠC∞v
279 NCl+ nitrogen monochloride cation 2ΠC∞v
280 PF phosphorus monofluoride 1ΔC∞v
281 PF- phosphorus monofluoride anion 2ΠC∞v
282 PF+ phosphorus monofluoride cation 2ΠC∞v
283 PCl- phosphorus monochloride anion 2ΠC∞v
284 PCl+ phosphorus monochloride cation 2ΠC∞v
285 FO- flourine oxide anion 1ΣC∞v
286 FO+ fluorine monoxide cation 3ΣC∞v
287 ClO+ chlorine monoxide cation 3ΣC∞v
288 ClO+ chlorine monoxide cation 1ΣC∞v
289 SF- sulfur monofluoride anion 1ΣC∞v
290 SF+ sulfur monofluoride cation 3ΣC∞v
291 SF+ sulfur monofluoride cation 1ΣC∞v
292 SCl- sulfur monochloride anion 1ΣC∞v
293 SCl+ sulfur monochloride cation 3ΣgC∞v
294 SCl+ sulfur monochloride cation 1ΣC∞v
295 F2 Fluorine diatomic 1ΣgD∞h
296 F2- flourine diatomic anion 2ΣuD∞h
297 F2+ flourine diatomic cation 2ΠgD∞h
298 ClF+ clorine monofluoride cation 2ΠC∞v
299 Cl2 Chlorine diatomic 1ΣgD∞h
300 Cl2- chlorine diatomic anion 2ΣuD∞h
301 Cl2+ chlorine diatomic cation 2ΠgD∞h
302 CH2F fluoromethyl radical 2ACs
303 NH2F monofluoroamine 1A'Cs
304 C3+ carbon trimer cation 2ΣuD∞h
305 C3H3- Propargyl anion 1A'Cs
306 C3H3+ cyclopropenyl cation 1A1D3h
307 C3H3+ Propargyl cation 1A1C2v
308 CH3CN- acetonitrile anion 2EC3v
309 CH3CN+ Acetonitrile cation 2EC3v
310 N2O- Nitrous oxide anion 2A'Cs
311 N2O+ Nitrous oxide cation 2ΠC∞v
312 CO2 Carbon dioxide 1ΣgD∞h
313 CO2+ Carbon dioxide cation 2ΠgD∞h
314 OCS+ Carbonyl sulfide cation 2ΠC∞v
315 CS2+ Carbon disulfide cation 2ΠD∞h
316 NO2- Nitrogen dioxide anion 1A1C2v
317 NO2+ Nitrogen dioxide cation 1ΣGD∞h
318 PO2+ Phosphorus dioxide cation 1ΣGD∞h
319 O3- Ozone anion 2B1C2v
320 O3+ Ozone cation 2A1C2v
321 SO2- Sulfur dioxide anion 2B1C2v
322 SO2+ Sulfur dioxide cation 2A1C2v
323 HCOO formate neutral radical 2A'Cs
324 HOCO+ Hydrocarboxyl cation 1A'Cs
325 HNO2+ nitrous acid cation 2A'Cs
326 CH2CO+ Ketene cation 2B1C2v
327 CH3CO+ acetyl cation 1A1C3v
328 CH3OO+ methylperoxy cation 1A'Cs
329 CF2- Difluoromethylene anion 2B1C2v
330 CF2+ Difluoromethylene cation 2A1C2v
331 CCl2+ dichloromethylene cation 2A1C2v
332 ClOO+ chloroperoxy cation 1A'Cs
333 OClO+ Chlorine dioxide cation 1A1C2v
334 NF2+ Difluoroamino cation 1A1C2v
335 SF2+ sulfur difluoride cation 2B1C2v
336 HCCF+ fluoroacetylene cation 2ΠC∞v
337 C4+ Carbon tetramer cation 2ΠgD∞h
338 C4H2+ diacetlyene cation 2ΠgD∞h
339 C2N2+ Cyanogen cation 2ΠgD∞h
340 HCCCN+ Cyanoacetylene cation 2ΠC∞v
341 C3H3N+ acrylonitrile cation 2A"Cs
342 NO3+ nitrogen trioxide cation 1A1C2v
343 NO3+ nitrogen trioxide cation 1A1'D3h
344 SO3- Sulfur trioxide anion 2A1pyramidal
345 SO3- Sulfur trioxide anion 2A2"planar
346 SO3+ Sulfur trioxide cation 2A2'D3h
347 C2Cl2+ dichloroacetylene cation 2ΠUD∞h
348 BF3 Borane, trifluoro- 1A'D3h
349 BF3- Borane, trifluoro- anion 2A1D3h
350 BF3+ boron trifluoride cation 2A2'D3h
351 AlF3 Aluminum trifluoride 1A1'D3h
352 CF3- Trifluoromethyl anion 1A1C3v
353 CF3+ Trifluoromethyl cation 1A1'D3h
354 CCl3- Trichloromethyl anion 1A1C3v
355 CCl3+ Trichloromethyl cation 1A1'D3h
356 SiCl3+ trichlorosilyl cation 1A1'D3h
357 NF3- Nitrogen trifluoride anion 2A1C3v
358 NF3+ Nitrogen trifluoride cation 2A1C3v
359 C3O2+ Carbon suboxide cation 2ΠUD∞h
360 C2HF3+ Trifluoroethylene cation 2A"Cs
361 C6H13N cyclohexanamine 1AC1
362 C6H12O2 Methyl pivalate 1AC1
363 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 Li- Lithium atom anion li-  
14 Na- Sodium atom anion na-  
15 K Potassium atom k  
16 K- Potassium atom anion k-  
17 K+ Potassium atom cation k+  
18 Cu Copper atom cu  
19 Cu- Copper atom anion cu-  
20 Cu+ Copper atom cation cu+  
21 NaH sodium hydride nah  
22 KH Potassium hydride kh  
23 KH+ Potassium hydrogen cation kh+  
24 CuH Copper monohydride cuh  
25 Be- Beryllium atom anion be-  
26 Mg- Magnesium atom anion mg-  
27 Ca Calcium atom ca  
28 Ca- Calcium atom anion ca-  
29 Ca+ Calcium atom cation ca+  
30 Zn Zinc atom zn  
31 Zn- Zinc atom anion zn-  
32 Zn+ Zinc atom cation zn+  
33 BeH beryllium monohydride beh  
34 MgH magnesium monohydride mgh  
35 CaH Calcium monohydride cah  
36 CaH+ Calcium monohydride cation cah+  
37 TiH Titanium monohydride tih  
38 ZnH Zinc monohydride znh  
39 ZnH+ Zinc, protonated znh+  
40 BeH2 beryllium dihydride beh2  
41 BeH2+ Beryllium dihydride cation beh2+  
42 MgH2 magnesium dihydride mgh2  
43 CaH2 Calcium Hydride cah2  
44 ZnH2 Zinc hydride znh2  
45 B- Boron atom anion b-  
46 Al- Aluminum atom anion al-  
47 Sc Scandium atom sc  
48 Sc+ Scandium cation sc+  
49 Ga Gallium atom ga  
50 Ga- Gallium atom anion ga-  
51 Ga+ Gallium atom cation ga+  
52 BH Boron monohydride bh  
53 AlH aluminum monohydride alh  
54 ScH Scandium monohydride sch  
55 ScH+ Scandium monohydride cation sch+  
56 GaH Gallium monohydride gah  
57 GaH+ Gallium monohydride cation gah+  
58 BH2 boron dihydride bh2  
59 BH2- boron dihydride anion bh2-  
60 BH2+ Boron dihydride cation bh2+  
61 AlH2 aluminum dihydride alh2  
62 BH3 boron trihydride bh3  
63 AlH3 aluminum trihydride alh3  
64 AlH3+ aluminum trihydride cation alh3+  
65 ScH3 Scandium trihydride sch3  
66 GaH3 Gallium trihydride gah3  
67 BH4 borohydride bh4  
68 BH4- borohydride anion bh4-  
69 AlH4- Aluminum tetrahydride anion alh4-  
70 C- Carbon atom anion c-  
71 Si- Silicon atom anion si-  
72 Ti Titanium atom ti  
73 Ti- Titanium atom anion ti-  
74 Ti+ Titanium atom cation ti+  
75 Ge Germanium atom ge  
76 Ge- Germanium anion ge-  
77 Ge+ Germanium cation ge+  
78 Sn Tin atom sn  
79 Sn+ Tin cation sn+  
80 CH Methylidyne ch  
81 SiH Silylidyne sih  
82 GeH germylidene geh  
83 GeH+ Germaniun monohyrdide cation geh+  
84 CH2 Methylene ch2  
85 SiH2 silicon dihydride sih2  
86 GeH2 germylene geh2  
87 GeH2- germylene anion geh2-  
88 CH3 Methyl radical ch3  
89 SiH3 Silyl radical sih3  
90 GeH3 Germyl radical geh3  
91 GeH3+ germyl cation geh3+  
92 CD4 methane-d4 cd4  
93 CH2D2 methane-d2 ch2d2  
94 CH3D methane-d ch3d  
95 CH4- Methane anion ch4-  
96 CHD3 methane-d3 chd3  
97 SiH2D2 silane-d2 sih2d2  
98 SiH4 Silane sih4  
99 SiH4+ Silane cation sih4+  
100 GeH4 Germane geh4  
101 SnH4 Stannane snh4  
102 SiH5+ Silane, protonated sih5+  
103 N- Nitrogen atom anion n-  
104 P- Phosphorus atom anion p-  
105 P+ Phosphorus atom cation p+  
106 V Vanadium atom v  
107 V+ Vanadium atom cation v+  
108 As Arsenic atomic as  
109 As- Arsenic anion as-  
110 As+ Arsenic cation as+  
111 Sb Antimony atom sb  
112 NH Imidogen nh  
113 PH phosphorus monohydride ph  
114 AsH Arsenic monohydride ash  
115 AsH+ Arsenic monohydride cation ash+  
116 SbH Antimony monohydride sbh  
117 ND2 Amidogen-d2 nd2  
118 NH2 Amino radical nh2  
119 NH2+ Amino cation nh2+  
120 PH2 Phosphino radical ph2  
121 AsH2 Arsenic dihydride ash2  
122 AsH2+ Arsenic dihydride cation ash2+  
123 ND3 Ammonia-d3 nd3  
124 NH3- Ammonia anion nh3-  
125 NH3+ ammonia cation nh3+  
126 PH3 Phosphine ph3  
127 AsH3 Arsine ash3  
128 AsH3+ Arsine cation ash3+  
129 SbH3 Stibine sbh3  
130 AsH4+ Arsonium ash4+  
131 NH4 Ammonium radical nh4  
132 NH4+ ammonium cation nh4+  
133 PH4 Phosphoranyl radical ph4  
134 O- Oxygen atom anion o-  
135 S- Sulfur atom anion s-  
136 S+ Sulfur atom cation s+  
137 Cr Chromium atom cr  
138 Se Selenium atom se  
139 Se- Selenium atom anion se-  
140 Se+ Selenium atom cation se+  
141 Te Tellurium atom te  
142 Te+ Tellurium atom cation te+  
143 DO Hydroxyl-d od  
144 DS Mercapto-d ds  
145 HS Mercapto radical hs  
146 CrH Chromium hydride crh  
147 CrH+ Chromium hydride cation crh+  
148 HSe Selenium monohydride hse  
149 TeH Telluryl radical teh  
150 D2O Deuterium oxide d2o  
151 HDO Water-d1 hdo  
152 D2S Hydrogen sulfide-d2 d2s  
153 H2S Hydrogen sulfide h2s  
154 H2S- Hydrogen sulfide anion h2s-  
155 H2Se Hydrogen selenide h2se  
156 H2Te Hydrogen Telluride h2te  
157 H3S+ Sulfonium cation h3s+  
158 H3Se+ Hydrogen Selenide, protonated h3se+  
159 F- Fluorine atom anion f-  
160 Cl- Chlorine atom anion cl-  
161 Mn Manganese atom mn  
162 Br Bromine atom br  
163 Br- Bromine atom anion br-  
164 Br+ Bromine atom cation br+  
165 I Iodine atom iodine  
166 I- Iodine atom anion iodine-  
167 I+ Iodine atom cation iodine+  
168 DF Hydrofluoric acid-d df  
169 DCl Hydrochloric acid-d dcl  
170 HBr hydrogen bromide hbr  
171 HI Hydrogen iodide hi  
172 HI+ Hydrogen iodide cation hi+  
173 H2F+ dihydrogen fluoride cation h2f+  
174 H2Br+ protonated hydrogen bromide h2br+  
175 H2I+ Iodonium h2i+  
176 Ne- Neon atom anion ne-  
177 Ar- Argon atom anion ar-  
178 Ar+ Argon atom cation ar+  
179 Fe Iron atom fe  
180 Kr Krypton atom kr  
181 Kr+ Krypton cation kr+  
182 Xe Xenon atom xe  
183 HeLi+ Helium Lithium cation heli+  
184 NeH neon hydrogen neh  
185 KrH+ Protonated Krypton krh+  
186 XeH+ Xenon, protonated xeh+  
187 H2Ar H2 Ar dimer h2ar  
188 Co Cobalt atom cobalt  
189 Ni Nickel atom ni  
190 Li2 Lithium diatomic li2  
191 NaLi lithium sodium lina  
192 LiK Lithium Potassium lik  
193 NaK Sodium Potassium nak  
194 NaK+ Sodium Potassium diatomic cation nak+  
195 K2 Potassium diatomic k2  
196 Cu2 Copper diatomic cu2  
197 LiBe Lithium Beryllium libe  
198 LiMg Lithium magnesium limg  
199 NaBe Sodium Beryllium nabe  
200 NaMg Sodium Magnesium namg  
201 Be2 Beryllium diatomic be2  
202 BeMg Beryllium Magnesium bemg  
203 Mg2 Magnesium diatomic mg2  
204 Ca2 Calcium diatomic ca2  
205 LiB Lithium boride lib  
206 LiAl Lithium Aluminum lial  
207 NaAl Sodium aluminum naal  
208 BeB Beryllium monoboride beb  
209 B2 Boron diatomic b2  
210 BAl Boron Aluminum bal  
211 Al2 Aluminum diatomic al2  
212 Al2- aluminum diatomic anion al2-  
213 Al2+ aluminum diatomic cation al2+  
214 BGa Boron Gallium bga  
215 AlGa Aluminum Gallium alga  
216 Ga2 Gallium diatomic ga2  
217 HBBH Diborane(2) hbbh  
218 LiBH4 Lithium borohydride libh4  
219 B2H4 Diborane(4) D2d b2h4  
220 HBHHBH Diborane(4) C2V hbhhbh  
221 B2H6 Diborane b2h6  
222 B2H6+ Diborane cation b2h6  
223 Al2H6 dialane al2h6  
224 Ga2H6 digallane ga2h6  
225 LiC Lithium Carbide lic  
226 BeC Beryllium Carbide bec  
227 CaC Calcium monocarbide cac  
228 BC boron monocarbide bc  
229 AlC Aluminum carbide alc  
230 BSi Boron silicide bsi  
231 C2 Carbon diatomic c2  
232 Si2 Silicon diatomic si2  
233 GeC Germanium monocarbide gec  
234 SiGe Silicon Germanium sige  
235 Ge2 Germanium diatomic ge2  
236 C2H Ethynyl radical c2h  
237 ZnCH2 Zinc methylene znch2  
238 C2H2+ acetylene cation c2h2+  
239 CCH2 vinylidene vinylidene  
240 H2CC- vinylidene anion h2cc-  
241 HCCH- acetylene anion c2h2-  
242 Si2H2 disilyne si2h2  
243 CH3Li methyl lithium ch3li  
244 CuCH3 monomethyl copper cuch3  
245 ZnCH3 Zinc monomethyl znch3  
246 CH2BH methyleneborane ch2bh  
247 C2H3 vinyl c2h3  
248 C2H3- vinyl anion c2h3-  
249 CH2SiH2 silaethylene ch2sih2  
250 Si2H4 Disilene si2h4  
251 CH3BH2 methylborane ch3bh2  
252 C2H5 Ethyl radical c2h5  
253 C2H5- Ethyl anion c2h5-  
254 C2H5+ Ethyl cation c2h5+  
255 C2H6+ ethane cation c2h6+  
256 CH3SiH3 methyl silane ch3sih3  
257 Si2H6 disilane si2h6  
258 GeH3CH3 methyl germane geh3ch3  
259 C2H7+ Ethane, protonated c2h7+  
260 LiN Lithium Nitride lin  
261 LiN+ Lithium Nitride cation lin+  
262 LiP Lithium monophosphide lip  
263 BeN Beryllium mononitride ben  
264 BeN+ Beryllium mononitride cation ben+  
265 MgN Magnesium Nitride mgn  
266 BP Boron monophosphide bp  
267 AlP Aluminum monophosphide alp  
268 GaN Gallium mononitride gan  
269 GaP Gallium monophosphide gap  
270 GaAs Gallium arsenide gaas  
271 BN boron nitride bn  
272 AlN Aluminum nitride aln  
273 CN Cyano radical cn  
274 CP Carbon monophosphide cp  
275 CP+ carbon monophosphide cation cp+  
276 SiN Silicon nitride sin  
277 TiN Titanium mononitride tin  
278 N2+ diatomic nitrogen cation n2+  
279 PN Phosphorus mononitride pn  
280 P2 Phosphorus diatomic p2  
281 AsN Arsenic mononitride asn  
282 AsP Arsenic monophosphide asp  
283 SbN Antimony nitride sbn  
284 As2 Arsenic diatomic as2  
285 HNB hydrogen nitrogen boron hnb  
286 HNC hydrogen isocyanide hnc  
287 HCN Hydrogen cyanide hcn  
288 HNC+ hydrogen isocyanide cation hnc+  
289 HCP Phosphaethyne hcp  
290 HCP+ Phosphaethyne cation hcp+  
291 NNH Dinitrogen monohydride nnh  
292 NNH+ Dinitrogen monohydride cation nnh+  
293 HPO Hydrogen phosphorus oxide hpo  
294 LiNH2 lithium amide linh2  
295 HBNH Boranimine hbnh  
296 CNH2 Aminomethylidyne radical cnh2  
297 CNH2+ N-protonated hydrogen isocyanide cnh2+  
298 H2CN Dihydrogen cyanide radical h2cn  
299 HCNH methyleneazane hcnh  
300 HCNH+ N-protonated HCN hcnh+  
301 H2NN Isodiazene h2nn  
302 N2H2 (E)-diazene n2h2  
303 N2H2 (Z)-Diazene n2h2z  
304 N2H2+ trans-diazene cation n2h2+  
305 CH2NH Methanimine ch3n  
306 CH2NH+ Methanimine cation ch2nh+  
307 CHNH2 aminomethylene chnh2  
308 CHNH2+ Aminocarbene cation chnh2+  
309 CH2PH Phosphaethene ch3p  
310 BH2NH2 Boranamine bh2nh2  
311 CH2NH2+ methyleneamine cation ch2nh2+  
312 N2H4 Hydrazine n2h4  
313 N2H4+ hydrazine cation n2h4+  
314 P2H4 Diphosphine p2h4  
315 CH3NH2 methyl amine ch3nh2  
316 CH3NH2+ methyl amine cation ch3nh2+  
317 CH3PH2 Methyl phosphine ch3ph2  
318 SiH3NH2 Silane, amino sih3nh2  
319 N2H5+ protonated hydrazine n2h5+  
320 BH3PH3 borane phosphine bh3ph3  
321 BH3NH3 borane ammonia bh3nh3  
322 CH3NH3 methyl ammonium radical ch3nh3  
323 CH3PH3+ methyl phosphine, protonated ch3ph3+  
324 NH3NH3 Ammonia Dimer nh3nh3  
325 N2H7+ ammonia ammonium dimer n2h7+  
326 LiO lithium oxide lio  
327 LiS Lithium monosulfide lis  
328 LiS+ Lithium sulfide cation lis+  
329 NaO sodium monoxide nao  
330 KO Potassium monoxide ko  
331 KO+ Potassium monoxide cation ko+  
332 NaS Sodium sulfide nas  
333 CuO Copper Monoxide cuo  
334 LiSe Lithium monoselenide lise  
335 BeO beryllium oxide beo  
336 BeS beryllium sulfide bes  
337 MgO magnesium oxide mgo  
338 CaO Calcium monoxide cao  
339 MgS magnesium sulfide mgs  
340 CaS Calcium sulfide cas  
341 ZnO zinc monoxide zno  
342 ZnS Zinc sulfide zns  
343 BeS- Beryllium monosulfide anion bes-  
344 BeS+ Beryllium monosulfide cation bes+  
345 BO boron monoxide bo  
346 AlO Aluminum monoxide alo  
347 BS boron sulfide bs  
348 AlS Aluminum sulfide als  
349 AlS+ aluminum monosulfide cation als+  
350 ScO Scandium monoxide sco  
351 GaO Gallium monoxide gao  
352 GaS Gallium monosulfide gas  
353 CS carbon monosulfide cs  
354 CS+ carbon monosulfide cation cs+  
355 SiO Silicon monoxide sio  
356 SiS silicon monosulfide sis  
357 TiO Titanium monoxide tio  
358 CSe Carbon monoselenide cse  
359 CSe- Carbon monoselenide anion cse-  
360 GeO Germanium monoxide geo  
361 GeO+ Germanium monoxide cation geo+  
362 GeS Germanium monosulfide ges  
363 SiSe Silicon Monoselenide sise  
364 SiSe+ Silicon Monoselenide cation sise+  
365 GeSe Germanium monoselenide gese  
366 NO- nitric oxide anion no-  
367 NS Mononitrogen monosulfide ns  
368 PO Phosphorus monoxide po  
369 PS phosphorus sulfide ps  
370 VO Vanadium monoxide vo  
371 AsO Arsenic monoxide aso  
372 NSe Nitrogen monoselenide nse  
373 AsS Arsenic monosulfide ass  
374 PSe Phosphorus monoselenide pse  
375 AsSe Arsenic monoselenide asse  
376 O2- oxygen diatomic anion o2-  
377 O2-- dioxygen dianion o2--  
378 O2+ diatomic oxygen cation o2+  
379 SO Sulfur monoxide so  
380 S2 Sulfur diatomic s2  
381 SeO Selenium monoxide seo  
382 SeS Selenium monosulfide ses  
383 TeO Tellurium monoxide teo  
384 Se2 Selenium diatomic se2  
385 Te2 Tellurium diatomic te2  
386 LiOH lithium hydroxide lioh  
387 NaOH sodium hydroxide naoh  
388 KOH Potassium hydroxide koh  
389 BeOH beryllium monohydroxide beoh  
390 MgOH magnesium hydroxide mgoh  
391 CaOH Calcium monohydroxide caoh  
392 HBO Boron hydride oxide hbo  
393 HBS hydrogen boron sulfide hbs  
394 COH Hydroxymethylidyne coh  
395 COH+ Carbon Monoxide, protonated coh+  
396 HCO Formyl radical hco  
397 HCS Thioformyl radical hcs  
398 HNO Nitrosyl hydride hno  
399 NOH Hydroxyimidogen noh  
400 NOH+ O-protonated nitric oxide noh+  
401 HNS Sulfur imide hns  
402 HNS- Sulfur imide anion hns-  
403 HO2 Hydroperoxy radical ho2  
404 HO2+ Hydroperoxy cation ho2+  
405 HSO+ Sulfur Monoxide, S-protonated HSO+  
406 SOH Sulfur Hydroxide soh  
407 SOH+ Sulfur Monoxide, protonated soh+  
408 HS2 Thiosulfeno radical hs2  
409 H2CO- formaldehyde anion h2co-  
410 H2CO+ formaldehyde cation h2co+  
411 HOCH hydroxycarbene hoch  
412 H2CS Thioformaldehyde h2cs  
413 H2CS- thioformaldehyde anion h2cs-  
414 H2CS+ thioformaldehyde cation h2cs+  
415 H2CSe Selenoformaldehyde h2cse  
416 H2NO nitroxide h2no  
417 H2O2 Hydrogen peroxide h2o2  
418 H2O2+ Hydrogen peroxide cation h2o2+  
419 H2OO water oxide h2oo  
420 HOSH hydrogen thioperoxide hosh  
421 H2S2 Disulfane h2s2  
422 H2S2+ hydrogen disulfide cation h2s2+  
423 H2Se2 hydrogen diselenide h2se2  
424 CH2OH Hydroxymethyl radical ch2oh  
425 CH2OH+ hydroxymethyl cation ch2oh+  
426 CH3O Methoxy radical ch3o  
427 CH3O- methoxy anion ch3o-  
428 CH3O+ Methoxy cation ch3o+  
429 CH3S thiomethoxy ch3s  
430 H2CSH+ Thioformaldehyde, protonated h2csh+  
431 NH2OH hydroxylamine nh2oh  
432 NH2OH+ Hydroxylamine cation nh2oh+  
433 NH3O Ammonia Oxide nh3o  
434 H2POH Phosphinous acid h2poh  
435 H3PO Phosphine oxide h3po  
436 NH2SH Thiohydroxylamine nh2sh  
437 NH3S sulfidoazane nh3s  
438 H3O2+ hydrogen peroxide, protonated h3o2+  
439 CH3OH Methyl alcohol ch3oh  
440 CH3OH- Methyl alcohol anion ch3oh-  
441 CH3OH+ Methyl alcohol cation ch3oh+  
442 CH3SH Methanethiol ch3sh  
443 CH3SH+ Methanethiol cation ch3sh+  
444 SiH3OH silanol sih3oh  
445 CH3SeH Methane selenol ch3seh  
446 NH2OH2+ protonated hydroxylamine nh2oh2+  
447 NH3OH+ N-protonated hydroxylamine nh3oh+  
448 H2OH2O water dimer h2oh2o  
449 CH3OH2+ Methanol, protonated ch3oh2+  
450 CH3SH2+ protonated methylsulfide ch3sh2+  
451 H2ONH3 Water Ammonia Dimer h2onh3  
452 H5O2+ Dihydroxonium ion h5o2+  
453 LiF lithium fluoride lif  
454 LiCl lithium chloride licl  
455 NaF sodium fluoride naf  
456 KF Potassium Fluoride kf  
457 NaCl Sodium Chloride nacl  
458 KCl Potassium Chloride kcl  
459 CuF Copper monofluoride cuf  
460 LiBr Lithium Bromide libr  
461 LiBr- lithium bromide anion libr-  
462 LiBr+ lithium bromide cation libr+  
463 CuCl Copper monochloride cucl  
464 NaBr Sodium Bromide nabr  
465 NaBr- sodium bromide anion nabr-  
466 NaBr+ sodium bromide cation nabr+  
467 KBr Potassium Bromide kbr  
468 LiI Lithium Iodide lii  
469 NaI Sodium Iodide nai  
470 KI Potassium Iodide ki  
471 BeF Beryllium monofluoride bef  
472 BeCl beryllium monochloride becl  
473 MgF Magnesium monofluoride mgf  
474 CaF Calcium monofluoride caf  
475 MgCl magnesium monochloride mgcl  
476 CaCl calcium monochloride cacl  
477 TiCl Titanium Monochloride ticl  
478 ZnF Zinc monofluoride znf  
479 ZnF- Zinc monofluoride anion znf-  
480 ZnF+ Zinc monofluoride cation znf+  
481 ZnCl Zinc monochloride zncl  
482 CaBr Calcium monobromide cabr  
483 BeCl- beryllium monochloride anion becl-  
484 AlF Aluminum monofluoride alf  
485 BCl boron monochloride bcl  
486 BCl- boron monochloride anion bcl-  
487 AlCl Aluminum monochloride alcl  
488 AlCl- aluminum monochloride anion alcl-  
489 AlCl+ aluminum monochloride cation alcl+  
490 ScF Scandium monofluoride scf  
491 BBr Boron monobromide bbr  
492 GaF Gallium monofluoride gaf  
493 GaF+ Gallium monofluoride cation gaf+  
494 AlBr Aluminum monobromide albr  
495 GaCl Gallium monochloride gacl  
496 GaCl+ Gallium monochloride cation gacl+  
497 AlI Aluminum monoiodide ali  
498 GaBr Gallium monobromide gabr  
499 CF Fluoromethylidyne cf  
500 CF- carbon monofluoride anion cf-  
501 CCl carbon monochloride ccl  
502 CCl- carbon monochloride anion ccl-  
503 SiF silicon monofluoride sif  
504 SiCl Clorosilylidyne sicl  
505 CBr Carbon monobromide cbr  
506 GeF Germanium monofluoride gef  
507 GeF+ Germanium monofluoride cation gef+  
508 GeCl Germanium monochloride gecl  
509 GeCl+ Germanium monochloride cation gecl+  
510 SiBr Silicon monobromide sibr  
511 SiBr+ Silicon monobromide cation sibr+  
512 NF nitrogen fluoride nf  
513 PF phosphorus monofluoride pf  
514 PCl phosphorus chloride pcl  
515 AsF Arsenic monofluoride asf  
516 NBr nitrogen monobromide nbr  
517 AsCl Arsenic monochloride ascl  
518 PBr Phosphorus monobromide pbr  
519 SbF Antimony monofluoride sbf  
520 SbCl Antimony monochloride sbcl  
521 FO Oxygen monofluoride fo  
522 ClO Monochlorine monoxide clo  
523 ClO- chlorine monoxide anion clo-  
524 SF Monosulfur monofluoride sf  
525 SCl sulfur monochloride scl  
526 BrO Bromine monoxide bro  
527 BrO- Bromine monoxide anion bro-  
528 BrO+ Bromine monoxide cation bro+  
529 SeF Selenium monofluoride sef  
530 SBr Sulfur monobromide radical sbr  
531 SBr+ Sulfur monobromide cation sbr+  
532 SeCl Selenium monochloride secl  
533 IO Iodine monoxide io  
534 SeBr Selenium monobromide sebr  
535 BrCl Bromine monochloride brcl  
536 ClF Chlorine monofluoride clf  
537 ClF- clorine monofluoride anion clf-  
538 BrF Bromine monofluoride brf  
539 BrF- bromine fluoride anion brf-  
540 BrF+ bromine fluoride cation brf+  
541 BrCl- bromine chloride anion brcl-  
542 BrCl+ bromine chloride cation brcl+  
543 IF Iodine monofluoride if  
544 Br2 Bromine diatomic br2  
545 Br2- bromine diatomic anion br2-  
546 Br2+ bromine diatomic cation br2+  
547 ICl Iodine monochloride icl  
548 IBr Iodine monobromide ibr  
549 I2 Iodine diatomic i2  
550 I2+ Iodine diatomic cation i2+  
551 HCF Fluoromethylene hcf  
552 HCCl Chloromethylene hccl  
553 HSiF fluorosilylene hsif  
554 HSiCl Chlorosilylene hsicl  
555 HSiBr monobromosilylene hsibr  
556 CHBr bromomethylene chbr  
557 HOF Hypofluorous acid hfo  
558 DOCl Hypochlorous acid-d docl  
559 HOCl hypochlorous acid hocl  
560 HOCl+ hypochlorous acid cation hocl+  
561 HOBr Hypobromous acid hobr  
562 HOBr+ Hypobromous acid cation hobr+  
563 HOI Hypoiodous acid hoi  
564 F2H+ Fluorine, protonated f2h+  
565 FHF Hydrogen difluoride fhf  
566 FHF- Hydrogen difluoride anion fhf-  
567 ClFH+ Chlorine fluoride, F-protonated clfh+  
568 FClH+ Chlorine fluoride, Cl-protonated fclh+  
569 Cl2H+ Chlorine, protonated cl2h+  
570 CH2Br bromomethyl radical ch2br  
571 CH2F+ fluoromethyl cation ch2f+  
572 CH2Cl+ chloromethyl cation ch2cl+  
573 CH2Cl chloromethyl radical ch2cl  
574 NH2Cl chloramine nh2cl  
575 H2F2 Hydrogen fluoride dimer h2f2  
576 CH3F+ methyl fluoride cation ch3f+  
577 CD3F methylfluoride-d3 cd3f  
578 CH3F Methyl fluoride ch3f  
579 CD3Cl methyl chloride d3 cd3cl  
580 CH3Cl Methyl chloride ch3cl  
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 NH4Cl Ammonium chloride nh4cl  
593 LiNe+ Lithium Neon cation line+  
594 Ne2 Neon diatomic ne2  
595 Ne2+ Neon diatomic cation ne2+  
596 Ar2 Argon diatomic ar2  
597 Ar2+ Argon diatomic cation ar2+  
598 Li3 Lithium trimer li3  
599 Li3+ Lithium trimer cation li3+  
600 C3 carbon trimer c3  
601 SiC2 Silicon dicarbide sic2  
602 C3H3 cyclopropenyl radical cpr  
603 C3H3 Propargyl radical propargyl  
604 C3H4 cyclopropene cprop  
605 CH2CCH2 allene allene  
606 CH3CCH propyne propyne  
607 C3H5 Allyl radical allyl  
608 C3H5+ Allyl cation allyl+  
609 CH3CHCH 1-propenyl radical ch3chch  
610 Zn(CH3)2 dimethyl zinc dmz  
611 C3H6 Cyclopropane c3h6  
612 CH2CHCH3 Propene propene  
613 C3H7 n-Propyl radical npropyl  
614 C3H7+ cyclopropane, protonated c3h7+  
615 CH3CHCH3 Isopropyl radical isopropyl  
616 CH3CHCH3+ Isopropyl cation prop2yl+  
617 C3H8 Propane propane  
618 SiH2(CH3)2 dimethylsilane dms  
619 Si3H8 trisilane si3h8  
620 LiCN lithium cyanide licn  
621 NaCN Sodium Cyanide nacn  
622 KCN Potassium cyanide kcn  
623 CuCN Copper cyanide cucn  
624 ZnCN Zinc monocyanide zncn  
625 ZnNC Zinc isocyanide znnc  
626 AlCN Aluminum monocyanide alcn  
627 AlNC Aluminum isocyanide alnc  
628 CN2 3H-Diazirin-3-ylidene cn2  
629 CNN Diazocarbene cnn  
630 NCN Cyanoimidogen ncn  
631 N3 azide radical n3  
632 N3- azide anion n3-  
633 N3+ azide cation n3+  
634 HCCN cyanomethylene hccn  
635 HCNN diazomethyl radical hcnn  
636 HN3 hydrogen azide hn3  
637 HN3+ Hydrazoic acid cation hn3+  
638 HNCNH diiminomethane hncnh  
639 CH2N2 diazirine ch2n2  
640 CH2NN diazomethane ch2nn  
641 NH2CN cyanamide cyanamide  
642 HNNNH+ 1,2-Triazadienium n2h3+  
643 NH2NN+ hydrazoic acid, protonated nh2nn+  
644 CH3CN Acetonitrile ch3cn  
645 CH3NC methyl isocyanide ch3nc  
646 CHNCH2 2H-Azirine c157164  
647 CHNHCH 1H-Azirine chnhch  
648 H2CCNH Ethenimine ch2cnh  
649 H2CNCH methyleneaminomethylene ch2nch  
650 HCCNH2 Ethynamine hccnh2  
651 HCNCH2+ 2H-Azirine cation hcnch2+  
652 HNCNH2+ diiminomethane, protonated hncnh2+  
653 NCNH3+ Cyanamide, protonated ncnh3+  
654 NH2CNH+ cyanamide, cn protonated nh2cnh+  
655 NH3CN+ cyanamide, amine protonated nh3cn+  
656 CH2CHNH vinylazine ch2chnh  
657 CH3CHN methylmethaniminyl radical ch3chn  
658 NHCHNH2 aminomethanimine cn2h4  
659 C2H5N Aziridine c2h5n  
660 CH2CHNH2 aminoethene aminoethene  
661 CH2NCH3 N-methylmethanimine nmm  
662 CH3CHNH ethanimine ethanimine  
663 NH2BHNH2 diaminoborane nh2bhnh2  
664 C2H5NH+ Protonated Aziridine c2h5nh+  
665 C2H6N+ aziridine, protonated c2h6n+  
666 NH2CH2NH2 diaminomethane nh2ch2nh2  
667 CH3CH2NH2 Ethylamine etam  
668 CH3NHCH3 Dimethylamine ch3nhch3  
669 CH3PHCH3 dimethylphosphine ch3phch3  
670 NH2CH2NH3+ diaminoethane, protonated pdam  
671 (CH3)2NH2+ dimethylammonium cation dmam  
672 CH3CH2NH3+ ethylamine, protonated pea  
673 Li2O dilithium oxide li2o  
674 Li2O+ dilithium oxide cation li2o+  
675 Li2S dilithium sulfide li2s  
676 Na2O disodium monoxide na2o  
677 Na2S Sodium sulfide na2s  
678 LiO2 Lithium dioxide lio2  
679 NaO2 Sodium superoxide nao2  
680 CCO Dicarbon monoxide cco  
681 CNO- fulminate cno-  
682 NCO isocyanato radical nco  
683 NCO- cyanate nco-  
684 SCN thiocyanato radical scn  
685 SCN- thiocyanide anion scn-  
686 BO2 Boron dioxide bo2  
687 BO2- Boron dioxide anion bo2-  
688 BO2+ Boron dioxide cation bo2+  
689 N2O Nitrous oxide n2o  
690 NNS Nitrogen sulfide nns  
691 PPO Phosphorus oxide phosphide ppo  
692 CO2- Carbon dioxide anion co2-  
693 OCS Carbonyl sulfide cos  
694 SiO2 silicon dioxide sio2  
695 CS2 Carbon disulfide cs2  
696 CS2- Carbon disulfide anion cs2-  
697 TiO2 Titanium dioxide tio2  
698 SiS2 Silicon disulfide sis2  
699 GeO2 Germanium dioxide geo2  
700 OCSe Carbonyl selenide ocse  
701 SCSe Carbon sulfide selenide scse  
702 GeS2 Germanium disulfide ges2  
703 CSe2 Carbon diselenide cse2  
704 SCTe Carbon sulfide Telluride scte  
705 NO2 Nitrogen dioxide no2  
706 NSO sulfinyl amidogen NSO  
707 PO2 Phosphorus dioxide po2  
708 PO2- Phosphorus dioxide anion po2-  
709 SNO Nitrogen oxide sulfide sno  
710 AsO2 Aresenic dioxide aso2  
711 O3 Ozone o3  
712 SO2 Sulfur dioxide so2  
713 SSO Disulfur monoxide sso  
714 S3 Sulfur trimer s3  
715 S3- Sulfur trimer anion s3-  
716 S3+ Sulfur trimer cation s3+  
717 SeO2 Selenium dioxide seo2  
718 SeO2+ Selenium dioxide cation seo2+  
719 TeO2 Tellurium Dioxide teo2  
720 HCCO ketenyl radical ketenyl  
721 CS2H+ Carbon disulfide, protonated cs2h+  
722 HCNO fulminic acid hcno  
723 HNCO Isocyanic acid hnco  
724 HOCN cyanic acid hocn  
725 HNCS Isothiocyanic acid hncs  
726 HSCN thiocyanic acid hscn  
727 HCO2- formate anion hco2-  
728 HNNO nitrosoazane hnno  
729 HNNO+ Nitrous oxide, N-protonated hnno+  
730 NNOH+ Nitrous Oxide, O-protonated nnoh+  
731 HOCO Hydrocarboxyl radical hoco  
732 HNO2 Nitrous acid hno2  
733 O3H+ protonated ozone o3h+  
734 SO2H+ protonated sulfur dioxide so2h+  
735 C2H2O Oxirene oxirene  
736 CH2CO Ketene ch2co  
737 HCCOH ethynol hccoh  
738 CH2CS Thioketene ch2cs  
739 Be(OH)2 Beryllium hydroxide beo2h2  
740 Mg(OH)2 Magnesium dihydroxide h2mgo2  
741 NH2NO Nitrosamide nh2no  
742 CH2O2 Dioxirane diox  
743 H2COO Dioxymethyl radical h2coo  
744 H2COO+ dioxymethyl cation h2coo+  
745 HCOOH Formic acid ch2o2  
746 H2O3 Hydrogen trioxide h2o3  
747 HSSSH trisulfane hsssh  
748 NaOCH3 Sodium methoxide naoch3  
749 CH2BOH hydroxy(methylene)borane ch2boh  
750 BH3CO Borane carbonyl bh3co  
751 CH3BO Borane, methyloxo- ch3bo  
752 CH2CHO Vinyloxy radical ch2cho  
753 CH2COH+ ketene, protonated ch2coh+  
754 CH3CO Acetyl radical ch3co  
755 CH3CO- Acetyl anion ch3co-  
756 CH2NOH formaldoxime ch2noh  
757 CH3NO nitrosomethane ch3no  
758 CHONH2 formamide formamide  
759 CNOH3 1,2-oxaziridine cnoh3  
760 HOCHNH hydroxymethylimine hochnh  
761 CHSNH2 thioformamide chsnh2  
762 NHCHSH Methanimidothioic acid nhchsh  
763 CH2OOH CH2OOH radical ch2ooh  
764 CH3OO methylperoxy radical ch3oo  
765 CH3OO- methylperoxy anion ch3oo-  
766 C2H4O Ethylene oxide c2h4o  
767 C2H4O+ ethylene oxide cation c2h4o+  
768 CH2CHOH ethenol ch2choh  
769 CH3CHO Acetaldehyde ch3cho  
770 CH3CHO+ acetaldehyde cation ch3cho+  
771 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
772 C2H4S Thiirane thiirane  
773 CH2CHSH Ethenethiol ch2chsh  
774 CH3CHS Thioacetaldehyde ch3chs  
775 H2CONH2+ protonated formamide h2conh2+  
776 NH2CHOH+ Formamide, O-protonated nh2choh+  
777 NH3CHO+ Formamide, N-Protonated nh3cho+  
778 CH2(OH)2 methanediol ch2o2h2  
779 CH3OOH Methyl peroxide ch3ooh  
780 CH3SSH Hydrogen methyl disulfide ch3ssh  
781 HSCH2SH Methanedithiol ch4s2  
782 H2OH2CO water formaldehyde dimer h2oh2co  
783 C2H4OH+ ethylene oxide, protonated c2h4oh+  
784 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
785 CH3CH2O Ethoxy radical ethoxy  
786 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
787 CH3CHOH+ acetaldehyde, protonated ch3choh+  
788 CH3OCH2 methoxymethyl radical ch3och2  
789 NH2CH2OH aminomethanol nh2ch2oh  
790 CH3CH2OH Ethanol etoh  
791 CH3OCH3 Dimethyl ether meome  
792 CH3CH2SH ethanethiol etsh  
793 CH3SCH3 Dimethyl sulfide mesme  
794 CH3SCH3+ dimethyl sulfide cation mesme+  
795 CH3SeCH3 dimethylselenide dmse  
796 CH3OHH2O methanol water dimer ch3ohh2o  
797 H2OCH3OH water methanol dimer h2och3oh  
798 CuF2 Copper difluoride cuf2  
799 ZnF2 Zinc difluoride znf2  
800 CNF iso cyanogen fluoride cnf  
801 FCN Cyanogen fluoride fcn  
802 ClCN chlorocyanogen clcn  
803 BrCN Cyanogen bromide brcn  
804 ICN Cyanogen iodide icn  
805 FBO Boron monofluoride monoxide fbo  
806 BeF2 Beryllium fluoride bef2  
807 MgF2 Magnesium fluoride mgf2  
808 BeCl2 Beryllium chloride becl2  
809 MgCl2 Magnesium dichloride mgcl2  
810 CaCl2 Calcium Chloride cacl2  
811 ZnCl2 Zinc dichloride zncl2  
812 BeBr2 Beryllium bromide bebr2  
813 CaBr2 Calcium dibromide cabr2  
814 CaF2 Calcium difluoride caf2  
815 FCO Carbonyl fluoride fco  
816 FCO+ Carbonyl fluoride cation fco+  
817 ClCO carbonyl monochloride clco  
818 BF2 Boron difluoride radical bf2  
819 FNO Nitrosyl fluoride fno  
820 ClNO Nitrosyl chloride clno  
821 FNS Thionitrosyl fluoride fns  
822 FSN Thiazyl fluoride fsn  
823 OPCl Phosphorus oxychloride opcl  
824 BrNO Nitrosyl bromide brno  
825 INO Nitrosyl iodide ino  
826 CF2 Difluoromethylene cf2  
827 CFCl chlorofluoromethylene cfcl  
828 SiF2 Silicon difluoride sif2  
829 SiF2+ Silicon difluoride cation sif2+  
830 CCl2 dichloromethylene ccl2  
831 CCl2- dichloromethylene anion ccl2-  
832 SiCl2 Dichlorosilylene sicl2  
833 GeF2 Germanium difluoride gef2  
834 GeCl2 Germanium dichloride gecl2  
835 CBr2 dibromomethylene cbr2  
836 FOO Dioxygen monofluoride radical foo  
837 FOO+ Fluorine dioxide cation foo+  
838 ClOO chloroperoxy radical cloo  
839 OClO Chlorine dioxide oclo  
840 OClO- Chlorine dioxide anion oclo-  
841 ClSO Sulfur chloride oxide clso  
842 ClS2 Sulfur chloride cls2  
843 BrOO Bromine dioxide broo  
844 OBrO Bromine dioxide radical obro  
845 NF2 Difluoroamino radical nf2  
846 PF2 Phosphorus difluoride pf2  
847 PF2+ Phosphorus difluoride cation pf2+  
848 FClO chlorosyl fluoride fclo  
849 F2O Difluorine monoxide f2o  
850 ClOF Chlorine hypofluorite clof  
851 SF2 sulfur difluoride sf2  
852 SF2- sulfur difluoride anion sf2-  
853 Cl2O Dichlorine monoxide cl2o  
854 SCl2 Sulfur dichloride scl2  
855 SeF2 Selenium difluoride sef2  
856 BrOCl Bromine hypochlorite brocl  
857 SeCl2 Selenium Dichloride secl2  
858 SBr2 Sulfur dibromide sbr2  
859 SeBr2 Selenium dibromide sebr2  
860 BrOBr Bromine oxide brobr  
861 F3- trifluoride anion f3-  
862 Cl3- trichloride anion cl3-  
863 Br3- tribromide anion br3-  
864 I3- triiodide i3-  
865 SFCl Sulfur chloride fluoride sfcl  
866 HCCF Fluoroacetylene hccf  
867 HCCCl Chloroacetylene hcccl  
868 HCCBr bromoacetylene hccbr  
869 HFCO formyl fluoride hfco  
870 HFCO+ formyl fluoride cation hfco+  
871 COHCl Formyl chloride cohcl  
872 COHBr Formyl bromide cohbr  
873 BHF2 Difluoroborane bhf2  
874 BHCl2 Borane, dichloro- bhcl2  
875 CHCl2 dichloromethyl radical chcl2  
876 CHF2 difluoromethyl radical chf2  
877 CHF2+ difluoromethyl cation chf2+  
878 CHFCl Chlorofluoromethyl radical chfcl  
879 CHFCl+ Chlorofluoromethyl cation chfcl+  
880 CHCl2+ dichloromethyl cation chcl2+  
881 CHBr2 dibromomethyl radical chbr2  
882 HOClO Chlorous acid hoclo  
883 NHF2 difluoramine nhf2  
884 NHCl2 dichloroamine nhcl2  
885 CH2F2 Methane, difluoro- ch2f2  
886 CH2FCl fluorochloromethane ch2fcl  
887 SiH2F2 difluorosilane sih2f2  
888 CH2Cl2 Methylene chloride ch2cl2  
889 CH2BrF Methane, bromofluoro- ch2fbr  
890 CH2BrCl Methane, bromochloro- ch2clbr  
891 CH2FI fluoroiodomethane ch2fi  
892 CH2Br2 dibromomethane ch2br2  
893 CH2ClI chloroiodomethane ch2cli  
894 CH2BrI bromoiodomethane ch2bri  
895 CH2I2 Diiodomethane ch2i2  
896 SiH2Cl2 dichlorosilane sih2cl2  
897 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
898 CH2CHF Ethene, fluoro- ch2chf  
899 CH2CHF+ fluoroethene cation ch2chf+  
900 C2H3Cl Ethene, chloro- ch2chcl  
901 C2H3Br vinyl bromide c2h3br  
902 C2H3I Vinyl iodide c2h3i  
903 CH2FOH fluoromethanol ch2foh  
904 CH3OCl methyl hypochlorite ch3ocl  
905 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
906 CHClCH3 1-chloroethyl radical chclch3  
907 C2H5F fluoroethane c2h5f  
908 CH3CH2Cl Ethyl chloride c2h5cl  
909 CH3SiFH2 fluoromethylsilane ch3sifh2  
910 C2H5Br Ethyl bromide etbr  
911 C2H5I Ethyl iodide c2h5i  
912 KrF2 Krypton difluoride krf2  
913 XeF2 Xenon difluoride xef2  
914 B4H10 Tetraborane(10) b4h10  
915 C4 Carbon tetramer c4  
916 C4H2 Diacetylene c4h2  
917 C2H3CCH 1-Buten-3-yne c2h3cch  
918 C4H4 cyclobutadiene cbd  
919 C4H4 Tetrahedrane c4h4  
920 H2CCCCH2 Butatriene h2cccch2  
921 C4H6 1-Methylcyclopropene c3100047  
922 C4H6 Cyclobutene c822355  
923 C4H6 Methylenecyclopropane c6142730  
924 CH2CCHCH3 1,2-Butadiene butad12  
925 CH2CHCHCH2 1,3-Butadiene c106990  
926 CH3CCCH3 2-Butyne c503173  
927 CHCCH2CH3 1-Butyne c107006  
928 CH3CHCHCH2 methylallyl radical c4h7  
929 C4H8 methylcyclopropane mcp  
930 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
931 CH2CHCH2CH3 1-Butene bute1  
932 CH3CHCHCH3 2-Butene, (E)- bute2e  
933 CH3CHCHCH3 2-Butene, (Z)- bute2z  
934 B(CH3)3 trimethylborane bme3  
935 Al(CH3)3 trimethyl aluminum tma  
936 C(CH3)3 Tert-butyl radical tbutyl  
937 CH2CH(CH3)2 Isobutyl radical isobutyl  
938 CH3CHCH2CH3 2-Butyl radical butyl2  
939 CH3CH(CH3)CH3 Isobutane isobutane  
940 CH3CH2CH2CH3 Butane butane  
941 SiH(CH3)3 trimethylsilane trimsi  
942 Li3N trilithium nitride li3n  
943 C2N2 Cyanogen c2n2  
944 P4 Phosphorus tetramer p4  
945 As4 Arsenic tetramer as4  
946 HCCCN Cyanoacetylene hcccn  
947 H2CNCN cyanamide, methylene ch2ncn  
948 HNCCNH Ethenediimine hnccnh  
949 C3H3N acrylonitrile ch2chcn  
950 CH3N3 methyl azide ch3n3  
951 NH2CCNH2 Diaminoacetylene daa  
952 NH2CH2CN Aminoacetonitrile aan  
953 CH3NHN2+ methyl azide, protonated ch3nhn2+  
954 C2H5CN ethyl cyanide c2h5cn  
955 CH5N3 Guanidine guanidine  
956 C4H6 Bicyclo[1.1.0]butane c157335  
957 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
958 H2NCHCHNH2 diaminoethylene dae  
959 CH6N3+ guanidinium ch6n3+  
960 C3H7N Cyclopropylamine cpram  
961 CH7N3 triaminomethane tam  
962 C3H7N Azetidine azet  
963 C4H8 cyclobutane cbutane  
964 C2H8N2 Ethylenediamine ethdiam  
965 CH3NHNHCH3 dimethyl hydrazine dmh  
966 CH3CH(NH2)CH3 2-Propanamine pram2  
967 N(CH3)3 Trimethylamine trimeam  
968 NH2CH2CH2CH3 1-Propanamine pram1  
969 P(CH3)3 trimethylphosphine tmp  
970 N(SiH3)3 trisilylamine tsa  
971 As(CH3)3 trimethyl arsine tmas  
972 (CH3)3NH+ protonated trimethyl amine ptma  
973 C3H7NH3+ n-propylamine, protonated c3h7nh2  
974 Li2O2 dilithium dioxide li2o2  
975 Na2O2 disodium dioxide na2o2  
976 K2O2 dipotassium dioxide k2o2  
977 C3O Tricarbon monoxide c3o  
978 B2O2 Diboron dioxide b2o2  
979 ONNO NO dimer onno  
980 S2N2 Disulfur dinitride s2n2  
981 CO3 Carbon trioxide co3  
982 CO3-- carbonate co3--  
983 CS3-- Carbonotrithioate cs3--  
984 NO3 Nitrogen trioxide no3  
985 NO3- nitrate anion no3-  
986 SO3 Sulfur trioxide so3  
987 SO3-- Sulfate dianion so3--  
988 SeO3 selenium trioxide seo3  
989 S4 Sulfur tetramer s4  
990 TeO3 Tellurium trioxide teo3  
991 HCO3- bicarbonate anion hco3-  
992 HNO3 Nitric acid hno3  
993 HSO3 Hydroxysulfonyl radical hso3  
994 NH2NO2 nitramide nh2no2  
995 C2H2CO cyclopropenone c2h2co  
996 C3H2O Propadienal c3h2o  
997 HCCCHO 2-propynal hcccho  
998 C2H2O2 Ethanedial c2h2o2  
999 C2H2O2+ Ethanedial cation c2h2o2+  
1000 H2CO3 Carbonic acid h2co3  
1001 H2CS3 thiocarbonic acid h2cs3  
1002 H2NO3+ Nitric Acid, Protonated h2no3+  
1003 H2SO3 Sulfurous acid h2so3  
1004 C2H3NO Nitrosoethylene c2h3no  
1005 CH3NCO methylisocyante ch3nco  
1006 HOCH2CN cyanomethanol hoch2cn  
1007 CH3COO- acetate anion ch3coo-  
1008 CH3NO2 Methane, nitro- ch3no2  
1009 CH3ONO Methyl nitrite ch3ono  
1010 NH2COOH Carbamic acid nh2cooh  
1011 H3BO3 Boric acid h3bo3  
1012 H3AlO3 Aluminum hydroxide h3alo3  
1013 H3CO3+ carbonic acid, protonated h3co3+  
1014 C3H4O 2-Propyn-1-ol c107197  
1015 C3H4O allenol c9000071  
1016 C3H4O Cyclopropanone cpone  
1017 C3H4O Methylketene c6004440  
1018 CH2CHCHO Acrolein c3h4o  
1019 NH2CONH2 Urea urea  
1020 NH2CONH2+ Urea cation urea+  
1021 NH2CSNH2 Thiourea thiourea  
1022 C2H4O2 1,3-dioxetane c2h4o2  
1023 CH3COOH Acetic acid ch3cooh  
1024 CH3OCHO methyl formate ch3ocho  
1025 CHOCH2OH hydroxy acetaldehyde haa  
1026 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1027 NH3COOH+ protonated Carbamic acid nh3cooh+  
1028 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1029 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1030 HCOOHH2O Formic acid water dimer hcoohh2o  
1031 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1032 CH3COCH2 Acetonyl radical ch3coch2  
1033 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1034 CH3C(OH)=NH Ethaninidic acid eia  
1035 CH3CHNOH Acetaldoxime acetaldoxime  
1036 CH3CONH2 Acetamide acetamide  
1037 HCONHCH3 N-methylformamide nmfa  
1038 CH3CSNH2 Ethanethioamide ch3csnh2  
1039 CH5N2O+ urea, N-protonated ch4n2o+  
1040 H2NCOHNH2+ urea, protonated ureah+  
1041 C2H5OO ethylperoxy radical c2h5oo  
1042 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1043 C3H5OH Cyclopropanol cproh  
1044 C3H6O 2-Propen-1-ol c107186  
1045 C3H6O Acetone enol enol  
1046 C3H6O Oxetane oxetane  
1047 C3H6O Propylene oxide prox  
1048 CH3CH2CHO Propanal propanal  
1049 CH3COCH3 Acetone acetone  
1050 CH3COCH3- acetone anion ch3coch3-  
1051 C3H6S Thietane thietane  
1052 C3H6S Thiirane, methyl- methiirane  
1053 CH3CSCH3 Thioacetone ch3csch3  
1054 C2H6O2 1,2-Ethanediol ethdiol  
1055 CH3OOCH3 dimethylperoxide dmp  
1056 CH3SOCH3 Dimethyl sulfoxide dmso  
1057 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1058 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1059 CH3COHCH3+ acetone, protonated acetoneh+  
1060 HOCH2CH2NH2 monoethanolamine mea  
1061 C3H7OH 1-Propanol proh  
1062 CH3CHOHCH3 Isopropyl alcohol isoproh  
1063 CH3OC2H5 Ethane, methoxy- etome  
1064 C3H7SH 1-Propanethiol prsh  
1065 CH3CHSHCH3 2-Propanethiol isoprsh  
1066 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1067 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1068 Li2F2 Lithium fluoride dimer li2f2  
1069 Na2F2 Sodium Fluoride Dimer na2f2  
1070 Na2Cl2 Disodium dichloride na2cl2  
1071 C2F2 difluoroacetylene c2f2  
1072 C2Cl2 dichloroacetylene c2cl2  
1073 FNO2 Nitryl fluoride fno2  
1074 FONO Nitrosyl hypofluorite fono  
1075 ClNO2 Nitryl chloride clno2  
1076 ClONO chlorine nitrite clono  
1077 BrONO Bromine nitrite brono  
1078 N2F2 (Z)-Difluorodiazene n2f2_z  
1079 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1080 CF2O Carbonic difluoride f2co  
1081 CF2O+ Carbonic difluoride cation f2co+  
1082 COFCl Carbonic chloride fluoride cofcl  
1083 CCl2O Phosgene cl2co  
1084 Cl2CS Thiophosgene cl2cs  
1085 COBr2 Carbonic dibromide cobr2  
1086 BClF2 Chlorodifluoroborane bclf2  
1087 AlF2Cl Aluminum chloride difluoride alclf2  
1088 ScF3 Scandium trifluoride ScF3  
1089 AlFCl2 Aluminum dichloride fluoride alcl2f  
1090 BCl3 Borane, trichloro- bcl3  
1091 BCl3+ Boron Trichloride cation bcl3+  
1092 GaF3 Gallium trifluoride gaf3  
1093 AlCl3 Aluminum trichloride alcl3  
1094 GaCl3 Gallium trichloride gacl3  
1095 BBr3 Boron tribromide bbr3  
1096 AlBr3 Aluminum Bromide albr3  
1097 ClO3 Chlorine trioxide clo3  
1098 ClO3- chlorate anion clo3-  
1099 BrO3- Bromate anion bro3-  
1100 CF3 Trifluoromethyl radical cf3  
1101 CF2Cl difluorochloromethyl radical cf2cl  
1102 SiF3 Silicon trifluoride radical sif3  
1103 SiF3+ Silicon trifluoride cation sif3+  
1104 CFCl2 dichlorofluoromethyl radical cfcl2  
1105 CCl3 Trichloromethyl radical ccl3  
1106 SiCl3 trichlorosilyl radical sicl3  
1107 CBr3 tribromomethyl radical cbr3  
1108 FOOF Perfluoroperoxide foof  
1109 ClO2F Chloryl fluoride clo2f  
1110 F2SO Thionyl Fluoride f2so  
1111 ClOOCl Dichlorine dioxide cloocl  
1112 FSSF Difluorodisulfane fssf  
1113 S2F2 Thio-thionyl fluoride s2f2  
1114 SOCl2 thionyl chloride socl2  
1115 SSCl2 Thiothionyl chloride sscl2  
1116 SeOCl2 selenium oxychloride seocl2  
1117 NF3 Nitrogen trifluoride nf3  
1118 PF3 Phosphorus trifluoride pf3  
1119 NCl3 nitrogen trichloride ncl3  
1120 AsF3 Arsenic trifluoride asf3  
1121 PCl3 Phosphorus trichloride pcl3  
1122 SbF3 Antimony Trifluoride sbf3  
1123 AsCl3 Arsenous trichloride ascl3  
1124 SbCl3 Antimony Trichloride sbcl3  
1125 NBr3 Nitrogen Tribromide nbr3  
1126 PBr3 Phosphorus tribromide pbr3  
1127 AsBr3 Arsenic tribromide asbr3  
1128 NI3 Nitrogen triiodide ni3  
1129 PI3 Phosphorus triiodide pi3  
1130 ClSSCl Disulfur dichloride s2cl2  
1131 SF3 Sulfur trifluoride sf3  
1132 ClF3 Chlorine trifluoride clf3  
1133 BrF3 Bromine trifluoride brf3  
1134 IF3 iodone trifluoride if3  
1135 HClO3 Chloric Acid hclo3  
1136 CHF3 Methane, trifluoro- chf3  
1137 CHF2Cl difluorochloromethane chf2cl  
1138 SiHF3 trifluorosilane sihf3  
1139 CHFCl2 fluorodichloromethane chfcl2  
1140 CDCl3 trichloromethane-d cdcl3  
1141 CHCl3 Chloroform chcl3  
1142 CHBrF2 Methane, bromodifluoro- chbrf2  
1143 SiHCl3 Trichlorosilane sihcl3  
1144 CHFClBr fluorochlorobromomethane chfclbr  
1145 CHBrCl2 Methane, bromodichloro- chbrcl2  
1146 CHF2I difluoroiodomethane chf2i  
1147 CHBr2F dibromofluoromethane chbr2f  
1148 CHFClI fluorochloroiodomethane chfcli  
1149 CHCl2I dichloroiodomethane chcl2i  
1150 CHClBr2 Methane, dibromochloro- chclbr2  
1151 CHBr3 bromoform chbr3  
1152 CHI3 Iodoform chi3  
1153 NF3H+ protonated nitrogen trifluoride nf3h+  
1154 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1155 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1156 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1157 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1158 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1159 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1160 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1161 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1162 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1163 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1164 C2H2Br2 1,1-dibromoethene c2h2br2  
1165 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1166 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1167 CH2FCHO Fluoroacetaldehyde ch2fcho  
1168 CH3COF Acetyl fluoride ch3cof  
1169 CH2ClCHO chloroacetaldehyde ch2clcho  
1170 CH3COCl Acetyl Chloride ch3cocl  
1171 C2H4F2 1,2-difluoroethane c2h4f2  
1172 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1173 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1174 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1175 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1176 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1177 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1178 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1179 CH2CFCH3 2-fluoropropene 2fpro  
1180 CH2CHCH2F Allyl Fluoride allylf  
1181 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1182 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1183 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1184 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1185 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1186 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1187 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1188 CH2FCH2CH3 1-Fluoropropane prf1  
1189 CH3CHFCH3 2-Fluoropropane prf2  
1190 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1191 CH3CHClCH3 Propane, 2-chloro- prcl2  
1192 CH3CH2CH2Br n-propyl bromide prbr  
1193 CH3CHBrCH3 i-propyl bromide iprbr  
1194 C3H9O+ trimethyl oxonium cation c3h9o+  
1195 B5H9 pentaborane9 b5h9  
1196 C5H4 pentatetraene ptrene  
1197 C5H5 cyclopentadienyl radical c5h5  
1198 C5H5- cylopentadienyl anion c5h5-  
1199 C5H6 1,3-Cyclopentadiene c542927  
1200 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1201 C5H6 3-Penten-1-yne, (E)- c2004695  
1202 C5H6 3-Penten-1-yne, (Z)- c1574409  
1203 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1204 C5H6 Cyclopropylacetylene c6746947  
1205 C5H6 Propellane propellane  
1206 C5H7 1,3-pentadienyl radical pdyl  
1207 C5H7 cyclopentenyl radical cpyl  
1208 C5H8 1,2-Butadiene, 3-methyl- c598254  
1209 C5H8 1,2-Pentadiene c591957  
1210 C5H8 1,3-Butadiene, 2-methyl- c78795  
1211 C5H8 1,3-Pentadiene, (E)- c2004708  
1212 C5H8 1,3-Pentadiene, (Z)- c1574410  
1213 C5H8 1,4-Pentadiene c591935  
1214 C5H8 1-pentyne a1pentyne  
1215 C5H8 2,3-Pentadiene c591968  
1216 C5H8 Bicyclo[1.1.1]pentane bcp  
1217 C5H8 Cyclobutane, methylene- c1120565  
1218 C5H8 Cyclopentene c142290  
1219 C5H8 Ethenylcyclopropane c693867  
1220 CH3CCCH2CH3 2-Pentyne 2pentyne  
1221 C5H10 1-Butene, 2-methyl- c563462  
1222 C5H10 2-Butene, 2-methyl- c513359  
1223 C5H10 2-Pentene, (E)- c646048  
1224 C5H10 2-Pentene, (Z)- c627203  
1225 C5H10 Cyclopentane c287923  
1226 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1227 CH2CHCH2CH2CH3 1-pentene pentene  
1228 C5H11 2-Methylbut-2-yl radical c4348350  
1229 C5H12 Butane, 2-methyl- buta2  
1230 C5H12 Pentane pentane  
1231 C5H12 Propane, 2,2-dimethyl- neopentane  
1232 Si(CH3)4 tetramethylsilane tms  
1233 N2O3 Dinitrogen trioxide n2o3  
1234 C3H2N2 Malononitrile c3h2n2  
1235 CH2N4 1H-Tetrazole 1htz  
1236 C3H3N2 imidazolyl radical im  
1237 C3H3N2- imidizolyl anion im-  
1238 C2H3N3 1H-1,2,4-Triazole c288880  
1239 C4H4N pyrrolide radical c4h4n  
1240 C4H4N- pyrrolide anion c4h4n-  
1241 C3H4N2 1H-Imidazole 1himidaz  
1242 C3H4N2 1H-Pyrazole 1hpyraz  
1243 C3H4N2 2H-Imidazole imid2h  
1244 C3H4N2 4H-Imidazole imid4h  
1245 C4H5N (E)-2-Butenenitrile c627269  
1246 C4H5N (Z)-2-Butenenitrile c1190767  
1247 C4H5N 2H-pyrrole pyrrole2  
1248 C4H5N 3H-pyrrole pyrrole3  
1249 C4H5N Cyclopropanecarbonitrile c5500210  
1250 C4H5N Pyrrole pyrrole  
1251 CH2CHCH2CN Allylcyanide ch2chch2cn  
1252 C4H6N+ pyrrole, alpha-protonated appyr  
1253 C4H6N+ pyrrole, beta-protonated bppyr  
1254 C4H6N+ pyrrole, protonated ppyr  
1255 C3H6N2 3-Aminopropionitrile c151188  
1256 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1257 CH3CH2CH2CN Butanenitrile c109740  
1258 C5H8 Bicyclo[2.1.0]pentane c185944  
1259 C5H8 Spiropentane c157404  
1260 C4H9N Cyclobutylamine cbam  
1261 C4H9N Pyrrolidine pyrrolidine  
1262 C3H10N2 1,2-Diaminopropane diampr12  
1263 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1264 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1265 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1266 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1267 NH(C2H5)2 diethylamine dea  
1268 NC4H12+ tetramethyl ammonium cation nc4h12+  
1269 C3O2 Carbon suboxide c3o2  
1270 B2O3 diboron trioxide b2o3  
1271 MgCO3 Magnesium Carbonate mgco3  
1272 BeCO3 Beryllium Carbonate beco3  
1273 CaCO3 Calcium Carbonate caco3  
1274 ONONO Nitrosyl nitrite onono  
1275 PO4--- phosphate po4---  
1276 SO4-- sulfate so4--  
1277 HOONO2 peroxy nitric acid hoono2  
1278 HSO4- bisulfate anion hso4-  
1279 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1280 C3H2O2 Propiolic acid c3h2o2  
1281 CHOCOOH oxo acetic acid oaa  
1282 CHOOCHO diformyl ether choocho  
1283 H2SO4 Sulfuric acid h2so4  
1284 H2SeO4 Selenic acid h2seo4  
1285 C3H3NO Isoxazole isox  
1286 C3H3NO Oxazole oxazole  
1287 C3H3NS Thiazole thiazole  
1288 CH3C(O)OO acetyl peroxy radical ch3coo2  
1289 CH3NO3 Methyl nitrate ch3no3  
1290 H3PO4 Phosphoric Acid h3po4  
1291 C4H4O Furan furan  
1292 C4H4O+ Furan cation furan+  
1293 CH3COCCH 3-butyn-2-one c1423605  
1294 C4H4S Thiophene furans  
1295 C4H4Se selenophene c4h4se  
1296 C3H4O2 β–Propiolactone beta  
1297 C3H4O2 2-Propenoic acid propenoic2  
1298 C3H4O2 Methyl glyoxal megly  
1299 C3H4O2 propanedial propanedial  
1300 C3H4O2 propenalol propenalol  
1301 HOCHCCHOH allenediol aldiol  
1302 C2H4O3 1,2,3-trioxolane c2h4o3  
1303 C2H4O3 trioxolane124 triox  
1304 HOCH2COOH Hydroxyacetic acid hac  
1305 CH2CHCONH2 Acrylamide c79061  
1306 CH3OCH2CN Methoxyacetonitrile c1738369  
1307 CH5N3S Hydrazinecarbothioamide c79196  
1308 H2NCH2COOH Glycine glycine  
1309 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1310 C4H6O cis-2-butenal butenal2c  
1311 C4H6O Cyclobutanone cbutone  
1312 C4H6O Furan, 2,3-dihydro- furan23h  
1313 C4H6O Furan, 2,5-dihydro- furan25h  
1314 CH2CHOCHCH2 Vinyl ether vinylether  
1315 CHOCHCHCH3 2-Butenal butenal2  
1316 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1317 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1318 CH2CHSCHCH2 Divinyl sulfide divis  
1319 C2H6N2O Urea, methyl- c598505  
1320 C3H6O2 1,3-Dioxolane dioxolane  
1321 CH3CH2COOH Propanoic Acid propanoic  
1322 CH3COOCH3 methyl acetate aame  
1323 HCOOC2H5 Ethyl formate faee  
1324 C2H6O2S Dimethyl sulfone c67710  
1325 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1326 C3H7NO dimethylformamide dmf  
1327 C3H7NO Propanamide propanam  
1328 C2H3OC2H5 Ethene, ethoxy- c109922  
1329 C4H8O Cyclobutanol c2919235  
1330 C4H8O Furan, tetrahydro- thf  
1331 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1332 CH3COCH2CH3 2-Butanone buta2one  
1333 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1334 CHOCH2CH2CH3 Butanal butanal  
1335 C4H8S Thiophene, tetrahydro- tht  
1336 C3H8O2 1,3-Propanediol c504632  
1337 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1338 C3H8O2 Methane, dimethoxy- c109875  
1339 C3H8O2 Propylene glycol c57556  
1340 C3H8S2 1,3-Propanedithiol c109808  
1341 C4H10O 1-Butanol butanol1  
1342 C4H10O 1-Propanol, 2-methyl- c78831  
1343 C4H10O 2-Butanol, (.+/-.)- butanol2  
1344 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1345 C4H10O Ethoxy ethane etoet  
1346 C4H10O Methyl propyl ether meopr  
1347 C4H10O Propane, 2-methoxy- c598538  
1348 C4H10O+ 1-Butanol cation butanol1+  
1349 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1350 C2H5SC2H5 Diethyl sulfide etset  
1351 C4H9SH 1-Butanethiol bush  
1352 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1353 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1354 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1355 FNO3 Fluorine nitrate fno3  
1356 ClONO2 Chlorine nitrate clono2  
1357 BrONO2 Bromine nitrate brono2  
1358 TiCl4 Titanium tetrachloride ticl4  
1359 ClO4- perchlorate anion clo4-  
1360 BF4- tetrafluoroboron anion bf4-  
1361 ClFO3 Perchloryl fluoride clfo3  
1362 SO2F2 Sulfuryl fluoride so2f2  
1363 SO2Cl2 Sulfuryl chloride so2cl2  
1364 F3NO Nitrogen trifluoride oxide f3no  
1365 F3PO Phosphoryl fluoride pf3o  
1366 Cl3PO Phosphoryl chloride pcl3o  
1367 CF4 Carbon tetrafluoride cf4  
1368 CF3Cl Methane, chlorotrifluoro- cf3cl  
1369 SiF4 Silicon tetrafluoride sif4  
1370 CF2Cl2 difluorodichloromethane cf2cl2  
1371 TiF4 Titanium tetrafluoride tif4  
1372 CFCl3 Trichloromonofluoromethane cfcl3  
1373 CF3Br Bromotrifluoromethane cf3br  
1374 GeF4 Germanium tetrafluoride gef4  
1375 CCl4 Carbon tetrachloride ccl4  
1376 CCl4+ Carbon tetrachloride cation ccl4+  
1377 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1378 SiCl4 Silane, tetrachloro- sicl4  
1379 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1380 CF3I trifluoroiodomethane cf3i  
1381 CBrCl3 Methane, bromotrichloro- cbrcl3  
1382 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1383 GeCl4 Germanium Tetrachloride gecl4  
1384 CBr2ClF dibromochlorofluoromethane cbr2clf  
1385 CBr2Cl2 dibromodichloromethane cbr2cl2  
1386 CCl3I trichloroiodomethane ccl3i  
1387 CFBr3 fluorotribromomethane cfbr3  
1388 CFClBrI fluorochlorobromoiodomethane cfclbri  
1389 CBr3Cl tribromochloromethane cbr3cl  
1390 CF2I2 difluorodiiodomethane cf2i2  
1391 CBr4 Carbon tetrabromide cbr4  
1392 CCl2I2 dichlorodiiodomethane ccl2i2  
1393 SiBr4 Silicon tetrabromide sibr4  
1394 CBr3I tribromoiododmethane cbr3i  
1395 GeBr4 Germanium tetrabromide gebr4  
1396 CI4 tetraiodomethane ci4  
1397 SiI4 silicon tetraiodide sii4  
1398 ClOF3 Chlorine trifluoride oxide clof3  
1399 SF4 Sulfur tetrafluoride sf4  
1400 SeF4 Selenium tetrafluoride sef4  
1401 SCl4 Sulfur tetrachloride scl4  
1402 C2HF3 Trifluoroethylene c2hf3  
1403 CHClCCl2 Trichloroethylene chclccl2  
1404 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1405 HClO4 perchloric acid hclo4  
1406 HSO3F Fluorosulfonic acid hso3f  
1407 CF3OH trifluoromethanol cf3oh  
1408 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1409 CHClCCHCl 1,3-dichloroallene chclcchcl  
1410 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1411 CHCl2CHO dichloroacetaldehyde chcl2cho  
1412 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1413 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1414 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1415 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1416 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1417 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1418 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1419 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1420 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1421 NH3BCl3 Amminetrichloroboron nh3bcl3  
1422 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1423 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1424 C3H5ClO Oxirane, (chloromethyl)- c106898  
1425 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1426 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1427 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1428 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1429 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1430 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1431 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1432 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1433 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1434 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1435 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1436 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1437 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1438 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1439 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1440 C4H9F 1-fluorobutane butaf1  
1441 CH3CHFCH2CH3 2-fluorobutane butaf2  
1442 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1443 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1444 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1445 XeF4 Xenon tetrafluoride xef4  
1446 C2H2N2O Furazan furazan  
1447 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1448 NH3BF3 Amminetrifluoroboron nh3bf3  
1449 C6H2 hexatriyne c6h2  
1450 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1451 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1452 C6H4 Benzyne benzyne  
1453 C6H5 phenyl phenyl  
1454 C6H5- phenyl anion phenyl-  
1455 C6H6 Prismane prismane  
1456 C6H6 1,2,4,5-Hexatetraene ht1245  
1457 C6H6 2,4-Hexadiyne hexadiyne  
1458 C6H6 3,4-Dimethylenecyclobutene cb34m  
1459 C6H6 Benzene benzene  
1460 C6H6 Benzvalene bv  
1461 C6H6 Dewar Benzene dewar  
1462 C6H6 Hexa-1,5-diene-3-yne hdy153  
1463 C6H6 Trimethylenecycopropane tmcp  
1464 C6H6+ Benzene cation c6h6+  
1465 C6H7+ benzene, protonated c6h7+  
1466 C6H8 (E)-hexa-1,3,5-triene c821078  
1467 C6H8 (E)-hexa-2,3,4-triene c59660650  
1468 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1469 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1470 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1471 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1472 C6H8 3-Methylenecyclopentene c930267  
1473 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1474 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1475 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1476 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1477 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1478 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1479 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1480 C6H10 1,5-Hexadiene c592427  
1481 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1482 C6H10 1-Hexyne hexyne1  
1483 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1484 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1485 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1486 C6H10 2-Hexyne c764352  
1487 C6H10 3-Hexyne hexyne3  
1488 C6H10 cyclohexene cyclohexene  
1489 C6H10 Cyclopentene, 1-methyl- c693890  
1490 C6H10 Cyclopentene, 3-methyl- c1120623  
1491 C6H10 Cyclopentene, 4-methyl- c1759815  
1492 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1493 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1494 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1495 C6H12 (E)-2-Hexene e2hexene  
1496 C6H12 (E)-3-methylpent-2-ene c616126  
1497 C6H12 (E)-hex-3-ene e3hexene  
1498 C6H12 (Z)-3-methylpent-2-ene c922623  
1499 C6H12 (Z)-hex-2-ene z2hexene  
1500 C6H12 (Z)-hex-3-ene z3hexene  
1501 C6H12 2,3-dimethylbut-1-ene c563780  
1502 C6H12 2,3-dimethyl-but-2-ene tmeet  
1503 C6H12 3-methylenepentane c760214  
1504 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1505 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1506 C6H12 Cyclohexane cyclohexane  
1507 C6H12 Cyclopentane, methyl- c96377  
1508 C6H12 Ethylcyclobutane c4806615  
1509 C6H12 hex-1-ene hexene1  
1510 C6H14 Butane, 2,2-dimethyl- buta22  
1511 C6H14 Butane, 2,3-dimethyl- buta23  
1512 C6H14 Hexane hexane  
1513 C6H14 Pentane, 2-methyl- penta2  
1514 C6H14 Pentane, 3-methyl- penta3  
1515 C4N2 2-Butynedinitrile c4n2  
1516 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1517 C4H2N2 Fumaronitrile c4h2n2  
1518 C2H2N4 sym-tetrazine ttz  
1519 C3H3N3 1,3,5-Triazine triazine135  
1520 CH3N5 5-Aminotetrazole c4418615  
1521 C4H4N2 1,3-Diazine diazine13  
1522 C4H4N2 Pyrazine pyrazine  
1523 C4H4N2 Pyridazine pyridazine  
1524 C4H4N2 Succinonitrile c110612  
1525 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1526 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1527 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1528 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1529 C5H5N E-2,4-pentadienenitrile bdcn  
1530 C5H5N Pyridine pyridine  
1531 B3N3H6 borazine borazine  
1532 C6H6 Fulvene fulvene  
1533 C5H6N+ Pyridinium c5h6n  
1534 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1535 C5H7N (E)-2-Pentenenitrile c26294984  
1536 C5H7N (E)-3-Pentenenitrile c16529661  
1537 C5H7N (Z)-2-Pentenenitrile c25899507  
1538 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1539 C5H7N Cyclobutanecarbonitrile c4426113  
1540 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1541 C5H9N Butanenitrile, 2-methyl- c18936179  
1542 C5H9N Pentanenitrile c110598  
1543 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1544 C6H10 Bicyclo[3.1.0]hexane c285585  
1545 C5H11N Cyclopentanamine cypentam  
1546 C5H11N Piperidine piper  
1547 C4H12N2 1,2-Butanediamine c4426486  
1548 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1549 Li2CO3 Lithium Carbonate li2co3  
1550 Na2CO3 Sodium Carbonate na2co3  
1551 C2O4-- oxalate anion c2o4  
1552 MgSO4 Magnesium Sulfate mgso4  
1553 N2O4 Dinitrogen tetroxide n2o4  
1554 C3H2O3 vinylene carbonate vica  
1555 C2H2O4 Oxalic Acid oxalic  
1556 C2H3NO3 Oxamic acid oxamic  
1557 C4H4O2 2(5H)-Furanone furanone  
1558 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1559 C2H4N2O2 Oxalamide oxalamide  
1560 C2H4N2S2 Ethanedithioamide c79403  
1561 C2H4CO3 Ethylene carbonate etco3  
1562 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1563 C3H4S3 1,3-Dithiolane-2-thione c822388  
1564 C2H4O4 Formic acid dimer fadimer  
1565 C4H5NO 3-Methylisoxazole isox3m  
1566 C4H5NO Isoxazole, 5-methyl- c5765446  
1567 C4H5NS 4-Methylthiazole c693958  
1568 C2H5NO3 Nitric acid, ethyl ester c625581  
1569 C5H6O 2H-Pyran pyran2  
1570 C5H6O 2-methylfuran furan2m  
1571 C5H6O 3-Methylfuran furan3m  
1572 C5H6O Pentadienal pdal  
1573 C5H6S Thiophene, 2-methyl- c554143  
1574 C5H6S Thiophene, 3-methyl- c616444  
1575 C4H6O2 γ–Butyrolactone c96480  
1576 C4H6O2 2,3-Butanedione c431038  
1577 C4H6O2 2-Propenoic acid, methyl ester c96333  
1578 C4H6O2 Crotonic Acid crot  
1579 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1580 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1581 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1582 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1583 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1584 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1585 C4H6OS Vinyl sulfoxide c1115157  
1586 CH6N4S Carbonothioic dihydrazide thiacarb  
1587 C2H6N2O2 (E)-Azodioxymethane c37765154  
1588 C2H6N2O2 Dimethylnitroamine c4164287  
1589 C3H6O3 1,3,5-Trioxane trioxane  
1590 C3H6S3 1,3,5-Trithiane c3h6s3  
1591 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1592 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1593 C4H7NO 2-Pyrrolidinone c616455  
1594 C4H7NO Ethoxyacetonitrile etoaccn  
1595 C4H7NO Methacrylamide c79390  
1596 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1597 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1598 C3H7ONO Propyl nitrite prono  
1599 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1600 CH3CH(NH2)COOH Alanine alanine  
1601 CH3NHCH2COOH Sarcosine sarcosine  
1602 NH2CH2CH2COOH β–alanine betaalanine  
1603 NH2COOC2H5 Urethane urethane  
1604 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1605 C5H8O Cyclopentanone c120923  
1606 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1607 C5H8O Methyl cyclopropyl ketone c765435  
1608 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1609 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1610 NH2CONHC2H5 Urea, ethyl- c625525  
1611 C4H8O2 1,3-Dioxane dioxan13  
1612 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1613 C4H8O2 1,4-Dioxane dioxan14  
1614 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1615 C4H8O2 Ethyl acetate c141786  
1616 C4H8OS s-Ethyl thioacetate c625605  
1617 C3H8O3 1,2,3-Propanetriol glycerin  
1618 C3H8O2S (Methylsulfonyl)ethane c594434  
1619 C4H9NO Butanamide c541355  
1620 C4H9NO Propanamide, 2-methyl- c563837  
1621 C5H10O 2-Butanone, 3-methyl- c563804  
1622 C5H10O 2H-Pyran, tetrahydro- c142687  
1623 C5H10O 2-methylbutyraldehyde 2meba  
1624 C5H10O 2-Pentanone mpk  
1625 C5H10O 3-Pentanone dek  
1626 C5H10O Cyclopentanol c96413  
1627 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1628 C5H10O Pentanal pal  
1629 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1630 C5H10S 3-Ethylthio-1-propene c5296628  
1631 C5H10S Cyclopentanethiol c1679078  
1632 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1633 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1634 C4H10O2 1,1-Dimethoxyethane c534156  
1635 C4H10O2 1,3-Butanediol budiol13  
1636 C4H10O2 1,4-Butanediol budiol14  
1637 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1638 C4H10OS Diethyl sulfoxide c70291  
1639 C4H10S2 1,4-Butanedithiol budisl14  
1640 C4H11NO Diethylhydroxylamine c3710847  
1641 C5H12O 1-Butanol, 2-methyl- c137326  
1642 C5H12O 1-Butanol, 3-methyl- c123513  
1643 C5H12O 1-Pentanol pentanol1  
1644 C5H12O 2-Butanol, 3-methyl- c598754  
1645 C5H12O 2-Pentanol peol2  
1646 C5H12O 3-Pentanol pentan3ol  
1647 C5H12O Butane, 1-methoxy- meobu  
1648 C5H12O Propane, 1-ethoxy- proet  
1649 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1650 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1651 C5H12S 1-Butanethiol, 3-methyl- c541311  
1652 C5H12S 1-Pentanethiol c110667  
1653 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1654 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1655 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1656 C5H12S Butane, 1-(methylthio)- c628295  
1657 C5H12S Ethyl propyl sulfide c4110503  
1658 C5H12S Propane, 2-(ethylthio)- c5145993  
1659 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1660 C4F2 difluorobutadiyne c4f2  
1661 ClCOClCO Oxalyl chloride oxcl  
1662 CF3CN Acetonitrile, trifluoro- cf3cn  
1663 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1664 B2F4 Diboron tetrafluoride b2f4  
1665 B2Cl4 Diboron tetrachloride b2cl4  
1666 C2F4 Tetrafluoroethylene c2f4  
1667 C2F4+ Tetrafluoroethylene cation c2f4+  
1668 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1669 CF2CCl2 difluorodichloroethylene cf2ccl2  
1670 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1671 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1672 C2FCl3 fluorotrichloroethene c2fcl3  
1673 C2Cl4 Tetrachloroethylene c2cl4  
1674 C2Br4 tetrabromoethene c2br4  
1675 CF3OF Trifluoromethylhypofluorite cf3of  
1676 SiF5- silicon pentafluoride anion sif5-  
1677 SOF4 Sulfur tetrafluoride oxide sof4  
1678 PF5 Phosphorus pentafluoride pf5  
1679 AsF5 Arsenic pentafluoride asf5  
1680 PCl5 Phosphorus pentachloride pcl5  
1681 SF5 Sulfur pentafluoride sf5  
1682 SF5+ pentafluoro sulfur cation sf5+  
1683 SbCl5 Antimony pentachloride sbcl5  
1684 BrF5 bromine pentafluoride brf5  
1685 ClF5 chlorinepentafluoride clf5  
1686 IF5 pentafluoroiodine if5  
1687 CF3CHO trifluoroacetaldehyde cf3cho  
1688 CCl3CHO trichloroacetaldehyde ccl3cho  
1689 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1690 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1691 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1692 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1693 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1694 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1695 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1696 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1697 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1698 CF3COOH trifluoroacetic acid cf3cooh  
1699 C4H3ClO Furan, 2-chloro fur2cl  
1700 C4H3ClO Furan,3-chloro fur3cl  
1701 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1702 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1703 C4H8Cl2 1,4-Dichlorobutane c110565  
1704 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1705 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1706 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1707 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1708 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1709 C5H11Cl Pentane, 1-chloro- pencl1  
1710 C4H8O2 Butanoic acid bua  
1711 C6H5CH2 benzyl radical benzyl  
1712 C7H7 cycloheptatrienyl radical c7h7  
1713 C7H7+ cycloheptatrienyl cation c7h7+  
1714 C6H5CH3 toluene toluene  
1715 C7H8 cycloheptatriene cht  
1716 C7H8 Norbornadiene norbor  
1717 C7H8 Quadricyclane qucy  
1718 C7H12 Norbornane nor  
1719 C7H14 cycloheptane c7h14  
1720 C7H16 2-methylhexane 2mhex  
1721 C7H16 3-methylhexane hex3m  
1722 C7H16 heptane heptane  
1723 CH(CN)3 tricyanomethane mecn3  
1724 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1725 C6H7N 2-Methylpyridine mp  
1726 C6H5NH2 aniline aniline  
1727 C6H15N triethylamine tea  
1728 N2O5 Dinitrogen pentoxide n2o5  
1729 C4H2O3 Maleic Anhydride malan  
1730 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1731 C5H4O2 furfural furfural  
1732 C6H5O phenoxy radical phenoxy  
1733 C5H5NO 2(1H)-Pyridinone c72762006  
1734 C5H5NO 2(3H)-Pyridinone c9000048  
1735 C5H5NO 2(5H)-Pyridinone c9000037  
1736 C5H5NO 2-Pyridinol c109104  
1737 C5H5NO 3(2H)-Pyridinone c9000004  
1738 C5H5NO 3(4H)-Pyridinone c9000026  
1739 C5H5NO 3(6H)-Pyridinone c9000015  
1740 C5H5NO 3-Pyridinol c109002  
1741 C5H5NO 4(1H)-Pryidinone c9000060  
1742 C5H5NO 4(3H)-Pryidinone c9000059  
1743 C5H5NO 4-Pyridinol c626642  
1744 C6H5OH phenol phenol  
1745 C6H6O 2,4-Cyclohexadienone c24599573  
1746 C6H6O 2,5-Cyclohexadienone c5664335  
1747 C6H5SH Benzenethiol phsh  
1748 HO2CCHNH2CH2OH Serine serine  
1749 C5H8O2 Acetylacetone acac  
1750 C4H8O2S Sulfolane sulfolane  
1751 C7H10 Norbornene norbornene  
1752 CH(C2H3)3 trivinyl methane tvm  
1753 C6H10O cyclohexanone chexo  
1754 C6H12O hexanal c6h12o  
1755 C6H12O Oxepane oxepane  
1756 C3H7OC3H7 di-n-propyl ether propr  
1757 F2CCCF2 tetrafluoroallene pfa  
1758 CF3COO- trifluoro acetate anion cf3coo-  
1759 CF3COF trifluoroacetyl fluoride cf3cof  
1760 CF3COCl trifluoroacetyl chloride cf3cocl  
1761 PF6 Hexafluorophosphate neutral pf6  
1762 PF6- Hexafluorophosphate ion pf6-  
1763 SF6 Sulfur Hexafluoride sf6  
1764 SeF6 Selenium hexafluoride sef6  
1765 SF5Cl sulfur chloropentafluoride sf5cl  
1766 CF3CHF2 pentafluoroethane cf3chf2  
1767 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1768 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1769 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1770 CCl3CHCl2 pentachloroethane ccl3chcl2  
1771 C6H5F Fluorobenzene bzf  
1772 C6H5Cl chlorobenzene bzcl  
1773 C6H5Br bromobenzene bzbr  
1774 C8H6 Calicene calicene  
1775 C6H5CCH phenylacetylene phac  
1776 C8H6 benzocyclobutadiene bcbd  
1777 C8H6 Pentalene pentalene  
1778 C6H5CHCH2 Styrene styrene  
1779 C8H8 cubane cubane  
1780 C8H8 cyclooctatetraene cot  
1781 C6H5CH2CH3 Ethylbenzene etbz  
1782 CH3C6H4CH3 meta-xylene mxylene  
1783 CH3C6H4CH3 paraxylene pxylene  
1784 C8H14 Bicyclo[2.2.2]octane bico222  
1785 C8H16 cyclooctane cyclooct  
1786 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1787 C8H18 Octane c8h18  
1788 C6H5CN phenyl cyanide phcn  
1789 C6H12N2 Triethylenediamine ted  
1790 C4O4-- squarate dianion c4o4--  
1791 S4N4 Tetrasulfur tetranitride s4n4  
1792 S8 Octasulfur s8  
1793 C6H4O2 parabenzoquinone pbq  
1794 C4H4N2O2 Uracil uracil  
1795 C6H5CHO benzaldehyde benzal  
1796 C6H5OCH3 Anisole anisole  
1797 C5H9NO2 Proline proline  
1798 C4F4 tetrafluorcyclobutadiene c4f4  
1799 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1800 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1801 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1802 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1803 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1804 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1805 C2F6 hexafluoroethane c2f6  
1806 C2Cl6 hexachloroethane c2cl6  
1807 IF7 Iodine heptafluoride if7  
1808 C6H4F2 metadifluorobenzene mdfb  
1809 C6H4F2 orthodifluorobenzene odfb  
1810 C6H4F2 1,4-difluorobenzene pdfb  
1811 C6H4Cl2 1,2-dichlorobenzene dcb12  
1812 C6H4Cl2 1,3-dichlorobenzene dcb13  
1813 C6H4Cl2 1,4-dichlorobenzene dcb14  
1814 C6H5NO nitrosobenzene bzno  
1815 C9H8 Indene indene  
1816 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1817 C9H12 n-propyl benzene prbz  
1818 C9H20 Nonane nonane  
1819 C(CN)4 tetracyanomethane c5n4  
1820 C5H4N4 purine purine  
1821 C8H7N Indole indole  
1822 C3H3N3O3 cyanuric acid cyanuric  
1823 C6H5NO2 Nitrobenzene c6h5no2  
1824 C6H5COOH benzoic acid benzo  
1825 CH3COC6H5 acetophenone acph  
1826 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1827 C3F6 hexafluoropropene c3f6  
1828 C6H3F3 Benzene trifluoride 123 bzf3a  
1829 C8H18O 1-Octanol octanol  
1830 C10H8 Azulene azu  
1831 C10H8 naphthalene naph  
1832 C10H10 bullvalene bullv  
1833 C10H16 adamantane adamantane  
1834 C6N4 Tetracyanoethylene tcne  
1835 C6N4- tetracyanoethylene anion tcne-  
1836 C10H22 Decane decane  
1837 C4F6 perfluorobutadiene c4f6  
1838 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1839 C3F8 perfluoropropane c3f8  
1840 Fe(CO)5 Iron pentacarbonyl ipc  
1841 Fe(C5H5)2 ferrocene fecp2  
1842 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1843 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1844 C12H8 Acenaphthylene acenaph  
1845 C12H8 biphenylene biph  
1846 C12H10 biphenyl biphenyl  
1847 C12H10 Heptalene heptalene  
1848 C6H12O6 Inositol inositol  
1849 C6F6 hexafluorobenzene c6f6  
1850 S2F10 disulphur decafluoride s2f10  
1851 C13H10 Fluorene fluorene  
1852 C14H10 Anthracene anth  
1853 C14H10 Phenanthrene phenanthrene  
1854 C14H14 Bibenzyl bibenzyl  
1855 C12H10N2 azobenzene azobenzene  
1856 C6H5COC6H5 benzophenone benzophenone  
1857 C16H10 Pyrene pyrene  
1858 C18H12 Tetracene tetracene  
1859 C19H16 Triphenylmethane tpm  
1860 C24H12 Coronene coronene  
1861 C60 Buckminsterfullerene c60