return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Resources > Info on Results > Calculations Done > Method and basis set

List of which calculations are completed at CCSD(T)// B3LYP/6-31G* /cc-pVTZ

Jump to calculations not yet done
count Species Name State Conformation
1 D Deuterium atom 1SKh
2 H Hydrogen atom 1SKh
3 H- Hydrogen atom anion 2SKh
4 H+ Hydrogen atom cation  Kh
5 D2 Deuterium diatomic 1ΣgD∞h
6 H2 Hydrogen diatomic 1ΣgD∞h
7 H2- hydrogen diatomic anion 2Σu+D∞h
8 H2+ Hydrogen cation 2Σg+D∞h
9 HD Deuterium hydride 1ΣgD∞h
10 H3+ hydrogen trimer cation 1A1'D3h
11 He Helium atom 1SKh
12 He- Helium atom anion 2SKh
13 He+ Helium atom cation 2SKh
14 HeH+ Helium hydride cation 1ΣC∞v
15 He2+ helium diatomic cation 2ΣuD∞h
16 Li Lithium atom 2SKh
17 Li- Lithium atom anion 1SKh
18 Li+ Lithium atom cation 1SKh
19 Na Sodium atom 2SKh
20 Na- Sodium atom anion 1SKh
21 LiH Lithium Hydride 1ΣC∞v
22 LiH- lithium hydride anion 2ΣC∞v
23 LiH+ lithium hydride cation 2ΣC∞v
24 NaH sodium hydride 1ΣC∞v
25 NaH- sodium hydride anion 2ΣC∞v
26 NaH+ sodium hydride cation 2ΣC∞v
27 Be Beryllium atom 1SKh
28 Be- Beryllium atom anion 2PKh
29 Be+ Beryllium atom cation 2SKh
30 Mg Magnesium atom 1SKh
31 Mg- Magnesium atom anion 2PKh
32 Mg+ Magnesium atom cation 2SKh
33 Ca Calcium atom 1SKh
34 BeH beryllium monohydride 2ΣC∞v
35 BeH- berylium monohydride anion 1ΣC∞v
36 BeH+ beryllium monohydride cation 1ΣC∞v
37 MgH magnesium monohydride 2ΣC∞v
38 MgH- magnesium monohydride anion 1ΣC∞v
39 MgH+ magnesium monohydride cation 1ΣC∞v
40 BeH2 beryllium dihydride 1ΣgD∞h
41 MgH2 magnesium dihydride 1ΣgD∞h
42 B Boron atom 2PKh
43 B- Boron atom anion 3PKh
44 B+ Boron atom cation 1SKh
45 Al Aluminum atom 2PKh
46 Al- Aluminum atom anion 3PKh
47 Al+ Aluminum atom cation 1SKh
48 BH Boron monohydride 1ΣC∞v
49 BH- boron monohydride anion 2ΠC∞v
50 BH+ boron monohydride cation 2ΣC∞v
51 AlH aluminum monohydride 1ΣC∞v
52 AlH- aluminum monohydride anion 2ΠC∞v
53 AlH+ aluminum monohydride cation 2ΣC∞v
54 BH2 boron dihydride 2A1C2v
55 AlH2 aluminum dihydride 2A1C2v
56 AlH2- aluminum dihydride anion 1A1C2v
57 AlH2+ aluminum dihydride cation 1ΣgD∞h
58 BH3 boron trihydride 1A1'D3h
59 BH3+ boron trihydride cation 2E'D3h
60 AlH3 aluminum trihydride 1A1'D3h
61 AlH3- aluminum trihydride anion 2A2"D3h
62 AlH3+ aluminum trihydride cation 2ED3h
63 BH4- borohydride anion 1A1Td
64 AlH4- Aluminum tetrahydride anion 1A1Td
65 C Carbon atom 3P0Kh
66 C- Carbon atom anion 4SKh
67 C+ Carbon atom cation 2PKh
68 Si Silicon atom 3PKh
69 Si- Silicon atom anion 4SKh
70 Si+ Silicon atom cation 2PKh
71 CH Methylidyne 2Π1/2C∞v
72 CH- methylidyne anion 3ΣC∞v
73 CH+ Methylidyne cation 1ΣC∞v
74 SiH Silylidyne 2ΠC∞v
75 SiH- silicon monohydride anion 3ΣC∞v
76 SiH+ silicon monohydride cation 1ΣC∞v
77 CH2 Methylene 3B1C2v
78 CH2- methylene anion 2B1C2v
79 CH2+ methylene cation 2A1C2v
80 SiH2 silicon dihydride 1A1C2v
81 SiH2- silicon dihydride anion 2B1C2v
82 SiH2+ silicon dihydride cation 2A1C2v
83 CH3 Methyl radical 2A1D3h
84 CH3- methyl anion 1A1C3v
85 CH3+ methyl cation 1A1'D3h
86 SiH3 Silyl radical 2A1C3v
87 SiH3- Silyl anion 1A1C3v
88 SiH3+ Silyl cation 1A1'D3h
89 CH4 Methane 1A1Td
90 CH4+ Methane cation 2B1C2v
91 SiH4 Silane 1A1Td
92 N- Nitrogen atom anion 3SKh
93 N+ Nitrogen atom cation 3PKh
94 P Phosphorus atom 4SKh
95 P- Phosphorus atom anion 3PKh
96 P+ Phosphorus atom cation 3PKh
97 As Arsenic atomic 4SKh
98 NH Imidogen 3Σ-C∞v
99 NH- Imidogen anion 2ΠC∞v
100 NH+ imidogen cation 2ΠC∞v
101 PH phosphorus monohydride 3Σ-C∞v
102 PH- phosphorus monohydride anion 2ΠC∞v
103 PH+ phosphorus monohydride cation 2ΠC∞v
104 AsH Arsenic monohydride 3ΣC∞v
105 ND2 Amidogen-d2 2B1C2v
106 NH2 Amino radical 2B1C2v
107 NH2- amino anion 1A1C2v
108 PH2 Phosphino radical 2B1C2v
109 PH2- Phosphino anion 1A1C2v
110 PH2+ Phosphino cation 1A1C2v
111 AsH2 Arsenic dihydride 2A1C2v
112 ND3 Ammonia-d3 1A1C3v
113 NH3 Ammonia 1A1C3v
114 NH3+ ammonia cation 2A2"D3h
115 PH3 Phosphine 1A1C3v
116 PH3+ Phosphine cation 2A1C3v
117 AsH3 Arsine 1A1C3v
118 AsH3+ Arsine cation 2A1C3v
119 NH4+ ammonium cation 1A1Td
120 PH4+ phosphonium cation   
121 O Oxygen atom 3SKh
122 O- Oxygen atom anion 2PKh
123 O+ Oxygen atom cation 4SKh
124 S Sulfur atom 3PKh
125 S- Sulfur atom anion 2PKh
126 S+ Sulfur atom cation 4SKh
127 Se Selenium atom 3PKh
128 Se- Selenium atom anion 2PKh
129 Se+ Selenium atom cation 4SKh
130 DO Hydroxyl-d 2ΠC∞v
131 OH Hydroxyl radical 2ΠC∞v
132 OH- hydroxide anion 1ΣC∞v
133 OH+ hydoxyl cation 3ΣC∞v
134 DS Mercapto-d 2ΠC∞v
135 HS Mercapto radical 2ΠC∞v
136 HS- mercapto anion 1ΣC∞v
137 HS+ sulfur monohydride cation 3ΣC∞v
138 HSe Selenium monohydride 2ΠC∞v
139 HSe- selenium monohydride anion 1ΣC∞v
140 HSe+ selenium monohydride cation 3ΣC∞v
141 D2O Deuterium oxide 1A1C2v
142 H2O Water 1A1C2v
143 H2O- water anion 2A1C2v
144 H2O+ water cation 2B1C2v
145 HDO Water-d1 1A1C2v
146 D2S Hydrogen sulfide-d2 1A1C2v
147 H2S Hydrogen sulfide 1A1C2v
148 H2S+ Hydrogen sulfide cation 2B1C2v
149 H2Se Hydrogen selenide 1A1C2v
150 H2Se+ Hydrogen selenide cation 2B1C2v
151 H3O+ hydronium cation 1A1C3v
152 F Fluorine atom 2PKh
153 F- Fluorine atom anion 1SKh
154 F+ Fluorine atom cation 3SKh
155 Cl Chlorine atom 2PKh
156 Cl- Chlorine atom anion 1SKh
157 Cl+ Chlorine atom cation 3PKh
158 Br Bromine atom 2PKh
159 Br- Bromine atom anion 1SKh
160 Br+ Bromine atom cation 3PKh
161 DF Hydrofluoric acid-d 1ΣC∞v
162 HF Hydrogen fluoride 1ΣC∞v
163 HF- hydrogen fluoride anion 2ΣC∞v
164 HF+ hydrogen fluoride cation 2ΠC∞v
165 DCl Hydrochloric acid-d 1ΣC∞v
166 HCl Hydrogen chloride 1ΣC∞v
167 HCl- hydrogen chloride anion 2ΣC∞v
168 HCl+ hydrogen chloride cation 2ΠC∞v
169 HBr hydrogen bromide 1ΣC∞v
170 HBr- hydrogen bromide anion 2ΣC∞v
171 HBr+ hydrogen bromide cation 2ΠC∞v
172 H2F+ dihydrogen fluoride cation 1A1C2v
173 H2Cl+ dihydrogen monochloride cation 1A1C2v
174 Ne Neon atom 1SKh
175 Ne- Neon atom anion 2SKh
176 Ne+ Neon atom cation 2PKh
177 Ar Argon atom 1SKh
178 Ar- Argon atom anion 2SKh
179 Ar+ Argon atom cation 2PKh
180 NeH+ neon hydrogen cation 1ΣC∞v
181 ArH+ Argon hydride cation 1ΣC∞v
182 Li2 Lithium diatomic 1ΣgD∞v
183 Li2- lithium diatomic anion 2ΣuD∞h
184 Li2+ lithium diatomic cation 2ΣgD∞h
185 NaLi lithium sodium 1ΣC∞v
186 NaLi- lithium sodium anion 2ΣC∞v
187 NaLi+ lithium sodium cation 2ΣC∞v
188 Na2 Sodium diatomic 1ΣgD∞h
189 Na2- sodium diatomic anion 2ΣuD∞h
190 Na2+ sodium diatomic cation 2ΣgD∞h
191 Be2 Beryllium diatomic 3ΠgD∞h
192 Be2- Beryllium diatomic anion 2ΠuD∞h
193 Be2+ Beryllium diatomic cation 2ΣuD∞h
194 Mg2 Magnesium diatomic 1ΣgD∞h
195 Mg2- magnesium diatomic anion 2ΠUD∞h
196 Mg2+ magnesium diatomic cation 2ΣuD∞h
197 B2 Boron diatomic 3ΣgD∞h
198 B2 Boron diatomic 1ΣgD∞h
199 B2 Boron diatomic 5ΣuD∞h
200 B2- Boron diatomic anion 4ΣgD∞h
201 Al2 Aluminum diatomic 3ΣgD∞h
202 Al2- aluminum diatomic anion 4ΣgD∞h
203 Al2+ aluminum diatomic cation 2ΣgD∞h
204 B2H6 Diborane 1AgD2h
205 BC boron monocarbide 2ΠC∞v
206 BC- boron monocarbide anion 3ΠuC∞v
207 BC- boron monocarbide anion 1Σg+C∞v
208 BC+ boron monocarbide cation 3ΣC∞v
209 C2 Carbon diatomic 1Σg+D∞h
210 C2- carbon diatomic anion 2ΣgD∞h
211 C2+ carbon diatomic cation 2ΠD∞h
212 SiC silicon monocarbide 3ΣC∞v
213 SiC- silicon monocarbide anion 2ΣgC∞v
214 SiC+ silicon monocarbide cation 2ΠC∞v
215 Si2 Silicon diatomic 3ΣgD∞h
216 Si2- silcon diatomic anion 2ΣgD∞h
217 Si2+ silcon diatomic cation 2ΠD∞h
218 C2H Ethynyl radical 2ΣC∞v
219 C2H- Ethynyl anion 1ΣC∞v
220 C2H+ Ethynyl cation 3ΠC∞v
221 C2H+ Ethynyl cation 1ΣC∞v
222 C2H2 Acetylene 1ΣgD∞h
223 C2H2+ acetylene cation 2ΠuD∞h
224 CCH2 vinylidene 1A1C2v
225 CCH2 vinylidene 3B2C2v
226 CH3Li methyl lithium 1A1C3v
227 C2H3 vinyl 2A'Cs
228 C2H3+ vinyl cation 1A1C2V bridging H
229 C2H4 Ethylene 1AgD2h
230 C2H4- Ethylene anion 2B2gD2h
231 C2H4+ Ethylene cation 2B3uD2h
232 CH3CH methylmethylene 3A"Cs
233 C2H5 Ethyl radical 2A'Cs
234 C2H5+ Ethyl cation 1A1C2v
235 C2H6 Ethane 1A1gD3d
236 CH3SiH3 methyl silane 1A1C3
237 Si2H6 disilane 1EuD3d
238 LiN Lithium Nitride 3ΣC∞v
239 LiN Lithium Nitride 1ΣC∞v
240 LiN+ Lithium Nitride cation 4ΣC∞v
241 BeN- Beryllium mononitride anion 1ΣC∞v
242 BN- boron nitride anion 2ΣC∞v
243 AlN- aluminum mononitride anion 2ΣC∞v
244 AlN+ aluminum mononitride cation 2ΠC∞v
245 BN boron nitride 3ΠC∞v
246 BN boron nitride 1ΣC∞v
247 BN+ boron nitride cation 2ΠC∞v
248 AlN Aluminum nitride 3ΠiC∞v
249 AlN Aluminum nitride 1ΣC∞v
250 CN Cyano radical 2ΣC∞v
251 CN- cyanide anion 1ΣC∞v
252 CN+ Cyano cation 1ΣC∞v
253 CP Carbon monophosphide 2ΣC∞v
254 CP- carbon monophosphide anion 1ΣC∞v
255 CP+ carbon monophosphide cation 3ΣC∞v
256 SiN Silicon nitride 2ΣC∞v
257 SiN- silicon mononitride anion 1ΣC∞v
258 SiN+ silicon mononitride cation 3ΠC∞v
259 SiP Silicon monophosphide 2ΠC∞v
260 SiP- Silicon monophosphide anion 1ΣC∞v
261 SiP+ Silicon monophosphide cation 3ΣC∞v
262 SiP+ Silicon monophosphide cation 1ΣC∞v
263 N2 Nitrogen diatomic 1ΣgD∞h
264 N2- nitrogen diatomic anion 2ΠgD∞h
265 N2+ diatomic nitrogen cation 2ΣgD∞h
266 PN Phosphorus mononitride 1ΣC∞v
267 PN- phosphorus nitride anion 2ΠC∞v
268 PN+ phosphorus nitride cation 2ΠC∞v
269 P2 Phosphorus diatomic 1ΣgD∞h
270 P2- phosphorus diatomic anion 2ΠgD∞h
271 As2 Arsenic diatomic 1ΣgD∞h
272 HNB hydrogen nitrogen boron 2ΣC∞v
273 HNC hydrogen isocyanide 1ΣC∞v
274 HCN Hydrogen cyanide 1ΣC∞v
275 HCN+ hydrogen cyanide cation 2ΠC∞v
276 HCP Phosphaethyne 1ΣC∞v
277 NNH Dinitrogen monohydride 2A'Cs
278 NNH+ Dinitrogen monohydride cation 1ΣC∞v
279 HPO Hydrogen phosphorus oxide 1A'Cs
280 HPO+ Hydrogen phosphorus oxide cation 2A'Cs
281 N2H2 (E)-diazene 1AgC2h
282 CH2NH Methanimine 1A'Cs
283 CH2PH Phosphaethene 1A'Cs
284 CH2NH2+ methyleneamine cation 1A1C2v
285 N2H4 Hydrazine 1AC2
286 P2H4 Diphosphine 1AC2
287 CH3NH2 methyl amine 1A'Cs
288 CH3PH2 Methyl phosphine 1A'Cs
289 BH3NH3 borane ammonia 1A1C3v
290 CH3NH3+ protonated methylamine 1A1C3v
291 NH3NH3 Ammonia Dimer 1AgC2h
292 LiO lithium oxide 2ΣC∞v
293 LiO- lithium oxide anion 1ΣC∞v
294 LiO- lithium oxide anion 3ΣC∞v
295 LiO+ lithium oxide cation 3ΣC∞v
296 LiO+ lithium oxide cation 1ΣC∞v
297 NaO sodium monoxide 2ΣC∞v
298 NaO- sodium oxide anion 1ΣC∞v
299 NaO+ sodium oxide cation 3ΣC∞v
300 BeO beryllium oxide 1ΣC∞v
301 BeO- Beryllium monoxide anion 2ΣC∞v
302 BeO+ Beryllium monoxide cation 2ΠC∞v
303 BeS beryllium sulfide 1ΣC∞v
304 MgO magnesium oxide 1Σ+C∞v
305 MgO- magnesium oxide anion 2ΣC∞v
306 MgO+ magnesium oxide cation 2ΠC∞v
307 MgS magnesium sulfide 1ΣC∞v
308 MgS- magnesium sulfide anion 2ΣC∞v
309 MgS+ magnesium sulfide cation 2ΠC∞v
310 BeS- Beryllium monosulfide anion 2ΣC∞v
311 BeS+ Beryllium monosulfide cation 2ΠC∞v
312 BO boron monoxide 2ΣC∞v
313 BO- boron monoxide anion 1ΣC∞v
314 AlO Aluminum monoxide 2ΣC∞v
315 AlO- Aluminum monoxide anion 1ΣC∞v
316 AlO+ aluminum monoxide cation 1ΣC∞v
317 BS boron sulfide 2ΣC∞v
318 BS- boron monosulfide anion 1ΣC∞v
319 BS+ boron monosulfide cation 1ΣC∞v
320 AlS Aluminum sulfide 2ΣC∞v
321 AlS- aluminum monosulfide anion 1ΣC∞v
322 AlS+ aluminum monosulfide cation 1ΣC∞v
323 BO+ boron monoxide cation 1ΣC∞v
324 CO Carbon monoxide 1ΣC∞v
325 CO- carbon monoxide anion 2ΠC∞v
326 CO+ carbon monoxide cation 2ΣC∞v
327 CS carbon monosulfide 1ΣC∞v
328 CS- carbon monosulfide anion 2ΠC∞v
329 CS+ carbon monosulfide cation 2ΣC∞v
330 SiO Silicon monoxide 1ΣC∞v
331 SiO- silicon monoxide anion 2ΠC∞v
332 SiO+ silicon monoxide cation 2ΣC∞v
333 SiS silicon monosulfide 1ΣC∞v
334 SiS- silicon monosulfide anion 2ΠC∞v
335 SiS+ silicon monosulfide cation 2ΣC∞v
336 CSe Carbon monoselenide 1ΣC∞v
337 CSe- Carbon monoselenide anion 2ΠC∞v
338 CSe+ Carbon monoselenide cation 2ΣC∞v
339 NO Nitric oxide 2ΠC∞v
340 NO- nitric oxide anion 3ΣC∞v
341 NO- nitric oxide anion 1ΔC∞v
342 NO+ nitric oxide cation 1ΣC∞v
343 NS Mononitrogen monosulfide 2ΠC∞v
344 NS- nitrogen sulfide anion 3ΣC∞v
345 NS+ nitrogen sulfide cation 1ΣC∞v
346 PO Phosphorus monoxide 2ΠC∞v
347 PO- phosphorus monoxide anion 3ΣC∞v
348 PO+ phosphorus monoxide cation 1ΣC∞v
349 PS phosphorus sulfide 2ΣC∞v
350 PS- phosphorus monosulfide anion 3ΣC∞v
351 PS+ phosphorus monosulfide cation 1ΣC∞v
352 AsO Arsenic monoxide 2ΠC∞v
353 O2 Oxygen diatomic 3ΣgD∞h
354 O2- oxygen diatomic anion 2ΠD∞h
355 O2+ diatomic oxygen cation 2ΠgD∞h
356 SO Sulfur monoxide 3ΣC∞v
357 SO- sulfur monoxide anion 2ΠC∞v
358 SO+ sulfur monoxide cation 2ΠC∞v
359 S2 Sulfur diatomic 3ΣgD∞h
360 S2- sulfur diatomic anion 2ΠD∞h
361 S2+ sulfur diatomic cation 2ΠD∞h
362 SeO Selenium monoxide 3ΣC∞v
363 SeO- selenium monoxide anion 2ΠC∞v
364 SeO+ selenium monoxide cation 2ΠC∞v
365 SeS Selenium monosulfide 3ΣC∞v
366 SeS- selenium monosulfide anion 2ΠC∞v
367 SeS+ selenium monosulfide cation 2ΠC∞v
368 Se2 Selenium diatomic 3ΣgD∞h
369 Se2- selenium diatomic anion 2ΠD∞h
370 Se2+ selenium diatomic cation 2ΠgD∞h
371 LiOH lithium hydroxide 1ΣC∞v
372 NaOH sodium hydroxide 1ΣC∞v
373 BeOH beryllium monohydroxide 2A'Cs
374 MgOH magnesium hydroxide 2A'Cs
375 HBO Boron hydride oxide 1ΣC∞v
376 HBS hydrogen boron sulfide 1ΣC∞v
377 HCO Formyl radical 2A'Cs
378 HCO+ Formyl cation 1ΣC∞v
379 HCS Thioformyl radical 2A'Cs
380 HCS- Thioformyl anion 1A'Cs
381 HCS- Thioformyl anion 3A"Cs
382 HCS+ Thioformyl cation 1ΣC∞v
383 HNO Nitrosyl hydride 1A'Cs
384 HNO- Nitrosyl hydride anion 2A"Cs
385 HNO+ Nitrosyl hydride cation 2A'Cs
386 HO2 Hydroperoxy radical 2A"Cs
387 HO2- Hydroperoxy anion 1A'Cs
388 HO2+ Hydroperoxy cation 3A"Cs
389 H2CO Formaldehyde 1A1C2v
390 H2CO+ formaldehyde cation 2B2C2v
391 H2CS Thioformaldehyde 1A1C2v
392 H2O2 Hydrogen peroxide 1AC2
393 H2S2 Disulfane 1AC2
394 CH2OH Hydroxymethyl radical 2AC1
395 CH2OH+ hydroxymethyl cation 1A'Cs
396 CH3O Methoxy radical 2A'C1
397 CH3S thiomethoxy 2A'C3v
398 NH2OH hydroxylamine 1A'Cs
399 CH3OH Methyl alcohol 1A'Cs
400 CH3SH Methanethiol 1A'Cs
401 CH3SeH Methane selenol 1A'Cs
402 H2OH2O water dimer 1A'Cs
403 LiF lithium fluoride 1ΣC∞v
404 LiCl lithium chloride 1ΣC∞v
405 LiCl- lithium chloride anion 2ΣC∞v
406 LiCl+ lithium chloride cation 2ΠC∞v
407 NaF sodium fluoride 1ΣC∞v
408 NaF- sodium fluoride anion 2ΣC∞v
409 NaF+ sodium fluoride cation 2ΣC∞v
410 NaCl Sodium Chloride 1ΣC∞v
411 NaCl- sodium chloride anion 2ΣC∞v
412 NaCl+ sodium chloride cation 2ΠC∞v
413 LiBr Lithium Bromide 1ΣC∞v
414 LiBr- lithium bromide anion 2ΣC∞v
415 LiBr+ lithium bromide cation 2ΠC∞v
416 NaBr Sodium Bromide 1ΣC∞v
417 NaBr- sodium bromide anion 2ΣC∞v
418 NaBr+ sodium bromide cation 2ΠC∞v
419 LiF- lithium fluoride anion 2ΣC∞v
420 LiF+ lithium fluoride cation 2ΠC∞v
421 BeF Beryllium monofluoride 2ΣC∞v
422 BeF- Beryllium monofluoride anion 1ΣC∞v
423 BeF+ Beryllium monofluoride cation 1ΣC∞v
424 BeCl beryllium monochloride 2ΣC∞v
425 MgF Magnesium monofluoride 2ΣC∞v
426 MgF- magnesium fluoride anion 1ΣC∞v
427 MgF+ magnesium fluoride cation 1ΣC∞v
428 MgCl magnesium monochloride 2ΣC∞v
429 MgCl- magnesium monochloride anion 1ΣC∞v
430 MgCl+ magnesium monochloride cation 1ΣC∞v
431 BeCl- beryllium monochloride anion 1ΣC∞v
432 BeCl+ beryllium monochloride cation 1ΣC∞v
433 BF Boron monofluoride 1ΣC∞v
434 BF- Boron monofluoride anion 2ΠC∞v
435 BF+ Boron monofluoride cation 2ΣC∞v
436 AlF Aluminum monofluoride 1Σ+C∞v
437 AlF- Aluminum monofluoride anion 2ΠC∞v
438 AlF+ Aluminum monofluoride cation 2ΣC∞v
439 BCl boron monochloride 1ΣC∞v
440 BCl- boron monochloride anion 2ΠC∞v
441 BCl+ boron monochloride cation 2ΣC∞v
442 AlCl- aluminum monochloride anion 2ΠC∞v
443 AlCl+ aluminum monochloride cation 2ΣC∞v
444 CF Fluoromethylidyne 2ΠC∞v
445 CF- carbon monofluoride anion 3ΣC∞v
446 CF- carbon monofluoride anion 1ΣC∞v
447 CF+ carbon monofluoride cation 1ΣC∞v
448 CCl carbon monochloride 2ΠC∞v
449 CCl- carbon monochloride anion 3ΣC∞v
450 CCl+ carbon monochloride cation 1ΣC∞v
451 SiF silicon monofluoride 2ΠC∞v
452 SiF- silicon monofluoride anion 3ΣC∞v
453 SiF+ silicon monofluoride cation 1ΣC∞v
454 SiCl Clorosilylidyne 2ΠC∞v
455 SiCl- silicon monochloride anion 3ΣC∞v
456 SiCl+ silicon monochloride cation 1ΣC∞v
457 NF nitrogen fluoride 3ΣC∞v
458 NF- nitrogen monofluorine anion 2ΠC∞v
459 NF+ nitrogen monofluoirde cation 2ΠC∞v
460 NCl nitrogen monochloride 3ΣC∞v
461 NCl- nitrogen monochloride anion 2ΠC∞v
462 NCl+ nitrogen monochloride cation 2ΠC∞v
463 PF phosphorus monofluoride 3ΣC∞v
464 PF- phosphorus monofluoride anion 2ΠC∞v
465 PF+ phosphorus monofluoride cation 2ΠC∞v
466 PCl phosphorus chloride 3ΣC∞v
467 PCl- phosphorus monochloride anion 2ΠC∞v
468 PCl+ phosphorus monochloride cation 2ΠC∞v
469 FO Oxygen monofluoride 2ΠC∞v
470 FO- flourine oxide anion 1ΣC∞v
471 FO+ fluorine monoxide cation 3ΣC∞v
472 ClO Monochlorine monoxide 2ΠC∞v
473 ClO- chlorine monoxide anion 1ΣC∞v
474 ClO+ chlorine monoxide cation 3ΣC∞v
475 ClO+ chlorine monoxide cation 1ΣC∞v
476 SF Monosulfur monofluoride 2ΠC∞v
477 SF- sulfur monofluoride anion 1ΣC∞v
478 SF+ sulfur monofluoride cation 3ΣC∞v
479 SCl sulfur monochloride 2ΠC∞v
480 SCl- sulfur monochloride anion 1ΣC∞v
481 SCl+ sulfur monochloride cation 3ΣgC∞v
482 SCl+ sulfur monochloride cation 1ΣC∞v
483 BrCl Bromine monochloride 1ΣC∞v
484 F2 Fluorine diatomic 1ΣgD∞h
485 F2- flourine diatomic anion 2ΣuD∞h
486 F2+ flourine diatomic cation 2ΠgD∞h
487 ClF Chlorine monofluoride 1Σ+C∞v
488 ClF- clorine monofluoride anion 2ΣC∞v
489 ClF+ clorine monofluoride cation 2ΠC∞v
490 Cl2 Chlorine diatomic 1ΣgD∞h
491 Cl2- chlorine diatomic anion 2ΣuD∞h
492 Cl2+ chlorine diatomic cation 2ΠgD∞h
493 BrF Bromine monofluoride 1ΣC∞v
494 BrF- bromine fluoride anion 2ΣC∞v
495 BrF+ bromine fluoride cation 2ΠC∞v
496 BrCl- bromine chloride anion 2ΣC∞v
497 BrCl+ bromine chloride cation 2ΠC∞v
498 Br2 Bromine diatomic 1ΣgD∞h
499 Br2- bromine diatomic anion 2ΣuD∞h
500 Br2+ bromine diatomic cation 2ΠgD∞h
501 HCF Fluoromethylene 1A'Cs
502 HOF Hypofluorous acid 1A'Cs
503 DOCl Hypochlorous acid-d 1A'Cs
504 HOCl hypochlorous acid 1A'Cs
505 HOBr Hypobromous acid 1A'Cs
506 NH2F monofluoroamine 1A'Cs
507 NH2Cl chloramine 1A'Cs
508 H2F2 Hydrogen fluoride dimer 1AgCs
509 CH3F Methyl fluoride 1A1C3v
510 CH3Cl Methyl chloride 1A1C3v
511 SiH3F monofluorosilane 1A1C3v
512 SiH3Cl chlorosilane 1A1C1
513 CH3Br methyl bromide 1A1C3v
514 C3 carbon trimer 1ΣgD∞h
515 C3+ carbon trimer cation 2ΣuD∞h
516 C3H3 Propargyl radical 2B1Cs
517 C3H3- Propargyl anion 1A'Cs
518 C3H3+ cyclopropenyl cation 1A1D3h
519 C3H3+ Propargyl cation 1A1C2v
520 CH2CCH2 allene 1A1D2d
521 CH3CCH propyne 1A'C3v
522 C3H5 Allyl radical 2A2C2v
523 C3H5+ Allyl cation 1A1C2v
524 C3H6 Cyclopropane 1A1'D3h
525 CH2CHCH3 Propene 1A'Cs
526 C3H7 n-Propyl radical 2A"C1
527 CH3CHCH3 Isopropyl radical 2AC2
528 C3H8 Propane 1A1C2v
529 SiH2(CH3)2 dimethylsilane 1A1C2v
530 N3 azide radical 2ΠgD∞h
531 N3- azide anion 1ΣGD∞h
532 HN3 hydrogen azide 1A'Cs
533 CH2NN diazomethane 1A1C2v
534 NH2CN cyanamide 1A'Cs
535 CH3CN Acetonitrile 1A1C3v
536 CH3NC methyl isocyanide 1A1C3v
537 NHCHNH2 aminomethanimine 1AC1
538 C2H5N Aziridine 1A'C1
539 CH2CHNH2 aminoethene 1AC1
540 CH2NCH3 N-methylmethanimine 1A'Cs
541 CH3CHNH ethanimine 1A'CS NH up
542 CH3CH2NH2 Ethylamine 1A'Cs
543 CH3NHCH3 Dimethylamine 1A'Cs
544 Li2O dilithium oxide 1ΣgD∞h
545 Na2O disodium monoxide 1ΣgLinear
546 NCO isocyanato radical 2ΠC∞v
547 NCO- cyanate 1ΣC∞v
548 SCN thiocyanato radical 2ΠC∞v
549 SCN- thiocyanide anion 1ΣC∞v
550 BO2 Boron dioxide 2A'D∞h
551 BO2- Boron dioxide anion 1ΣgD∞h
552 BO2+ Boron dioxide cation 3ΣgD∞h
553 N2O Nitrous oxide 1ΣC∞v
554 N2O- Nitrous oxide anion 2A'Cs
555 N2O+ Nitrous oxide cation 2ΠC∞v
556 CO2 Carbon dioxide 1ΣgD∞h
557 CO2- Carbon dioxide anion 2A1C2v
558 CO2+ Carbon dioxide cation 2ΠgD∞h
559 OCS Carbonyl sulfide 1ΣC∞v
560 OCS+ Carbonyl sulfide cation 2ΠC∞v
561 SiO2 silicon dioxide 1ΣgD∞h
562 CS2 Carbon disulfide 1ΣgD∞h
563 CS2+ Carbon disulfide cation 2ΠD∞h
564 OCSe Carbonyl selenide 1ΣC∞v
565 NO2 Nitrogen dioxide 2A1C2v
566 NO2- Nitrogen dioxide anion 1A1C2v
567 NO2+ Nitrogen dioxide cation 1ΣGD∞h
568 PO2 Phosphorus dioxide 2A1C2v
569 PO2+ Phosphorus dioxide cation 1ΣGD∞h
570 O3 Ozone 1A1Cs
571 O3- Ozone anion 2B1C2v
572 O3+ Ozone cation 2A1C2v
573 SO2 Sulfur dioxide 1A1C2v
574 SO2+ Sulfur dioxide cation 2A1C2v
575 SSO Disulfur monoxide 1A'Cs
576 S3 Sulfur trimer 1A1C2v
577 SeO2 Selenium dioxide 1A1C2v
578 HCCO ketenyl radical 2ΠC∞v
579 HCNO fulminic acid 1ΣC∞v
580 HNCO Isocyanic acid 1A'Cs
581 HOCN cyanic acid 1A'Cs
582 HCO2- formate anion 1A1C2v
583 HOCO Hydrocarboxyl radical 1A'cis
584 HOCO+ Hydrocarboxyl cation 1A'Cs
585 HNO2 Nitrous acid 1A'Cs
586 HNO2+ nitrous acid cation 2A'Cs
587 CH2CO Ketene 1A1C2v
588 CH2CO+ Ketene cation 2B1C2v
589 HCCOH ethynol 1A'Cs
590 CH2O2 Dioxirane 1A1C2v
591 HCOOH Formic acid 1A'Cs
592 CH3CO Acetyl radical 2A'Cs
593 CH3CO+ acetyl cation 1A1C3v
594 CHONH2 formamide 1A'Planar
595 CH3OO methylperoxy radical 2A"Cs
596 C2H4O Ethylene oxide 1A1C2v
597 CH2CHOH ethenol 1A'Cs
598 CH3CHO Acetaldehyde 1A'Cs
599 C2H4S Thiirane 1A1C2v
600 CH3CHS Thioacetaldehyde 1A'C1
601 CH3OOH Methyl peroxide 1AC1
602 CH3CH2OH Ethanol 1A'Cs
603 CH3OCH3 Dimethyl ether 1A1C2v
604 CH3CH2SH ethanethiol 1A'Cs
605 CH3SCH3 Dimethyl sulfide 1A1C2v
606 FCN Cyanogen fluoride 1ΣC∞v
607 ClCN chlorocyanogen 1ΣC∞v
608 BrCN Cyanogen bromide 1ΣC∞v
609 MgCl2 Magnesium dichloride 1ΣgC2v
610 FNO Nitrosyl fluoride 1A'Cs
611 ClNO Nitrosyl chloride 1A'Cs
612 CF2 Difluoromethylene 1A1D∞h
613 CF2- Difluoromethylene anion 2B1C2v
614 CF2+ Difluoromethylene cation 2A1C2v
615 CCl2 dichloromethylene 1A1C2v
616 CCl2+ dichloromethylene cation 2A1C2v
617 SiCl2 Dichlorosilylene 1A1C2v
618 FOO Dioxygen monofluoride radical 2A"Cs
619 ClOO chloroperoxy radical 2A"Cs
620 ClOO+ chloroperoxy cation 1A'Cs
621 OClO Chlorine dioxide 2B1D∞h
622 ClS2 Sulfur chloride 2A"Cs
623 NF2 Difluoroamino radical 2B1C2v
624 NF2+ Difluoroamino cation 1A1C2v
625 F2O Difluorine monoxide 1A1C2v
626 SF2 sulfur difluoride 1A1C2v
627 SF2- sulfur difluoride anion 2A'Cs
628 SF2+ sulfur difluoride cation 2B1C2v
629 Cl2O Dichlorine monoxide 1A1C2v
630 SCl2 Sulfur dichloride 1A1C2v
631 HCCF Fluoroacetylene 1ΣC∞v
632 BHF2 Difluoroborane 1A1C2v
633 BHCl2 Borane, dichloro- 1A1C2v
634 CH2F2 Methane, difluoro- 1A1C2v
635 CH2FCl fluorochloromethane 1A'Cs
636 CH2Cl2 Methylene chloride 1A1C2v
637 CH2Br2 dibromomethane 1A1C2v
638 SiH2Cl2 dichlorosilane 1A1C2v
639 CH2CHF Ethene, fluoro- 1A'Cs
640 C2H3Cl Ethene, chloro- 1A'Cs
641 C2H3Br vinyl bromide 1A'Cs
642 C2H5F fluoroethane 1A'Cs
643 CH3CH2Cl Ethyl chloride 1A'Cs
644 C2H5Br Ethyl bromide 1A'Cs
645 CO3-- carbonate 1A1'D3h
646 SO3- Sulfur trioxide anion 2A1pyramidal
647 CH3COO- acetate anion 1A'eclipsed
648 ClO3- chlorate anion 1A1C3v
649 CF3- Trifluoromethyl anion 1A1C3v
650 CF3+ Trifluoromethyl cation 1A1'D3h
651 CCl3- Trichloromethyl anion 1A1C3v
652 NF3- Nitrogen trifluoride anion 2A1C3v
653 C5H5- cylopentadienyl anion 1A1'D5h
654 SO4-- sulfate 1A1Td
655 ClO4- perchlorate anion 1A1Td
656 BF4- tetrafluoroboron anion 1A1Td
657 C2F6 hexafluoroethane 1A1gD3d

Species NOT done yet
count Species Name file name problem
1 D- Deuterium atom anion d-  
2 D+ Deuterium atom cation d+  
3 HeH Helium hydride heh  
4 Na+ Sodium atom cation na+  
5 K Potassium atom k  
6 K- Potassium atom anion k-  
7 K+ Potassium atom cation k+  
8 Cu Copper atom cu  
9 Cu- Copper atom anion cu-  
10 Cu+ Copper atom cation cu+  
11 KH Potassium hydride kh  
12 KH+ Potassium hydrogen cation kh+  
13 CuH Copper monohydride cuh  
14 Ca- Calcium atom anion ca-  
15 Ca+ Calcium atom cation ca+  
16 Zn Zinc atom zn  
17 Zn- Zinc atom anion zn-  
18 Zn+ Zinc atom cation zn+  
19 CaH Calcium monohydride cah  
20 CaH+ Calcium monohydride cation cah+  
21 TiH Titanium monohydride tih  
22 ZnH Zinc monohydride znh  
23 ZnH+ Zinc, protonated znh+  
24 BeH2+ Beryllium dihydride cation beh2+  
25 CaH2 Calcium Hydride cah2  
26 ZnH2 Zinc hydride znh2  
27 Sc Scandium atom sc  
28 Sc+ Scandium cation sc+  
29 Ga Gallium atom ga  
30 Ga- Gallium atom anion ga-  
31 Ga+ Gallium atom cation ga+  
32 ScH Scandium monohydride sch  
33 ScH+ Scandium monohydride cation sch+  
34 GaH Gallium monohydride gah  
35 GaH+ Gallium monohydride cation gah+  
36 BH2- boron dihydride anion bh2-  
37 BH2+ Boron dihydride cation bh2+  
38 BH3- boron trihydride anion bh3-  
39 ScH3 Scandium trihydride sch3  
40 GaH3 Gallium trihydride gah3  
41 BH4 borohydride bh4  
42 Ti Titanium atom ti  
43 Ti- Titanium atom anion ti-  
44 Ti+ Titanium atom cation ti+  
45 Ge Germanium atom ge  
46 Ge- Germanium anion ge-  
47 Ge+ Germanium cation ge+  
48 Sn Tin atom sn  
49 Sn+ Tin cation sn+  
50 GeH germylidene geh  
51 GeH+ Germaniun monohyrdide cation geh+  
52 GeH2 germylene geh2  
53 GeH2- germylene anion geh2-  
54 GeH3 Germyl radical geh3  
55 GeH3+ germyl cation geh3+  
56 CD4 methane-d4 cd4  
57 CH2D2 methane-d2 ch2d2  
58 CH3D methane-d ch3d  
59 CH4- Methane anion ch4-  
60 CHD3 methane-d3 chd3  
61 SiH2D2 silane-d2 sih2d2  
62 SiH4+ Silane cation sih4+  
63 GeH4 Germane geh4  
64 SnH4 Stannane snh4  
65 SiH5+ Silane, protonated sih5+  
66 N Nitrogen atom n  
67 V Vanadium atom v  
68 V+ Vanadium atom cation v+  
69 As- Arsenic anion as-  
70 As+ Arsenic cation as+  
71 Sb Antimony atom sb  
72 AsH+ Arsenic monohydride cation ash+  
73 SbH Antimony monohydride sbh  
74 NH2+ Amino cation nh2+  
75 AsH2+ Arsenic dihydride cation ash2+  
76 NH3- Ammonia anion nh3-  
77 SbH3 Stibine sbh3  
78 AsH4+ Arsonium ash4+  
79 NH4 Ammonium radical nh4  
80 PH4 Phosphoranyl radical ph4  
81 Cr Chromium atom cr  
82 Te Tellurium atom te  
83 Te+ Tellurium atom cation te+  
84 CrH Chromium hydride crh  
85 CrH+ Chromium hydride cation crh+  
86 TeH Telluryl radical teh  
87 H2Te Hydrogen Telluride h2te  
88 H3S+ Sulfonium cation h3s+  
89 H3Se+ Hydrogen Selenide, protonated h3se+  
90 Mn Manganese atom mn  
91 I Iodine atom iodine  
92 I- Iodine atom anion iodine-  
93 I+ Iodine atom cation iodine+  
94 HI Hydrogen iodide hi  
95 HI+ Hydrogen iodide cation hi+  
96 H2Br+ protonated hydrogen bromide h2br+  
97 H2I+ Iodonium h2i+  
98 Fe Iron atom fe  
99 Kr Krypton atom kr  
100 Kr+ Krypton cation kr+  
101 Xe Xenon atom xe  
102 HeLi+ Helium Lithium cation heli+  
103 NeH neon hydrogen neh  
104 KrH+ Protonated Krypton krh+  
105 XeH+ Xenon, protonated xeh+  
106 H2Ar H2 Ar dimer h2ar  
107 Co Cobalt atom cobalt  
108 Ni Nickel atom ni  
109 LiK Lithium Potassium lik  
110 NaK Sodium Potassium nak  
111 NaK+ Sodium Potassium diatomic cation nak+  
112 K2 Potassium diatomic k2  
113 Cu2 Copper diatomic cu2  
114 LiBe Lithium Beryllium libe  
115 LiMg Lithium magnesium limg  
116 NaBe Sodium Beryllium nabe  
117 NaMg Sodium Magnesium namg  
118 Be2 Beryllium diatomic be2  
119 BeMg Beryllium Magnesium bemg  
120 Ca2 Calcium diatomic ca2  
121 LiB Lithium boride lib  
122 LiAl Lithium Aluminum lial  
123 NaAl Sodium aluminum naal  
124 BeB Beryllium monoboride beb  
125 B2+ Boron diatomic cation b2+  
126 BAl Boron Aluminum bal  
127 BGa Boron Gallium bga  
128 AlGa Aluminum Gallium alga  
129 Ga2 Gallium diatomic ga2  
130 HBBH Diborane(2) hbbh  
131 LiBH4 Lithium borohydride libh4  
132 B2H4 Diborane(4) D2d b2h4  
133 HBHHBH Diborane(4) C2V hbhhbh  
134 B2H6+ Diborane cation b2h6  
135 Al2H6 dialane al2h6  
136 Ga2H6 digallane ga2h6  
137 LiC Lithium Carbide lic  
138 BeC Beryllium Carbide bec  
139 CaC Calcium monocarbide cac  
140 BC boron monocarbide bc  
141 AlC Aluminum carbide alc  
142 BSi Boron silicide bsi  
143 C2+ carbon diatomic cation c2+  
144 GeC Germanium monocarbide gec  
145 SiGe Silicon Germanium sige  
146 Ge2 Germanium diatomic ge2  
147 ZnCH2 Zinc methylene znch2  
148 H2CC- vinylidene anion h2cc-  
149 HCCH- acetylene anion c2h2-  
150 Si2H2 disilyne si2h2  
151 CuCH3 monomethyl copper cuch3  
152 ZnCH3 Zinc monomethyl znch3  
153 CH2BH methyleneborane ch2bh  
154 C2H3- vinyl anion c2h3-  
155 CH2SiH2 silaethylene ch2sih2  
156 Si2H4 Disilene si2h4  
157 CH3BH2 methylborane ch3bh2  
158 C2H5- Ethyl anion c2h5-  
159 C2H6+ ethane cation c2h6+  
160 GeH3CH3 methyl germane geh3ch3  
161 C2H7+ Ethane, protonated c2h7+  
162 LiP Lithium monophosphide lip  
163 BeN Beryllium mononitride ben  
164 BeN+ Beryllium mononitride cation ben+  
165 MgN Magnesium Nitride mgn  
166 BP Boron monophosphide bp  
167 AlP Aluminum monophosphide alp  
168 GaN Gallium mononitride gan  
169 GaP Gallium monophosphide gap  
170 GaAs Gallium arsenide gaas  
171 TiN Titanium mononitride tin  
172 P2+ phosphorus diatomic cation p2+  
173 AsN Arsenic mononitride asn  
174 AsP Arsenic monophosphide asp  
175 SbN Antimony nitride sbn  
176 HCN- Hydrogen cyanide anion hcn-  
177 HNC+ hydrogen isocyanide cation hnc+  
178 HCP+ Phosphaethyne cation hcp+  
179 LiNH2 lithium amide linh2  
180 HBNH Boranimine hbnh  
181 CNH2 Aminomethylidyne radical cnh2  
182 CNH2+ N-protonated hydrogen isocyanide cnh2+  
183 H2CN Dihydrogen cyanide radical h2cn  
184 H2CN+ hydrocyanonium cation h2cn+  
185 HCNH methyleneazane hcnh  
186 HCNH+ N-protonated HCN hcnh+  
187 H2NN Isodiazene h2nn  
188 N2H2 (Z)-Diazene n2h2z  
189 N2H2+ trans-diazene cation n2h2+  
190 CH2NH+ Methanimine cation ch2nh+  
191 CHNH2 aminomethylene chnh2  
192 CHNH2+ Aminocarbene cation chnh2+  
193 BH2NH2 Boranamine bh2nh2  
194 N2H4+ hydrazine cation n2h4+  
195 CH3NH2+ methyl amine cation ch3nh2+  
196 SiH3NH2 Silane, amino sih3nh2  
197 N2H5+ protonated hydrazine n2h5+  
198 BH3PH3 borane phosphine bh3ph3  
199 CH3NH3 methyl ammonium radical ch3nh3  
200 CH3PH3+ methyl phosphine, protonated ch3ph3+  
201 N2H7+ ammonia ammonium dimer n2h7+  
202 LiS Lithium monosulfide lis  
203 LiS+ Lithium sulfide cation lis+  
204 KO Potassium monoxide ko  
205 KO+ Potassium monoxide cation ko+  
206 NaS Sodium sulfide nas  
207 CuO Copper Monoxide cuo  
208 LiSe Lithium monoselenide lise  
209 CaO Calcium monoxide cao  
210 CaS Calcium sulfide cas  
211 ZnO zinc monoxide zno  
212 ZnS Zinc sulfide zns  
213 ScO Scandium monoxide sco  
214 GaO Gallium monoxide gao  
215 GaS Gallium monosulfide gas  
216 TiO Titanium monoxide tio  
217 GeO Germanium monoxide geo  
218 GeO+ Germanium monoxide cation geo+  
219 GeS Germanium monosulfide ges  
220 SiSe Silicon Monoselenide sise  
221 SiSe+ Silicon Monoselenide cation sise+  
222 GeSe Germanium monoselenide gese  
223 VO Vanadium monoxide vo  
224 NSe Nitrogen monoselenide nse  
225 AsS Arsenic monosulfide ass  
226 PSe Phosphorus monoselenide pse  
227 AsSe Arsenic monoselenide asse  
228 O2-- dioxygen dianion o2--  
229 TeO Tellurium monoxide teo  
230 Te2 Tellurium diatomic te2  
231 KOH Potassium hydroxide koh  
232 CaOH Calcium monohydroxide caoh  
233 COH Hydroxymethylidyne coh  
234 COH+ Carbon Monoxide, protonated coh+  
235 HCO- formyl anion hco-  
236 NOH Hydroxyimidogen noh  
237 NOH+ O-protonated nitric oxide noh+  
238 HNS Sulfur imide hns  
239 HNS- Sulfur imide anion hns-  
240 HSO+ Sulfur Monoxide, S-protonated HSO+  
241 SOH Sulfur Hydroxide soh  
242 SOH+ Sulfur Monoxide, protonated soh+  
243 HS2 Thiosulfeno radical hs2  
244 H2CO- formaldehyde anion h2co-  
245 HOCH hydroxycarbene hoch  
246 H2CS- thioformaldehyde anion h2cs-  
247 H2CS+ thioformaldehyde cation h2cs+  
248 H2CSe Selenoformaldehyde h2cse  
249 H2NO nitroxide h2no  
250 H2O2+ Hydrogen peroxide cation h2o2+  
251 H2OO water oxide h2oo  
252 HOSH hydrogen thioperoxide hosh  
253 H2S2+ hydrogen disulfide cation h2s2+  
254 H2Se2 hydrogen diselenide h2se2  
255 CH3O- methoxy anion ch3o-  
256 CH3O+ Methoxy cation ch3o+  
257 H2CSH+ Thioformaldehyde, protonated h2csh+  
258 NH2OH+ Hydroxylamine cation nh2oh+  
259 NH3O Ammonia Oxide nh3o  
260 H2POH Phosphinous acid h2poh  
261 H3PO Phosphine oxide h3po  
262 NH2SH Thiohydroxylamine nh2sh  
263 NH3S sulfidoazane nh3s  
264 H3O2+ hydrogen peroxide, protonated h3o2+  
265 CH3OH- Methyl alcohol anion ch3oh-  
266 CH3OH+ Methyl alcohol cation ch3oh+  
267 CH3SH+ Methanethiol cation ch3sh+  
268 SiH3OH silanol sih3oh  
269 NH2OH2+ protonated hydroxylamine nh2oh2+  
270 NH3OH+ N-protonated hydroxylamine nh3oh+  
271 CH3OH2+ Methanol, protonated ch3oh2+  
272 CH3SH2+ protonated methylsulfide ch3sh2+  
273 H2ONH3 Water Ammonia Dimer h2onh3  
274 H5O2+ Dihydroxonium ion h5o2+  
275 KF Potassium Fluoride kf  
276 KCl Potassium Chloride kcl  
277 CuF Copper monofluoride cuf  
278 CuCl Copper monochloride cucl  
279 KBr Potassium Bromide kbr  
280 LiI Lithium Iodide lii  
281 NaI Sodium Iodide nai  
282 KI Potassium Iodide ki  
283 CaF Calcium monofluoride caf  
284 CaCl calcium monochloride cacl  
285 TiCl Titanium Monochloride ticl  
286 ZnF Zinc monofluoride znf  
287 ZnF- Zinc monofluoride anion znf-  
288 ZnF+ Zinc monofluoride cation znf+  
289 ZnCl Zinc monochloride zncl  
290 CaBr Calcium monobromide cabr  
291 AlCl Aluminum monochloride alcl  
292 ScF Scandium monofluoride scf  
293 BBr Boron monobromide bbr  
294 GaF Gallium monofluoride gaf  
295 GaF+ Gallium monofluoride cation gaf+  
296 AlBr Aluminum monobromide albr  
297 GaCl Gallium monochloride gacl  
298 GaCl+ Gallium monochloride cation gacl+  
299 AlI Aluminum monoiodide ali  
300 GaBr Gallium monobromide gabr  
301 CBr Carbon monobromide cbr  
302 GeF Germanium monofluoride gef  
303 GeF+ Germanium monofluoride cation gef+  
304 GeCl Germanium monochloride gecl  
305 GeCl+ Germanium monochloride cation gecl+  
306 SiBr Silicon monobromide sibr  
307 SiBr+ Silicon monobromide cation sibr+  
308 AsF Arsenic monofluoride asf  
309 NBr nitrogen monobromide nbr  
310 AsCl Arsenic monochloride ascl  
311 PBr Phosphorus monobromide pbr  
312 SbF Antimony monofluoride sbf  
313 SbCl Antimony monochloride sbcl  
314 BrO Bromine monoxide bro  
315 BrO- Bromine monoxide anion bro-  
316 BrO+ Bromine monoxide cation bro+  
317 SeF Selenium monofluoride sef  
318 SBr Sulfur monobromide radical sbr  
319 SBr+ Sulfur monobromide cation sbr+  
320 SeCl Selenium monochloride secl  
321 IO Iodine monoxide io  
322 SeBr Selenium monobromide sebr  
323 IF Iodine monofluoride if  
324 ICl Iodine monochloride icl  
325 IBr Iodine monobromide ibr  
326 I2 Iodine diatomic i2  
327 I2+ Iodine diatomic cation i2+  
328 HCCl Chloromethylene hccl  
329 HSiF fluorosilylene hsif  
330 HSiCl Chlorosilylene hsicl  
331 HSiBr monobromosilylene hsibr  
332 CHBr bromomethylene chbr  
333 HOCl+ hypochlorous acid cation hocl+  
334 HOBr+ Hypobromous acid cation hobr+  
335 HOI Hypoiodous acid hoi  
336 F2H+ Fluorine, protonated f2h+  
337 FHF Hydrogen difluoride fhf  
338 FHF- Hydrogen difluoride anion fhf-  
339 ClFH+ Chlorine fluoride, F-protonated clfh+  
340 FClH+ Chlorine fluoride, Cl-protonated fclh+  
341 Cl2H+ Chlorine, protonated cl2h+  
342 CH2Br bromomethyl radical ch2br  
343 CH2F fluoromethyl radical ch2f  
344 CH2F+ fluoromethyl cation ch2f+  
345 CH2Cl+ chloromethyl cation ch2cl+  
346 CH2Cl chloromethyl radical ch2cl  
347 CH3F+ methyl fluoride cation ch3f+  
348 CD3F methylfluoride-d3 cd3f  
349 CD3Cl methyl chloride d3 cd3cl  
350 CH3Cl+ Methyl chloride cation ch3cl+  
351 GeH3F monofluorogermane geh3f  
352 GeH3Cl monochlorogermane geh3cl  
353 SiH3Br bromosilane sih3br  
354 CH3I methyl iodide ch3i  
355 SiH3I Silyl Iodide sih3i  
356 NH3Cl+ protonated monochloroammonia nh3cl+  
357 CH3ClH+ methyl chloride, protonated ch3clh+  
358 NH4Cl Ammonium chloride nh4cl  
359 LiNe+ Lithium Neon cation line+  
360 Ne2 Neon diatomic ne2  
361 Ne2+ Neon diatomic cation ne2+  
362 Ar2 Argon diatomic ar2  
363 Ar2+ Argon diatomic cation ar2+  
364 Li3 Lithium trimer li3  
365 Li3+ Lithium trimer cation li3+  
366 SiC2 Silicon dicarbide sic2  
367 C3H3 cyclopropenyl radical cpr  
368 C3H4 cyclopropene cprop  
369 CH3CHCH 1-propenyl radical ch3chch  
370 Zn(CH3)2 dimethyl zinc dmz  
371 C3H7+ cyclopropane, protonated c3h7+  
372 CH3CHCH3+ Isopropyl cation prop2yl+  
373 Si3H8 trisilane si3h8  
374 LiCN lithium cyanide licn  
375 NaCN Sodium Cyanide nacn  
376 KCN Potassium cyanide kcn  
377 CuCN Copper cyanide cucn  
378 ZnCN Zinc monocyanide zncn  
379 ZnNC Zinc isocyanide znnc  
380 AlCN Aluminum monocyanide alcn  
381 AlNC Aluminum isocyanide alnc  
382 CN2 3H-Diazirin-3-ylidene cn2  
383 CNN Diazocarbene cnn  
384 NCN Cyanoimidogen ncn  
385 N3+ azide cation n3+  
386 HCCN cyanomethylene hccn  
387 HCNN diazomethyl radical hcnn  
388 HN3+ Hydrazoic acid cation hn3+  
389 HNCNH diiminomethane hncnh  
390 CH2N2 diazirine ch2n2  
391 HNNNH+ 1,2-Triazadienium n2h3+  
392 NH2NN+ hydrazoic acid, protonated nh2nn+  
393 CH3CN- acetonitrile anion ch3cn-  
394 CH3CN+ Acetonitrile cation ch3cn+  
395 CHNCH2 2H-Azirine c157164  
396 CHNHCH 1H-Azirine chnhch  
397 H2CCNH Ethenimine ch2cnh  
398 H2CNCH methyleneaminomethylene ch2nch  
399 HCCNH2 Ethynamine hccnh2  
400 HCNCH2+ 2H-Azirine cation hcnch2+  
401 HNCNH2+ diiminomethane, protonated hncnh2+  
402 NCNH3+ Cyanamide, protonated ncnh3+  
403 NH2CNH+ cyanamide, cn protonated nh2cnh+  
404 NH3CN+ cyanamide, amine protonated nh3cn+  
405 CH2CHNH vinylazine ch2chnh  
406 CH3CHN methylmethaniminyl radical ch3chn  
407 NH2BHNH2 diaminoborane nh2bhnh2  
408 C2H5NH+ Protonated Aziridine c2h5nh+  
409 C2H6N+ aziridine, protonated c2h6n+  
410 NH2CH2NH2 diaminomethane nh2ch2nh2  
411 CH3PHCH3 dimethylphosphine ch3phch3  
412 NH2CH2NH3+ diaminoethane, protonated pdam  
413 (CH3)2NH2+ dimethylammonium cation dmam  
414 CH3CH2NH3+ ethylamine, protonated pea  
415 Li2O+ dilithium oxide cation li2o+  
416 Li2S dilithium sulfide li2s  
417 Na2S Sodium sulfide na2s  
418 LiO2 Lithium dioxide lio2  
419 NaO2 Sodium superoxide nao2  
420 CCO Dicarbon monoxide cco  
421 CNO- fulminate cno-  
422 NNS Nitrogen sulfide nns  
423 PPO Phosphorus oxide phosphide ppo  
424 CS2- Carbon disulfide anion cs2-  
425 TiO2 Titanium dioxide tio2  
426 SiS2 Silicon disulfide sis2  
427 GeO2 Germanium dioxide geo2  
428 SCSe Carbon sulfide selenide scse  
429 GeS2 Germanium disulfide ges2  
430 CSe2 Carbon diselenide cse2  
431 SCTe Carbon sulfide Telluride scte  
432 NSO sulfinyl amidogen NSO  
433 PO2- Phosphorus dioxide anion po2-  
434 SNO Nitrogen oxide sulfide sno  
435 AsO2 Aresenic dioxide aso2  
436 SO2- Sulfur dioxide anion so2-  
437 S3- Sulfur trimer anion s3-  
438 S3+ Sulfur trimer cation s3+  
439 SeO2+ Selenium dioxide cation seo2+  
440 TeO2 Tellurium Dioxide teo2  
441 CS2H+ Carbon disulfide, protonated cs2h+  
442 HNCS Isothiocyanic acid hncs  
443 HSCN thiocyanic acid hscn  
444 HNNO nitrosoazane hnno  
445 HNNO+ Nitrous oxide, N-protonated hnno+  
446 NNOH+ Nitrous Oxide, O-protonated nnoh+  
447 HCOO formate neutral radical hcoo  
448 O3H+ protonated ozone o3h+  
449 SO2H+ protonated sulfur dioxide so2h+  
450 C2H2O Oxirene oxirene  
451 CH2CS Thioketene ch2cs  
452 Be(OH)2 Beryllium hydroxide beo2h2  
453 Mg(OH)2 Magnesium dihydroxide h2mgo2  
454 NH2NO Nitrosamide nh2no  
455 H2COO Dioxymethyl radical h2coo  
456 H2COO+ dioxymethyl cation h2coo+  
457 H2O3 Hydrogen trioxide h2o3  
458 HSSSH trisulfane hsssh  
459 NaOCH3 Sodium methoxide naoch3  
460 CH2BOH hydroxy(methylene)borane ch2boh  
461 BH3CO Borane carbonyl bh3co  
462 CH3BO Borane, methyloxo- ch3bo  
463 CH2CHO Vinyloxy radical ch2cho  
464 CH2COH+ ketene, protonated ch2coh+  
465 CH3CO- Acetyl anion ch3co-  
466 CH2NOH formaldoxime ch2noh  
467 CH3NO nitrosomethane ch3no  
468 CNOH3 1,2-oxaziridine cnoh3  
469 HOCHNH hydroxymethylimine hochnh  
470 CHSNH2 thioformamide chsnh2  
471 NHCHSH Methanimidothioic acid nhchsh  
472 CH2OOH CH2OOH radical ch2ooh  
473 CH3OO- methylperoxy anion ch3oo-  
474 CH3OO+ methylperoxy cation ch3oo+  
475 C2H4O+ ethylene oxide cation c2h4o+  
476 CH3CHO+ acetaldehyde cation ch3cho+  
477 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
478 CH2CHSH Ethenethiol ch2chsh  
479 H2CONH2+ protonated formamide h2conh2+  
480 NH2CHOH+ Formamide, O-protonated nh2choh+  
481 NH3CHO+ Formamide, N-Protonated nh3cho+  
482 CH2(OH)2 methanediol ch2o2h2  
483 CH3SSH Hydrogen methyl disulfide ch3ssh  
484 HSCH2SH Methanedithiol ch4s2  
485 H2OH2CO water formaldehyde dimer h2oh2co  
486 C2H4OH+ ethylene oxide, protonated c2h4oh+  
487 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
488 CH3CH2O Ethoxy radical ethoxy  
489 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
490 CH3CHOH+ acetaldehyde, protonated ch3choh+  
491 CH3OCH2 methoxymethyl radical ch3och2  
492 NH2CH2OH aminomethanol nh2ch2oh  
493 CH3SCH3+ dimethyl sulfide cation mesme+  
494 CH3SeCH3 dimethylselenide dmse  
495 CH3OHH2O methanol water dimer ch3ohh2o  
496 H2OCH3OH water methanol dimer h2och3oh  
497 CuF2 Copper difluoride cuf2  
498 ZnF2 Zinc difluoride znf2  
499 CNF iso cyanogen fluoride cnf  
500 ICN Cyanogen iodide icn  
501 FBO Boron monofluoride monoxide fbo  
502 BeF2 Beryllium fluoride bef2  
503 MgF2 Magnesium fluoride mgf2  
504 BeCl2 Beryllium chloride becl2  
505 CaCl2 Calcium Chloride cacl2  
506 ZnCl2 Zinc dichloride zncl2  
507 BeBr2 Beryllium bromide bebr2  
508 CaBr2 Calcium dibromide cabr2  
509 CaF2 Calcium difluoride caf2  
510 FCO Carbonyl fluoride fco  
511 FCO+ Carbonyl fluoride cation fco+  
512 ClCO carbonyl monochloride clco  
513 BF2 Boron difluoride radical bf2  
514 FNS Thionitrosyl fluoride fns  
515 FSN Thiazyl fluoride fsn  
516 OPCl Phosphorus oxychloride opcl  
517 BrNO Nitrosyl bromide brno  
518 INO Nitrosyl iodide ino  
519 CFCl chlorofluoromethylene cfcl  
520 SiF2 Silicon difluoride sif2  
521 SiF2+ Silicon difluoride cation sif2+  
522 CCl2- dichloromethylene anion ccl2-  
523 GeF2 Germanium difluoride gef2  
524 GeCl2 Germanium dichloride gecl2  
525 CBr2 dibromomethylene cbr2  
526 FOO+ Fluorine dioxide cation foo+  
527 OClO- Chlorine dioxide anion oclo-  
528 OClO+ Chlorine dioxide cation oclo+  
529 ClSO Sulfur chloride oxide clso  
530 BrOO Bromine dioxide broo  
531 OBrO Bromine dioxide radical obro  
532 PF2 Phosphorus difluoride pf2  
533 PF2+ Phosphorus difluoride cation pf2+  
534 FClO chlorosyl fluoride fclo  
535 ClOF Chlorine hypofluorite clof  
536 SeF2 Selenium difluoride sef2  
537 BrOCl Bromine hypochlorite brocl  
538 SeCl2 Selenium Dichloride secl2  
539 SBr2 Sulfur dibromide sbr2  
540 SeBr2 Selenium dibromide sebr2  
541 BrOBr Bromine oxide brobr  
542 F3- trifluoride anion f3-  
543 Cl3- trichloride anion cl3-  
544 Br3- tribromide anion br3-  
545 I3- triiodide i3-  
546 SFCl Sulfur chloride fluoride sfcl  
547 HCCF+ fluoroacetylene cation hccf+  
548 HCCCl Chloroacetylene hcccl  
549 HCCBr bromoacetylene hccbr  
550 HFCO formyl fluoride hfco  
551 HFCO+ formyl fluoride cation hfco+  
552 COHCl Formyl chloride cohcl  
553 COHBr Formyl bromide cohbr  
554 CHCl2 dichloromethyl radical chcl2  
555 CHF2 difluoromethyl radical chf2  
556 CHF2+ difluoromethyl cation chf2+  
557 CHFCl Chlorofluoromethyl radical chfcl  
558 CHFCl+ Chlorofluoromethyl cation chfcl+  
559 CHCl2+ dichloromethyl cation chcl2+  
560 CHBr2 dibromomethyl radical chbr2  
561 HOClO Chlorous acid hoclo  
562 NHF2 difluoramine nhf2  
563 NHCl2 dichloroamine nhcl2  
564 SiH2F2 difluorosilane sih2f2  
565 CH2BrF Methane, bromofluoro- ch2fbr  
566 CH2BrCl Methane, bromochloro- ch2clbr  
567 CH2FI fluoroiodomethane ch2fi  
568 CH2ClI chloroiodomethane ch2cli  
569 CH2BrI bromoiodomethane ch2bri  
570 CH2I2 Diiodomethane ch2i2  
571 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
572 CH2CHF+ fluoroethene cation ch2chf+  
573 C2H3I Vinyl iodide c2h3i  
574 CH2FOH fluoromethanol ch2foh  
575 CH3OCl methyl hypochlorite ch3ocl  
576 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
577 CHClCH3 1-chloroethyl radical chclch3  
578 CH3SiFH2 fluoromethylsilane ch3sifh2  
579 C2H5I Ethyl iodide c2h5i  
580 KrF2 Krypton difluoride krf2  
581 XeF2 Xenon difluoride xef2  
582 B4H10 Tetraborane(10) b4h10  
583 C4 Carbon tetramer c4  
584 C4+ Carbon tetramer cation c4+  
585 C4H2 Diacetylene c4h2  
586 C4H2+ diacetlyene cation c4h2+  
587 C2H3CCH 1-Buten-3-yne c2h3cch  
588 C4H4 cyclobutadiene cbd  
589 C4H4 Tetrahedrane c4h4  
590 H2CCCCH2 Butatriene h2cccch2  
591 C4H6 1-Methylcyclopropene c3100047  
592 C4H6 Cyclobutene c822355  
593 C4H6 Methylenecyclopropane c6142730  
594 CH2CCHCH3 1,2-Butadiene butad12  
595 CH2CHCHCH2 1,3-Butadiene c106990  
596 CH3CCCH3 2-Butyne c503173  
597 CHCCH2CH3 1-Butyne c107006  
598 CH3CHCHCH2 methylallyl radical c4h7  
599 C4H8 methylcyclopropane mcp  
600 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
601 CH2CHCH2CH3 1-Butene bute1  
602 CH3CHCHCH3 2-Butene, (E)- bute2e  
603 CH3CHCHCH3 2-Butene, (Z)- bute2z  
604 B(CH3)3 trimethylborane bme3  
605 Al(CH3)3 trimethyl aluminum tma  
606 C(CH3)3 Tert-butyl radical tbutyl  
607 CH2CH(CH3)2 Isobutyl radical isobutyl  
608 CH3CHCH2CH3 2-Butyl radical butyl2  
609 CH3CH(CH3)CH3 Isobutane isobutane  
610 CH3CH2CH2CH3 Butane butane  
611 SiH(CH3)3 trimethylsilane trimsi  
612 Li3N trilithium nitride li3n  
613 C2N2 Cyanogen c2n2  
614 C2N2+ Cyanogen cation c2n2+  
615 P4 Phosphorus tetramer p4  
616 As4 Arsenic tetramer as4  
617 HCCCN Cyanoacetylene hcccn  
618 HCCCN+ Cyanoacetylene cation hcccn+  
619 H2CNCN cyanamide, methylene ch2ncn  
620 HNCCNH Ethenediimine hnccnh  
621 C3H3N acrylonitrile ch2chcn  
622 C3H3N+ acrylonitrile cation ch2chcn+  
623 CH3N3 methyl azide ch3n3  
624 NH2CCNH2 Diaminoacetylene daa  
625 NH2CH2CN Aminoacetonitrile aan  
626 CH3NHN2+ methyl azide, protonated ch3nhn2+  
627 C2H5CN ethyl cyanide c2h5cn  
628 CH5N3 Guanidine guanidine  
629 C4H6 Bicyclo[1.1.0]butane c157335  
630 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
631 H2NCHCHNH2 diaminoethylene dae  
632 CH6N3+ guanidinium ch6n3+  
633 C3H7N Cyclopropylamine cpram  
634 CH7N3 triaminomethane tam  
635 C3H7N Azetidine azet  
636 C4H8 cyclobutane cbutane  
637 C2H8N2 Ethylenediamine ethdiam  
638 CH3NHNHCH3 dimethyl hydrazine dmh  
639 CH3CH(NH2)CH3 2-Propanamine pram2  
640 N(CH3)3 Trimethylamine trimeam  
641 NH2CH2CH2CH3 1-Propanamine pram1  
642 P(CH3)3 trimethylphosphine tmp  
643 N(SiH3)3 trisilylamine tsa  
644 As(CH3)3 trimethyl arsine tmas  
645 (CH3)3NH+ protonated trimethyl amine ptma  
646 C3H7NH3+ n-propylamine, protonated c3h7nh2  
647 Li2O2 dilithium dioxide li2o2  
648 Na2O2 disodium dioxide na2o2  
649 K2O2 dipotassium dioxide k2o2  
650 C3O Tricarbon monoxide c3o  
651 B2O2 Diboron dioxide b2o2  
652 ONNO NO dimer onno  
653 S2N2 Disulfur dinitride s2n2  
654 CO3 Carbon trioxide co3  
655 CS3-- Carbonotrithioate cs3--  
656 NO3 Nitrogen trioxide no3  
657 NO3- nitrate anion no3-  
658 NO3+ nitrogen trioxide cation no3+  
659 SO3 Sulfur trioxide so3  
660 SO3-- Sulfate dianion so3--  
661 SO3+ Sulfur trioxide cation so3+  
662 SeO3 selenium trioxide seo3  
663 S4 Sulfur tetramer s4  
664 TeO3 Tellurium trioxide teo3  
665 HCO3- bicarbonate anion hco3-  
666 HNO3 Nitric acid hno3  
667 HSO3 Hydroxysulfonyl radical hso3  
668 NH2NO2 nitramide nh2no2  
669 C2H2CO cyclopropenone c2h2co  
670 C3H2O Propadienal c3h2o  
671 HCCCHO 2-propynal hcccho  
672 C2H2O2 Ethanedial c2h2o2  
673 C2H2O2+ Ethanedial cation c2h2o2+  
674 H2CO3 Carbonic acid h2co3  
675 H2CS3 thiocarbonic acid h2cs3  
676 H2NO3+ Nitric Acid, Protonated h2no3+  
677 H2SO3 Sulfurous acid h2so3  
678 C2H3NO Nitrosoethylene c2h3no  
679 CH3NCO methylisocyante ch3nco  
680 HOCH2CN cyanomethanol hoch2cn  
681 CH3NO2 Methane, nitro- ch3no2  
682 CH3ONO Methyl nitrite ch3ono  
683 NH2COOH Carbamic acid nh2cooh  
684 H3BO3 Boric acid h3bo3  
685 H3AlO3 Aluminum hydroxide h3alo3  
686 H3CO3+ carbonic acid, protonated h3co3+  
687 C3H4O 2-Propyn-1-ol c107197  
688 C3H4O allenol c9000071  
689 C3H4O Cyclopropanone cpone  
690 C3H4O Methylketene c6004440  
691 CH2CHCHO Acrolein c3h4o  
692 NH2CONH2 Urea urea  
693 NH2CONH2+ Urea cation urea+  
694 NH2CSNH2 Thiourea thiourea  
695 C2H4O2 1,3-dioxetane c2h4o2  
696 CH3COOH Acetic acid ch3cooh  
697 CH3OCHO methyl formate ch3ocho  
698 CHOCH2OH hydroxy acetaldehyde haa  
699 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
700 NH3COOH+ protonated Carbamic acid nh3cooh+  
701 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
702 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
703 HCOOHH2O Formic acid water dimer hcoohh2o  
704 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
705 CH3COCH2 Acetonyl radical ch3coch2  
706 CH2C(OH)NH2 1-amino vinyl alchohol ava  
707 CH3C(OH)=NH Ethaninidic acid eia  
708 CH3CHNOH Acetaldoxime acetaldoxime  
709 CH3CONH2 Acetamide acetamide  
710 HCONHCH3 N-methylformamide nmfa  
711 CH3CSNH2 Ethanethioamide ch3csnh2  
712 CH5N2O+ urea, N-protonated ch4n2o+  
713 H2NCOHNH2+ urea, protonated ureah+  
714 C2H5OO ethylperoxy radical c2h5oo  
715 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
716 C3H5OH Cyclopropanol cproh  
717 C3H6O 2-Propen-1-ol c107186  
718 C3H6O Acetone enol enol  
719 C3H6O Oxetane oxetane  
720 C3H6O Propylene oxide prox  
721 CH3CH2CHO Propanal propanal  
722 CH3COCH3 Acetone acetone  
723 CH3COCH3- acetone anion ch3coch3-  
724 C3H6S Thietane thietane  
725 C3H6S Thiirane, methyl- methiirane  
726 CH3CSCH3 Thioacetone ch3csch3  
727 C2H6O2 1,2-Ethanediol ethdiol  
728 CH3OOCH3 dimethylperoxide dmp  
729 CH3SOCH3 Dimethyl sulfoxide dmso  
730 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
731 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
732 CH3COHCH3+ acetone, protonated acetoneh+  
733 HOCH2CH2NH2 monoethanolamine mea  
734 C3H7OH 1-Propanol proh  
735 CH3CHOHCH3 Isopropyl alcohol isoproh  
736 CH3OC2H5 Ethane, methoxy- etome  
737 C3H7SH 1-Propanethiol prsh  
738 CH3CHSHCH3 2-Propanethiol isoprsh  
739 CH3SCH2CH3 Ethane, (methylthio)- etsme  
740 H2OCH3OCH3 water dimethylether dimer h2och3och3  
741 Li2F2 Lithium fluoride dimer li2f2  
742 Na2F2 Sodium Fluoride Dimer na2f2  
743 Na2Cl2 Disodium dichloride na2cl2  
744 C2F2 difluoroacetylene c2f2  
745 C2Cl2 dichloroacetylene c2cl2  
746 C2Cl2+ dichloroacetylene cation c2cl2+  
747 FNO2 Nitryl fluoride fno2  
748 FONO Nitrosyl hypofluorite fono  
749 ClNO2 Nitryl chloride clno2  
750 ClONO chlorine nitrite clono  
751 BrONO Bromine nitrite brono  
752 N2F2 (Z)-Difluorodiazene n2f2_z  
753 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
754 CF2O Carbonic difluoride f2co  
755 CF2O+ Carbonic difluoride cation f2co+  
756 COFCl Carbonic chloride fluoride cofcl  
757 CCl2O Phosgene cl2co  
758 Cl2CS Thiophosgene cl2cs  
759 COBr2 Carbonic dibromide cobr2  
760 BF3 Borane, trifluoro- bf3  
761 BF3- Borane, trifluoro- anion bf3-  
762 BF3+ boron trifluoride cation bf3+  
763 AlF3 Aluminum trifluoride alf3  
764 BClF2 Chlorodifluoroborane bclf2  
765 AlF2Cl Aluminum chloride difluoride alclf2  
766 ScF3 Scandium trifluoride ScF3  
767 AlFCl2 Aluminum dichloride fluoride alcl2f  
768 BCl3 Borane, trichloro- bcl3  
769 BCl3+ Boron Trichloride cation bcl3+  
770 GaF3 Gallium trifluoride gaf3  
771 AlCl3 Aluminum trichloride alcl3  
772 GaCl3 Gallium trichloride gacl3  
773 BBr3 Boron tribromide bbr3  
774 AlBr3 Aluminum Bromide albr3  
775 ClO3 Chlorine trioxide clo3  
776 BrO3- Bromate anion bro3-  
777 CF3 Trifluoromethyl radical cf3  
778 CF2Cl difluorochloromethyl radical cf2cl  
779 SiF3 Silicon trifluoride radical sif3  
780 SiF3+ Silicon trifluoride cation sif3+  
781 CFCl2 dichlorofluoromethyl radical cfcl2  
782 CCl3 Trichloromethyl radical ccl3  
783 CCl3+ Trichloromethyl cation ccl3+  
784 SiCl3 trichlorosilyl radical sicl3  
785 SiCl3+ trichlorosilyl cation sicl3+  
786 CBr3 tribromomethyl radical cbr3  
787 FOOF Perfluoroperoxide foof  
788 ClO2F Chloryl fluoride clo2f  
789 F2SO Thionyl Fluoride f2so  
790 ClOOCl Dichlorine dioxide cloocl  
791 FSSF Difluorodisulfane fssf  
792 S2F2 Thio-thionyl fluoride s2f2  
793 SOCl2 thionyl chloride socl2  
794 SSCl2 Thiothionyl chloride sscl2  
795 SeOCl2 selenium oxychloride seocl2  
796 NF3 Nitrogen trifluoride nf3  
797 NF3+ Nitrogen trifluoride cation nf3+  
798 PF3 Phosphorus trifluoride pf3  
799 NCl3 nitrogen trichloride ncl3  
800 AsF3 Arsenic trifluoride asf3  
801 PCl3 Phosphorus trichloride pcl3  
802 SbF3 Antimony Trifluoride sbf3  
803 AsCl3 Arsenous trichloride ascl3  
804 SbCl3 Antimony Trichloride sbcl3  
805 NBr3 Nitrogen Tribromide nbr3  
806 PBr3 Phosphorus tribromide pbr3  
807 AsBr3 Arsenic tribromide asbr3  
808 NI3 Nitrogen triiodide ni3  
809 PI3 Phosphorus triiodide pi3  
810 ClSSCl Disulfur dichloride s2cl2  
811 SF3 Sulfur trifluoride sf3  
812 ClF3 Chlorine trifluoride clf3  
813 BrF3 Bromine trifluoride brf3  
814 IF3 iodone trifluoride if3  
815 HClO3 Chloric Acid hclo3  
816 CHF3 Methane, trifluoro- chf3  
817 CHF2Cl difluorochloromethane chf2cl  
818 SiHF3 trifluorosilane sihf3  
819 CHFCl2 fluorodichloromethane chfcl2  
820 CDCl3 trichloromethane-d cdcl3  
821 CHCl3 Chloroform chcl3  
822 CHBrF2 Methane, bromodifluoro- chbrf2  
823 SiHCl3 Trichlorosilane sihcl3  
824 CHFClBr fluorochlorobromomethane chfclbr  
825 CHBrCl2 Methane, bromodichloro- chbrcl2  
826 CHF2I difluoroiodomethane chf2i  
827 CHBr2F dibromofluoromethane chbr2f  
828 CHFClI fluorochloroiodomethane chfcli  
829 CHCl2I dichloroiodomethane chcl2i  
830 CHClBr2 Methane, dibromochloro- chclbr2  
831 CHBr3 bromoform chbr3  
832 CHI3 Iodoform chi3  
833 NF3H+ protonated nitrogen trifluoride nf3h+  
834 AsF3H+ Arsenic trifluoride, protonated asf3h+  
835 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
836 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
837 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
838 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
839 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
840 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
841 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
842 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
843 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
844 C2H2Br2 1,1-dibromoethene c2h2br2  
845 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
846 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
847 CH2FCHO Fluoroacetaldehyde ch2fcho  
848 CH3COF Acetyl fluoride ch3cof  
849 CH2ClCHO chloroacetaldehyde ch2clcho  
850 CH3COCl Acetyl Chloride ch3cocl  
851 C2H4F2 1,2-difluoroethane c2h4f2  
852 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
853 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
854 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
855 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
856 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
857 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
858 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
859 CH2CFCH3 2-fluoropropene 2fpro  
860 CH2CHCH2F Allyl Fluoride allylf  
861 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
862 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
863 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
864 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
865 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
866 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
867 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
868 CH2FCH2CH3 1-Fluoropropane prf1  
869 CH3CHFCH3 2-Fluoropropane prf2  
870 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
871 CH3CHClCH3 Propane, 2-chloro- prcl2  
872 CH3CH2CH2Br n-propyl bromide prbr  
873 CH3CHBrCH3 i-propyl bromide iprbr  
874 C3H9O+ trimethyl oxonium cation c3h9o+  
875 B5H9 pentaborane9 b5h9  
876 C5H4 pentatetraene ptrene  
877 C5H5 cyclopentadienyl radical c5h5  
878 C5H6 1,3-Cyclopentadiene c542927  
879 C5H6 1-Buten-3-yne, 2-methyl- c78808  
880 C5H6 3-Penten-1-yne, (E)- c2004695  
881 C5H6 3-Penten-1-yne, (Z)- c1574409  
882 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
883 C5H6 Cyclopropylacetylene c6746947  
884 C5H6 Propellane propellane  
885 C5H7 1,3-pentadienyl radical pdyl  
886 C5H7 cyclopentenyl radical cpyl  
887 C5H8 1,2-Butadiene, 3-methyl- c598254  
888 C5H8 1,2-Pentadiene c591957  
889 C5H8 1,3-Butadiene, 2-methyl- c78795  
890 C5H8 1,3-Pentadiene, (E)- c2004708  
891 C5H8 1,3-Pentadiene, (Z)- c1574410  
892 C5H8 1,4-Pentadiene c591935  
893 C5H8 1-pentyne a1pentyne  
894 C5H8 2,3-Pentadiene c591968  
895 C5H8 Bicyclo[1.1.1]pentane bcp  
896 C5H8 Cyclobutane, methylene- c1120565  
897 C5H8 Cyclopentene c142290  
898 C5H8 Ethenylcyclopropane c693867  
899 CH3CCCH2CH3 2-Pentyne 2pentyne  
900 C5H10 1-Butene, 2-methyl- c563462  
901 C5H10 2-Butene, 2-methyl- c513359  
902 C5H10 2-Pentene, (E)- c646048  
903 C5H10 2-Pentene, (Z)- c627203  
904 C5H10 Cyclopentane c287923  
905 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
906 CH2CHCH2CH2CH3 1-pentene pentene  
907 C5H11 2-Methylbut-2-yl radical c4348350  
908 C5H12 Butane, 2-methyl- buta2  
909 C5H12 Pentane pentane  
910 C5H12 Propane, 2,2-dimethyl- neopentane  
911 Si(CH3)4 tetramethylsilane tms  
912 N2O3 Dinitrogen trioxide n2o3  
913 C3H2N2 Malononitrile c3h2n2  
914 CH2N4 1H-Tetrazole 1htz  
915 C3H3N2 imidazolyl radical im  
916 C3H3N2- imidizolyl anion im-  
917 C2H3N3 1H-1,2,4-Triazole c288880  
918 C4H4N pyrrolide radical c4h4n  
919 C4H4N- pyrrolide anion c4h4n-  
920 C3H4N2 1H-Imidazole 1himidaz  
921 C3H4N2 1H-Pyrazole 1hpyraz  
922 C3H4N2 2H-Imidazole imid2h  
923 C3H4N2 4H-Imidazole imid4h  
924 C4H5N (E)-2-Butenenitrile c627269  
925 C4H5N (Z)-2-Butenenitrile c1190767  
926 C4H5N 2H-pyrrole pyrrole2  
927 C4H5N 3H-pyrrole pyrrole3  
928 C4H5N Cyclopropanecarbonitrile c5500210  
929 C4H5N Pyrrole pyrrole  
930 CH2CHCH2CN Allylcyanide ch2chch2cn  
931 C4H6N+ pyrrole, alpha-protonated appyr  
932 C4H6N+ pyrrole, beta-protonated bppyr  
933 C4H6N+ pyrrole, protonated ppyr  
934 C3H6N2 3-Aminopropionitrile c151188  
935 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
936 CH3CH2CH2CN Butanenitrile c109740  
937 C5H8 Bicyclo[2.1.0]pentane c185944  
938 C5H8 Spiropentane c157404  
939 C4H9N Cyclobutylamine cbam  
940 C4H9N Pyrrolidine pyrrolidine  
941 C3H10N2 1,2-Diaminopropane diampr12  
942 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
943 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
944 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
945 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
946 NH(C2H5)2 diethylamine dea  
947 NC4H12+ tetramethyl ammonium cation nc4h12+  
948 C3O2 Carbon suboxide c3o2  
949 C3O2+ Carbon suboxide cation c3o2+  
950 B2O3 diboron trioxide b2o3  
951 MgCO3 Magnesium Carbonate mgco3  
952 BeCO3 Beryllium Carbonate beco3  
953 CaCO3 Calcium Carbonate caco3  
954 ONONO Nitrosyl nitrite onono  
955 PO4--- phosphate po4---  
956 HOONO2 peroxy nitric acid hoono2  
957 HSO4- bisulfate anion hso4-  
958 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
959 C3H2O2 Propiolic acid c3h2o2  
960 CHOCOOH oxo acetic acid oaa  
961 CHOOCHO diformyl ether choocho  
962 H2SO4 Sulfuric acid h2so4  
963 H2SeO4 Selenic acid h2seo4  
964 C3H3NO Isoxazole isox  
965 C3H3NO Oxazole oxazole  
966 C3H3NS Thiazole thiazole  
967 CH3C(O)OO acetyl peroxy radical ch3coo2  
968 CH3NO3 Methyl nitrate ch3no3  
969 H3PO4 Phosphoric Acid h3po4  
970 C4H4O Furan furan  
971 C4H4O+ Furan cation furan+  
972 CH3COCCH 3-butyn-2-one c1423605  
973 C4H4S Thiophene furans  
974 C4H4Se selenophene c4h4se  
975 C3H4O2 β–Propiolactone beta  
976 C3H4O2 2-Propenoic acid propenoic2  
977 C3H4O2 Methyl glyoxal megly  
978 C3H4O2 propanedial propanedial  
979 C3H4O2 propenalol propenalol  
980 HOCHCCHOH allenediol aldiol  
981 C2H4O3 1,2,3-trioxolane c2h4o3  
982 C2H4O3 trioxolane124 triox  
983 HOCH2COOH Hydroxyacetic acid hac  
984 CH2CHCONH2 Acrylamide c79061  
985 CH3OCH2CN Methoxyacetonitrile c1738369  
986 CH5N3S Hydrazinecarbothioamide c79196  
987 H2NCH2COOH Glycine glycine  
988 CH3SO2NH2 methanesulfonamide ch3so2nh2  
989 C4H6O cis-2-butenal butenal2c  
990 C4H6O Cyclobutanone cbutone  
991 C4H6O Furan, 2,3-dihydro- furan23h  
992 C4H6O Furan, 2,5-dihydro- furan25h  
993 CH2CHOCHCH2 Vinyl ether vinylether  
994 CHOCHCHCH3 2-Butenal butenal2  
995 C4H6S Thiophene, 2,3-dihydro- thiop23h  
996 C4H6S Thiophene, 2,5-dihydro- thiop25h  
997 CH2CHSCHCH2 Divinyl sulfide divis  
998 C2H6N2O Urea, methyl- c598505  
999 C3H6O2 1,3-Dioxolane dioxolane  
1000 CH3CH2COOH Propanoic Acid propanoic  
1001 CH3COOCH3 methyl acetate aame  
1002 HCOOC2H5 Ethyl formate faee  
1003 C2H6O2S Dimethyl sulfone c67710  
1004 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1005 C3H7NO dimethylformamide dmf  
1006 C3H7NO Propanamide propanam  
1007 C2H3OC2H5 Ethene, ethoxy- c109922  
1008 C4H8O Cyclobutanol c2919235  
1009 C4H8O Furan, tetrahydro- thf  
1010 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1011 CH3COCH2CH3 2-Butanone buta2one  
1012 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1013 CHOCH2CH2CH3 Butanal butanal  
1014 C4H8S Thiophene, tetrahydro- tht  
1015 C3H8O2 1,3-Propanediol c504632  
1016 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1017 C3H8O2 Methane, dimethoxy- c109875  
1018 C3H8O2 Propylene glycol c57556  
1019 C3H8S2 1,3-Propanedithiol c109808  
1020 C4H10O 1-Butanol butanol1  
1021 C4H10O 1-Propanol, 2-methyl- c78831  
1022 C4H10O 2-Butanol, (.+/-.)- butanol2  
1023 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1024 C4H10O Ethoxy ethane etoet  
1025 C4H10O Methyl propyl ether meopr  
1026 C4H10O Propane, 2-methoxy- c598538  
1027 C4H10O+ 1-Butanol cation butanol1+  
1028 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1029 C2H5SC2H5 Diethyl sulfide etset  
1030 C4H9SH 1-Butanethiol bush  
1031 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1032 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1033 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1034 FNO3 Fluorine nitrate fno3  
1035 ClONO2 Chlorine nitrate clono2  
1036 BrONO2 Bromine nitrate brono2  
1037 TiCl4 Titanium tetrachloride ticl4  
1038 ClFO3 Perchloryl fluoride clfo3  
1039 SO2F2 Sulfuryl fluoride so2f2  
1040 SO2Cl2 Sulfuryl chloride so2cl2  
1041 F3NO Nitrogen trifluoride oxide f3no  
1042 F3PO Phosphoryl fluoride pf3o  
1043 Cl3PO Phosphoryl chloride pcl3o  
1044 CF4 Carbon tetrafluoride cf4  
1045 CF3Cl Methane, chlorotrifluoro- cf3cl  
1046 SiF4 Silicon tetrafluoride sif4  
1047 CF2Cl2 difluorodichloromethane cf2cl2  
1048 TiF4 Titanium tetrafluoride tif4  
1049 CFCl3 Trichloromonofluoromethane cfcl3  
1050 CF3Br Bromotrifluoromethane cf3br  
1051 GeF4 Germanium tetrafluoride gef4  
1052 CCl4 Carbon tetrachloride ccl4  
1053 CCl4+ Carbon tetrachloride cation ccl4+  
1054 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1055 SiCl4 Silane, tetrachloro- sicl4  
1056 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1057 CF3I trifluoroiodomethane cf3i  
1058 CBrCl3 Methane, bromotrichloro- cbrcl3  
1059 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1060 GeCl4 Germanium Tetrachloride gecl4  
1061 CBr2ClF dibromochlorofluoromethane cbr2clf  
1062 CBr2Cl2 dibromodichloromethane cbr2cl2  
1063 CCl3I trichloroiodomethane ccl3i  
1064 CFBr3 fluorotribromomethane cfbr3  
1065 CFClBrI fluorochlorobromoiodomethane cfclbri  
1066 CBr3Cl tribromochloromethane cbr3cl  
1067 CF2I2 difluorodiiodomethane cf2i2  
1068 CBr4 Carbon tetrabromide cbr4  
1069 CCl2I2 dichlorodiiodomethane ccl2i2  
1070 SiBr4 Silicon tetrabromide sibr4  
1071 CBr3I tribromoiododmethane cbr3i  
1072 GeBr4 Germanium tetrabromide gebr4  
1073 CI4 tetraiodomethane ci4  
1074 SiI4 silicon tetraiodide sii4  
1075 ClOF3 Chlorine trifluoride oxide clof3  
1076 SF4 Sulfur tetrafluoride sf4  
1077 SeF4 Selenium tetrafluoride sef4  
1078 SCl4 Sulfur tetrachloride scl4  
1079 C2HF3 Trifluoroethylene c2hf3  
1080 C2HF3+ Trifluoroethylene cation c2hf3+  
1081 CHClCCl2 Trichloroethylene chclccl2  
1082 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1083 HClO4 perchloric acid hclo4  
1084 HSO3F Fluorosulfonic acid hso3f  
1085 CF3OH trifluoromethanol cf3oh  
1086 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1087 CHClCCHCl 1,3-dichloroallene chclcchcl  
1088 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1089 CHCl2CHO dichloroacetaldehyde chcl2cho  
1090 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1091 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1092 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1093 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1094 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1095 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1096 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1097 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1098 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1099 NH3BCl3 Amminetrichloroboron nh3bcl3  
1100 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1101 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1102 C3H5ClO Oxirane, (chloromethyl)- c106898  
1103 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1104 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1105 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1106 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1107 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1108 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1109 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1110 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1111 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1112 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1113 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1114 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1115 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1116 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1117 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1118 C4H9F 1-fluorobutane butaf1  
1119 CH3CHFCH2CH3 2-fluorobutane butaf2  
1120 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1121 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1122 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1123 XeF4 Xenon tetrafluoride xef4  
1124 C2H2N2O Furazan furazan  
1125 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1126 NH3BF3 Amminetrifluoroboron nh3bf3  
1127 C6H2 hexatriyne c6h2  
1128 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1129 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1130 C6H4 Benzyne benzyne  
1131 C6H5 phenyl phenyl  
1132 C6H5- phenyl anion phenyl-  
1133 C6H6 Prismane prismane  
1134 C6H6 1,2,4,5-Hexatetraene ht1245  
1135 C6H6 2,4-Hexadiyne hexadiyne  
1136 C6H6 3,4-Dimethylenecyclobutene cb34m  
1137 C6H6 Benzene benzene  
1138 C6H6 Benzvalene bv  
1139 C6H6 Dewar Benzene dewar  
1140 C6H6 Hexa-1,5-diene-3-yne hdy153  
1141 C6H6 Trimethylenecycopropane tmcp  
1142 C6H6+ Benzene cation c6h6+  
1143 C6H7+ benzene, protonated c6h7+  
1144 C6H8 (E)-hexa-1,3,5-triene c821078  
1145 C6H8 (E)-hexa-2,3,4-triene c59660650  
1146 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1147 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1148 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1149 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1150 C6H8 3-Methylenecyclopentene c930267  
1151 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1152 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1153 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1154 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1155 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1156 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1157 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1158 C6H10 1,5-Hexadiene c592427  
1159 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1160 C6H10 1-Hexyne hexyne1  
1161 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1162 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1163 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1164 C6H10 2-Hexyne c764352  
1165 C6H10 3-Hexyne hexyne3  
1166 C6H10 cyclohexene cyclohexene  
1167 C6H10 Cyclopentene, 1-methyl- c693890  
1168 C6H10 Cyclopentene, 3-methyl- c1120623  
1169 C6H10 Cyclopentene, 4-methyl- c1759815  
1170 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1171 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1172 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1173 C6H12 (E)-2-Hexene e2hexene  
1174 C6H12 (E)-3-methylpent-2-ene c616126  
1175 C6H12 (E)-hex-3-ene e3hexene  
1176 C6H12 (Z)-3-methylpent-2-ene c922623  
1177 C6H12 (Z)-hex-2-ene z2hexene  
1178 C6H12 (Z)-hex-3-ene z3hexene  
1179 C6H12 2,3-dimethylbut-1-ene c563780  
1180 C6H12 2,3-dimethyl-but-2-ene tmeet  
1181 C6H12 3-methylenepentane c760214  
1182 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1183 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1184 C6H12 Cyclohexane cyclohexane  
1185 C6H12 Cyclopentane, methyl- c96377  
1186 C6H12 Ethylcyclobutane c4806615  
1187 C6H12 hex-1-ene hexene1  
1188 C6H14 Butane, 2,2-dimethyl- buta22  
1189 C6H14 Butane, 2,3-dimethyl- buta23  
1190 C6H14 Hexane hexane  
1191 C6H14 Pentane, 2-methyl- penta2  
1192 C6H14 Pentane, 3-methyl- penta3  
1193 C4N2 2-Butynedinitrile c4n2  
1194 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1195 C4H2N2 Fumaronitrile c4h2n2  
1196 C2H2N4 sym-tetrazine ttz  
1197 C3H3N3 1,3,5-Triazine triazine135  
1198 CH3N5 5-Aminotetrazole c4418615  
1199 C4H4N2 1,3-Diazine diazine13  
1200 C4H4N2 Pyrazine pyrazine  
1201 C4H4N2 Pyridazine pyridazine  
1202 C4H4N2 Succinonitrile c110612  
1203 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1204 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1205 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1206 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1207 C5H5N E-2,4-pentadienenitrile bdcn  
1208 C5H5N Pyridine pyridine  
1209 B3N3H6 borazine borazine  
1210 C6H6 Fulvene fulvene  
1211 C5H6N+ Pyridinium c5h6n  
1212 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1213 C5H7N (E)-2-Pentenenitrile c26294984  
1214 C5H7N (E)-3-Pentenenitrile c16529661  
1215 C5H7N (Z)-2-Pentenenitrile c25899507  
1216 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1217 C5H7N Cyclobutanecarbonitrile c4426113  
1218 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1219 C5H9N Butanenitrile, 2-methyl- c18936179  
1220 C5H9N Pentanenitrile c110598  
1221 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1222 C6H10 Bicyclo[3.1.0]hexane c285585  
1223 C5H11N Cyclopentanamine cypentam  
1224 C5H11N Piperidine piper  
1225 C4H12N2 1,2-Butanediamine c4426486  
1226 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1227 Li2CO3 Lithium Carbonate li2co3  
1228 Na2CO3 Sodium Carbonate na2co3  
1229 C2O4-- oxalate anion c2o4  
1230 MgSO4 Magnesium Sulfate mgso4  
1231 N2O4 Dinitrogen tetroxide n2o4  
1232 C3H2O3 vinylene carbonate vica  
1233 C2H2O4 Oxalic Acid oxalic  
1234 C2H3NO3 Oxamic acid oxamic  
1235 C4H4O2 2(5H)-Furanone furanone  
1236 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1237 C2H4N2O2 Oxalamide oxalamide  
1238 C2H4N2S2 Ethanedithioamide c79403  
1239 C2H4CO3 Ethylene carbonate etco3  
1240 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1241 C3H4S3 1,3-Dithiolane-2-thione c822388  
1242 C2H4O4 Formic acid dimer fadimer  
1243 C4H5NO 3-Methylisoxazole isox3m  
1244 C4H5NO Isoxazole, 5-methyl- c5765446  
1245 C4H5NS 4-Methylthiazole c693958  
1246 C2H5NO3 Nitric acid, ethyl ester c625581  
1247 C5H6O 2H-Pyran pyran2  
1248 C5H6O 2-methylfuran furan2m  
1249 C5H6O 3-Methylfuran furan3m  
1250 C5H6O Pentadienal pdal  
1251 C5H6S Thiophene, 2-methyl- c554143  
1252 C5H6S Thiophene, 3-methyl- c616444  
1253 C4H6O2 γ–Butyrolactone c96480  
1254 C4H6O2 2,3-Butanedione c431038  
1255 C4H6O2 2-Propenoic acid, methyl ester c96333  
1256 C4H6O2 Crotonic Acid crot  
1257 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1258 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1259 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1260 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1261 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1262 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1263 C4H6OS Vinyl sulfoxide c1115157  
1264 CH6N4S Carbonothioic dihydrazide thiacarb  
1265 C2H6N2O2 (E)-Azodioxymethane c37765154  
1266 C2H6N2O2 Dimethylnitroamine c4164287  
1267 C3H6O3 1,3,5-Trioxane trioxane  
1268 C3H6S3 1,3,5-Trithiane c3h6s3  
1269 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1270 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1271 C4H7NO 2-Pyrrolidinone c616455  
1272 C4H7NO Ethoxyacetonitrile etoaccn  
1273 C4H7NO Methacrylamide c79390  
1274 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1275 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1276 C3H7ONO Propyl nitrite prono  
1277 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1278 CH3CH(NH2)COOH Alanine alanine  
1279 CH3NHCH2COOH Sarcosine sarcosine  
1280 NH2CH2CH2COOH β–alanine betaalanine  
1281 NH2COOC2H5 Urethane urethane  
1282 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1283 C5H8O Cyclopentanone c120923  
1284 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1285 C5H8O Methyl cyclopropyl ketone c765435  
1286 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1287 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1288 NH2CONHC2H5 Urea, ethyl- c625525  
1289 C4H8O2 1,3-Dioxane dioxan13  
1290 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1291 C4H8O2 1,4-Dioxane dioxan14  
1292 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1293 C4H8O2 Ethyl acetate c141786  
1294 C4H8OS s-Ethyl thioacetate c625605  
1295 C3H8O3 1,2,3-Propanetriol glycerin  
1296 C3H8O2S (Methylsulfonyl)ethane c594434  
1297 C4H9NO Butanamide c541355  
1298 C4H9NO Propanamide, 2-methyl- c563837  
1299 C5H10O 2-Butanone, 3-methyl- c563804  
1300 C5H10O 2H-Pyran, tetrahydro- c142687  
1301 C5H10O 2-methylbutyraldehyde 2meba  
1302 C5H10O 2-Pentanone mpk  
1303 C5H10O 3-Pentanone dek  
1304 C5H10O Cyclopentanol c96413  
1305 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1306 C5H10O Pentanal pal  
1307 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1308 C5H10S 3-Ethylthio-1-propene c5296628  
1309 C5H10S Cyclopentanethiol c1679078  
1310 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1311 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1312 C4H10O2 1,1-Dimethoxyethane c534156  
1313 C4H10O2 1,3-Butanediol budiol13  
1314 C4H10O2 1,4-Butanediol budiol14  
1315 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1316 C4H10OS Diethyl sulfoxide c70291  
1317 C4H10S2 1,4-Butanedithiol budisl14  
1318 C4H11NO Diethylhydroxylamine c3710847  
1319 C5H12O 1-Butanol, 2-methyl- c137326  
1320 C5H12O 1-Butanol, 3-methyl- c123513  
1321 C5H12O 1-Pentanol pentanol1  
1322 C5H12O 2-Butanol, 3-methyl- c598754  
1323 C5H12O 2-Pentanol peol2  
1324 C5H12O 3-Pentanol pentan3ol  
1325 C5H12O Butane, 1-methoxy- meobu  
1326 C5H12O Propane, 1-ethoxy- proet  
1327 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1328 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1329 C5H12S 1-Butanethiol, 3-methyl- c541311  
1330 C5H12S 1-Pentanethiol c110667  
1331 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1332 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1333 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1334 C5H12S Butane, 1-(methylthio)- c628295  
1335 C5H12S Ethyl propyl sulfide c4110503  
1336 C5H12S Propane, 2-(ethylthio)- c5145993  
1337 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1338 C4F2 difluorobutadiyne c4f2  
1339 ClCOClCO Oxalyl chloride oxcl  
1340 CF3CN Acetonitrile, trifluoro- cf3cn  
1341 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1342 B2F4 Diboron tetrafluoride b2f4  
1343 B2Cl4 Diboron tetrachloride b2cl4  
1344 C2F4 Tetrafluoroethylene c2f4  
1345 C2F4+ Tetrafluoroethylene cation c2f4+  
1346 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1347 CF2CCl2 difluorodichloroethylene cf2ccl2  
1348 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1349 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1350 C2FCl3 fluorotrichloroethene c2fcl3  
1351 C2Cl4 Tetrachloroethylene c2cl4  
1352 C2Br4 tetrabromoethene c2br4  
1353 CF3OF Trifluoromethylhypofluorite cf3of  
1354 SiF5- silicon pentafluoride anion sif5-  
1355 SOF4 Sulfur tetrafluoride oxide sof4  
1356 PF5 Phosphorus pentafluoride pf5  
1357 AsF5 Arsenic pentafluoride asf5  
1358 PCl5 Phosphorus pentachloride pcl5  
1359 SF5 Sulfur pentafluoride sf5  
1360 SF5+ pentafluoro sulfur cation sf5+  
1361 SbCl5 Antimony pentachloride sbcl5  
1362 BrF5 bromine pentafluoride brf5  
1363 ClF5 chlorinepentafluoride clf5  
1364 IF5 pentafluoroiodine if5  
1365 CF3CHO trifluoroacetaldehyde cf3cho  
1366 CCl3CHO trichloroacetaldehyde ccl3cho  
1367 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1368 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1369 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1370 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1371 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1372 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1373 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1374 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1375 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1376 CF3COOH trifluoroacetic acid cf3cooh  
1377 C4H3ClO Furan, 2-chloro fur2cl  
1378 C4H3ClO Furan,3-chloro fur3cl  
1379 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1380 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1381 C4H8Cl2 1,4-Dichlorobutane c110565  
1382 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1383 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1384 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1385 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1386 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1387 C5H11Cl Pentane, 1-chloro- pencl1  
1388 C4H8O2 Butanoic acid bua  
1389 C6H5CH2 benzyl radical benzyl  
1390 C7H7 cycloheptatrienyl radical c7h7  
1391 C7H7+ cycloheptatrienyl cation c7h7+  
1392 C6H5CH3 toluene toluene  
1393 C7H8 cycloheptatriene cht  
1394 C7H8 Norbornadiene norbor  
1395 C7H8 Quadricyclane qucy  
1396 C7H12 Norbornane nor  
1397 C7H14 cycloheptane c7h14  
1398 C7H16 2-methylhexane 2mhex  
1399 C7H16 3-methylhexane hex3m  
1400 C7H16 heptane heptane  
1401 CH(CN)3 tricyanomethane mecn3  
1402 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1403 C6H7N 2-Methylpyridine mp  
1404 C6H5NH2 aniline aniline  
1405 C6H13N 2-Methylpiperidine pip2m  
1406 C6H13N cyclohexanamine cham  
1407 C6H15N triethylamine tea  
1408 N2O5 Dinitrogen pentoxide n2o5  
1409 C4H2O3 Maleic Anhydride malan  
1410 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1411 C5H4O2 furfural furfural  
1412 C6H5O phenoxy radical phenoxy  
1413 C5H5NO 2(1H)-Pyridinone c72762006  
1414 C5H5NO 2(3H)-Pyridinone c9000048  
1415 C5H5NO 2(5H)-Pyridinone c9000037  
1416 C5H5NO 2-Pyridinol c109104  
1417 C5H5NO 3(2H)-Pyridinone c9000004  
1418 C5H5NO 3(4H)-Pyridinone c9000026  
1419 C5H5NO 3(6H)-Pyridinone c9000015  
1420 C5H5NO 3-Pyridinol c109002  
1421 C5H5NO 4(1H)-Pryidinone c9000060  
1422 C5H5NO 4(3H)-Pryidinone c9000059  
1423 C5H5NO 4-Pyridinol c626642  
1424 C6H5OH phenol phenol  
1425 C6H6O 2,4-Cyclohexadienone c24599573  
1426 C6H6O 2,5-Cyclohexadienone c5664335  
1427 C6H5SH Benzenethiol phsh  
1428 HO2CCHNH2CH2OH Serine serine  
1429 C5H8O2 Acetylacetone acac  
1430 C4H8O2S Sulfolane sulfolane  
1431 C7H10 Norbornene norbornene  
1432 CH(C2H3)3 trivinyl methane tvm  
1433 C6H10O cyclohexanone chexo  
1434 C6H12O hexanal c6h12o  
1435 C6H12O Oxepane oxepane  
1436 C3H7OC3H7 di-n-propyl ether propr  
1437 F2CCCF2 tetrafluoroallene pfa  
1438 CF3COO- trifluoro acetate anion cf3coo-  
1439 CF3COF trifluoroacetyl fluoride cf3cof  
1440 CF3COCl trifluoroacetyl chloride cf3cocl  
1441 PF6 Hexafluorophosphate neutral pf6  
1442 PF6- Hexafluorophosphate ion pf6-  
1443 SF6 Sulfur Hexafluoride sf6  
1444 SeF6 Selenium hexafluoride sef6  
1445 SF5Cl sulfur chloropentafluoride sf5cl  
1446 CF3CHF2 pentafluoroethane cf3chf2  
1447 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1448 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1449 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1450 CCl3CHCl2 pentachloroethane ccl3chcl2  
1451 C6H5F Fluorobenzene bzf  
1452 C6H5Cl chlorobenzene bzcl  
1453 C6H5Br bromobenzene bzbr  
1454 C8H6 Calicene calicene  
1455 C6H5CCH phenylacetylene phac  
1456 C8H6 benzocyclobutadiene bcbd  
1457 C8H6 Pentalene pentalene  
1458 C6H5CHCH2 Styrene styrene  
1459 C8H8 cubane cubane  
1460 C8H8 cyclooctatetraene cot  
1461 C6H5CH2CH3 Ethylbenzene etbz  
1462 CH3C6H4CH3 meta-xylene mxylene  
1463 CH3C6H4CH3 paraxylene pxylene  
1464 C8H14 Bicyclo[2.2.2]octane bico222  
1465 C8H16 cyclooctane cyclooct  
1466 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1467 C8H18 Octane c8h18  
1468 C6H5CN phenyl cyanide phcn  
1469 C6H12N2 Triethylenediamine ted  
1470 C4O4-- squarate dianion c4o4--  
1471 S4N4 Tetrasulfur tetranitride s4n4  
1472 S8 Octasulfur s8  
1473 C6H4O2 parabenzoquinone pbq  
1474 C4H4N2O2 Uracil uracil  
1475 C6H5CHO benzaldehyde benzal  
1476 C6H5OCH3 Anisole anisole  
1477 C5H9NO2 Proline proline  
1478 C6H12O2 Methyl pivalate c598981  
1479 C6H12O2 Hexanoic acid hexa  
1480 C4F4 tetrafluorcyclobutadiene c4f4  
1481 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1482 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1483 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1484 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1485 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1486 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1487 C2Cl6 hexachloroethane c2cl6  
1488 IF7 Iodine heptafluoride if7  
1489 C6H4F2 metadifluorobenzene mdfb  
1490 C6H4F2 orthodifluorobenzene odfb  
1491 C6H4F2 1,4-difluorobenzene pdfb  
1492 C6H4Cl2 1,2-dichlorobenzene dcb12  
1493 C6H4Cl2 1,3-dichlorobenzene dcb13  
1494 C6H4Cl2 1,4-dichlorobenzene dcb14  
1495 C6H5NO nitrosobenzene bzno  
1496 C9H8 Indene indene  
1497 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1498 C9H12 n-propyl benzene prbz  
1499 C9H20 Nonane nonane  
1500 C(CN)4 tetracyanomethane c5n4  
1501 C5H4N4 purine purine  
1502 C8H7N Indole indole  
1503 C3H3N3O3 cyanuric acid cyanuric  
1504 C6H5NO2 Nitrobenzene c6h5no2  
1505 C6H5COOH benzoic acid benzo  
1506 CH3COC6H5 acetophenone acph  
1507 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1508 C3F6 hexafluoropropene c3f6  
1509 C6H3F3 Benzene trifluoride 123 bzf3a  
1510 C8H18O 1-Octanol octanol  
1511 C10H8 Azulene azu  
1512 C10H8 naphthalene naph  
1513 C10H10 bullvalene bullv  
1514 C10H16 adamantane adamantane  
1515 C6N4 Tetracyanoethylene tcne  
1516 C6N4- tetracyanoethylene anion tcne-  
1517 C10H22 Decane decane  
1518 C4F6 perfluorobutadiene c4f6  
1519 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1520 C3F8 perfluoropropane c3f8  
1521 Fe(CO)5 Iron pentacarbonyl ipc  
1522 Fe(C5H5)2 ferrocene fecp2  
1523 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1524 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1525 C12H8 Acenaphthylene acenaph  
1526 C12H8 biphenylene biph  
1527 C12H10 biphenyl biphenyl  
1528 C12H10 Heptalene heptalene  
1529 C6H12O6 Inositol inositol  
1530 C6F6 hexafluorobenzene c6f6  
1531 S2F10 disulphur decafluoride s2f10  
1532 C13H10 Fluorene fluorene  
1533 C14H10 Anthracene anth  
1534 C14H10 Phenanthrene phenanthrene  
1535 C14H14 Bibenzyl bibenzyl  
1536 C12H10N2 azobenzene azobenzene  
1537 C6H5COC6H5 benzophenone benzophenone  
1538 C16H10 Pyrene pyrene  
1539 C18H12 Tetracene tetracene  
1540 C19H16 Triphenylmethane tpm  
1541 C24H12 Coronene coronene  
1542 C60 Buckminsterfullerene c60