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 SVWN /aug-cc-pCVTZ

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count Species Name State Conformation
1 SiH Silylidyne 2ΠC∞v
2 SiH3 Silyl radical 2A1C3v
3 SiH3+ Silyl cation 1A1'D3h
4 PH3 Phosphine 1A1C3v
5 H2S Hydrogen sulfide 1A1C2v
6 Ar Argon atom 1SKh
7 ArH+ Argon hydride cation 1ΣC∞v
8 NaLi lithium sodium 1ΣC∞v
9 Na2 Sodium diatomic 1ΣgD∞h
10 NaAl Sodium aluminum 1ΣC∞v
11 B2 Boron diatomic 3ΣgD∞h
12 B2+ Boron diatomic cation 2ΠD∞h
13 B2H4 Diborane(4) D2d 1A1D2d
14 HBHHBH Diborane(4) C2V 1A1C2v
15 Si2H6 disilane 1EuD3d
16 SiN Silicon nitride 2ΣC∞v
17 PN Phosphorus mononitride 1ΣC∞v
18 BH3PH3 borane phosphine   
19 SiO Silicon monoxide 1ΣC∞v
20 NS Mononitrogen monosulfide 2ΠC∞v
21 PO Phosphorus monoxide 2ΠC∞v
22 O2 Oxygen diatomic 3ΣgD∞h
23 O2-- dioxygen dianion   
24 SO Sulfur monoxide 3ΣC∞v
25 SO Sulfur monoxide 1ΣC∞v
26 HBS hydrogen boron sulfide 1ΣC∞v
27 HNO Nitrosyl hydride 1A'Cs
28 HO2 Hydroperoxy radical 2A"Cs
29 H2CO Formaldehyde 1A1C2v
30 H2S2 Disulfane 1AC2
31 BF Boron monofluoride 1ΣC∞v
32 CF Fluoromethylidyne 2ΠC∞v
33 SiF silicon monofluoride 2ΠC∞v
34 SiF+ silicon monofluoride cation 1ΣC∞v
35 ClO Monochlorine monoxide 2ΠC∞v
36 SF Monosulfur monofluoride 2ΠC∞v
37 SF+ sulfur monofluoride cation 3ΣC∞v
38 SCl+ sulfur monochloride cation 3ΣgC∞v
39 Cl2 Chlorine diatomic 1ΣgD∞h
40 HOF Hypofluorous acid 1A'Cs
41 HOCl hypochlorous acid 1A'Cs
42 CH3Cl Methyl chloride 1A1C3v
43 SiH3F monofluorosilane 1A1C3v
44 SiC2 Silicon dicarbide   
45 Si3H8 trisilane   
46 AlNC Aluminum isocyanide   
47 Na2S Sodium sulfide   
48 Na2S Sodium sulfide   
49 N2O Nitrous oxide 1ΣC∞v
50 SO2 Sulfur dioxide 1A1C2v
51 ClNO Nitrosyl chloride 1A'Cs
52 OPCl Phosphorus oxychloride   
53 CF2 Difluoromethylene 1A1D∞h
54 SiF2 Silicon difluoride 1A1C2v
55 FClO chlorosyl fluoride 1A'Cs
56 ClOF Chlorine hypofluorite 1A'Cs
57 SF2 sulfur difluoride 1A1C2v
58 HCCF Fluoroacetylene 1ΣC∞v
59 CH2F2 Methane, difluoro- 1A1C2v
60 SiH2F2 difluorosilane   
61 SiH2Cl2 dichlorosilane 1A1C2v
62 S2N2 Disulfur dinitride 1AGD2h
63 CF2O Carbonic difluoride 1A1C2v
64 ClO2F Chloryl fluoride 1A'Cs
65 CHF3 Methane, trifluoro- 1A1C3v
66 SiHF3 trifluorosilane   
67 SiF5- silicon pentafluoride anion   

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 anion h-  
6 H+ Hydrogen atom cation h+  
7 D2 Deuterium diatomic d2  
8 H2 Hydrogen diatomic h2  
9 H2- hydrogen diatomic anion h2-  
10 H2+ Hydrogen cation h2+  
11 HD Deuterium hydride hd  
12 H3+ hydrogen trimer cation h3+  
13 He Helium atom he  
14 He- Helium atom anion he-  
15 He+ Helium atom cation he+  
16 HeH Helium hydride heh  
17 HeH+ Helium hydride cation heh+  
18 He2+ helium diatomic cation he2+  
19 Li Lithium atom li  
20 Li- Lithium atom anion li-  
21 Li+ Lithium atom cation li+  
22 Na Sodium atom na  
23 Na- Sodium atom anion na-  
24 Na+ Sodium atom cation na+  
25 K Potassium atom k  
26 K- Potassium atom anion k-  
27 K+ Potassium atom cation k+  
28 Cu Copper atom cu  
29 Cu- Copper atom anion cu-  
30 Cu+ Copper atom cation cu+  
31 LiH Lithium Hydride lih  
32 LiH- lithium hydride anion lih-  
33 LiH+ lithium hydride cation lih+  
34 NaH sodium hydride nah  
35 NaH- sodium hydride anion nah-  
36 NaH+ sodium hydride cation nah+  
37 KH Potassium hydride kh  
38 KH+ Potassium hydrogen cation kh+  
39 CuH Copper monohydride cuh  
40 Be Beryllium atom be  
41 Be- Beryllium atom anion be-  
42 Be+ Beryllium atom cation be+  
43 Mg Magnesium atom mg  
44 Mg- Magnesium atom anion mg-  
45 Mg+ Magnesium atom cation mg+  
46 Ca Calcium atom ca  
47 Ca- Calcium atom anion ca-  
48 Ca+ Calcium atom cation ca+  
49 Zn Zinc atom zn  
50 Zn- Zinc atom anion zn-  
51 Zn+ Zinc atom cation zn+  
52 BeH beryllium monohydride beh  
53 BeH- berylium monohydride anion beh-  
54 BeH+ beryllium monohydride cation beh+  
55 MgH magnesium monohydride mgh  
56 MgH- magnesium monohydride anion mgh-  
57 MgH+ magnesium monohydride cation mgh+  
58 CaH Calcium monohydride cah  
59 CaH+ Calcium monohydride cation cah+  
60 TiH Titanium monohydride tih  
61 ZnH Zinc monohydride znh  
62 ZnH+ Zinc, protonated znh+  
63 BeH2 beryllium dihydride beh2  
64 BeH2+ Beryllium dihydride cation beh2+  
65 MgH2 magnesium dihydride mgh2  
66 CaH2 Calcium Hydride cah2  
67 ZnH2 Zinc hydride znh2  
68 B Boron atom b  
69 B- Boron atom anion b-  
70 B+ Boron atom cation b+  
71 Al Aluminum atom al  
72 Al- Aluminum atom anion al-  
73 Al+ Aluminum atom cation al+  
74 Sc Scandium atom sc  
75 Sc+ Scandium cation sc+  
76 Ga Gallium atom ga  
77 Ga- Gallium atom anion ga-  
78 Ga+ Gallium atom cation ga+  
79 BH Boron monohydride bh  
80 BH- boron monohydride anion bh-  
81 BH+ boron monohydride cation bh+  
82 AlH aluminum monohydride alh  
83 AlH- aluminum monohydride anion alh-  
84 AlH+ aluminum monohydride cation alh+  
85 ScH Scandium monohydride sch  
86 ScH+ Scandium monohydride cation sch+  
87 GaH Gallium monohydride gah  
88 GaH+ Gallium monohydride cation gah+  
89 BH2 boron dihydride bh2  
90 BH2- boron dihydride anion bh2-  
91 BH2+ Boron dihydride cation bh2+  
92 AlH2 aluminum dihydride alh2  
93 AlH2- aluminum dihydride anion alh2-  
94 AlH2+ aluminum dihydride cation alh2+  
95 BH3 boron trihydride bh3  
96 BH3- boron trihydride anion bh3-  
97 BH3+ boron trihydride cation bh3+  
98 AlH3 aluminum trihydride alh3  
99 AlH3- aluminum trihydride anion alh3-  
100 AlH3+ aluminum trihydride cation alh3+  
101 ScH3 Scandium trihydride sch3  
102 GaH3 Gallium trihydride gah3  
103 BH4 borohydride bh4  
104 BH4- borohydride anion bh4-  
105 AlH4- Aluminum tetrahydride anion alh4-  
106 C Carbon atom c  
107 C- Carbon atom anion c-  
108 C+ Carbon atom cation c+  
109 Si Silicon atom si  
110 Si- Silicon atom anion si-  
111 Si+ Silicon atom cation si+  
112 Ti Titanium atom ti  
113 Ti- Titanium atom anion ti-  
114 Ti+ Titanium atom cation ti+  
115 Ge Germanium atom ge  
116 Ge- Germanium anion ge-  
117 Ge+ Germanium cation ge+  
118 Sn Tin atom sn  
119 Sn+ Tin cation sn+  
120 CH Methylidyne ch  
121 CH- methylidyne anion ch-  
122 CH+ Methylidyne cation ch+  
123 SiH- silicon monohydride anion sih-  
124 SiH+ silicon monohydride cation sih+  
125 GeH germylidene geh  
126 GeH+ Germaniun monohyrdide cation geh+  
127 CH2 Methylene ch2  
128 CH2- methylene anion ch2-  
129 CH2+ methylene cation ch2+  
130 SiH2 silicon dihydride sih2  
131 SiH2- silicon dihydride anion sih2-  
132 SiH2+ silicon dihydride cation sih2+  
133 GeH2 germylene geh2  
134 GeH2- germylene anion geh2-  
135 CH3 Methyl radical ch3  
136 CH3- methyl anion ch3-  
137 CH3+ methyl cation ch3+  
138 SiH3- Silyl anion sih3-  
139 GeH3 Germyl radical geh3  
140 GeH3+ germyl cation geh3+  
141 CD4 methane-d4 cd4  
142 CH2D2 methane-d2 ch2d2  
143 CH3D methane-d ch3d  
144 CH4 Methane ch4  
145 CH4- Methane anion ch4-  
146 CH4+ Methane cation ch4+  
147 CHD3 methane-d3 chd3  
148 SiH2D2 silane-d2 sih2d2  
149 SiH4 Silane sih4  
150 SiH4+ Silane cation sih4+  
151 GeH4 Germane geh4  
152 SnH4 Stannane snh4  
153 SiH5+ Silane, protonated sih5+  
154 N Nitrogen atom n  
155 N- Nitrogen atom anion n-  
156 N+ Nitrogen atom cation n+  
157 P Phosphorus atom p  
158 P- Phosphorus atom anion p-  
159 P+ Phosphorus atom cation p+  
160 V Vanadium atom v  
161 V+ Vanadium atom cation v+  
162 As Arsenic atomic as  
163 As- Arsenic anion as-  
164 As+ Arsenic cation as+  
165 Sb Antimony atom sb  
166 NH Imidogen nh  
167 NH- Imidogen anion nh-  
168 NH+ imidogen cation nh+  
169 PH phosphorus monohydride ph  
170 PH- phosphorus monohydride anion ph-  
171 PH+ phosphorus monohydride cation ph+  
172 AsH Arsenic monohydride ash  
173 AsH+ Arsenic monohydride cation ash+  
174 SbH Antimony monohydride sbh  
175 ND2 Amidogen-d2 nd2  
176 NH2 Amino radical nh2  
177 NH2- amino anion nh2-  
178 NH2+ Amino cation nh2+  
179 PH2 Phosphino radical ph2  
180 PH2- Phosphino anion ph2-  
181 PH2+ Phosphino cation ph2+  
182 AsH2 Arsenic dihydride ash2  
183 AsH2+ Arsenic dihydride cation ash2+  
184 ND3 Ammonia-d3 nd3  
185 NH3 Ammonia nh3  
186 NH3- Ammonia anion nh3-  
187 NH3+ ammonia cation nh3+  
188 PH3+ Phosphine cation ph3+  
189 AsH3 Arsine ash3  
190 AsH3+ Arsine cation ash3+  
191 SbH3 Stibine sbh3  
192 AsH4+ Arsonium ash4+  
193 NH4 Ammonium radical nh4  
194 NH4+ ammonium cation nh4+  
195 PH4 Phosphoranyl radical ph4  
196 PH4+ phosphonium cation ph4+  
197 O Oxygen atom o  
198 O- Oxygen atom anion o-  
199 O+ Oxygen atom cation o+  
200 S Sulfur atom s  
201 S- Sulfur atom anion s-  
202 S+ Sulfur atom cation s+  
203 Cr Chromium atom cr  
204 Se Selenium atom se  
205 Se- Selenium atom anion se-  
206 Se+ Selenium atom cation se+  
207 Te Tellurium atom te  
208 Te+ Tellurium atom cation te+  
209 DO Hydroxyl-d od  
210 OH Hydroxyl radical oh  
211 OH- hydroxide anion oh-  
212 OH+ hydoxyl cation oh+  
213 DS Mercapto-d ds  
214 HS Mercapto radical hs  
215 HS- mercapto anion sh-  
216 HS+ sulfur monohydride cation sh+  
217 CrH Chromium hydride crh  
218 CrH+ Chromium hydride cation crh+  
219 HSe Selenium monohydride hse  
220 HSe- selenium monohydride anion hse-  
221 HSe+ selenium monohydride cation hse+  
222 TeH Telluryl radical teh  
223 D2O Deuterium oxide d2o  
224 H2O Water h2o  
225 H2O- water anion h2o-  
226 H2O+ water cation h2o+  
227 HDO Water-d1 hdo  
228 D2S Hydrogen sulfide-d2 d2s  
229 H2S- Hydrogen sulfide anion h2s-  
230 H2S+ Hydrogen sulfide cation h2s+  
231 H2Se Hydrogen selenide h2se  
232 H2Se+ Hydrogen selenide cation h2se+  
233 H2Te Hydrogen Telluride h2te  
234 H3O+ hydronium cation h3o+  
235 H3S+ Sulfonium cation h3s+  
236 H3Se+ Hydrogen Selenide, protonated h3se+  
237 F Fluorine atom f  
238 F- Fluorine atom anion f-  
239 F+ Fluorine atom cation f+  
240 Cl Chlorine atom cl  
241 Cl- Chlorine atom anion cl-  
242 Cl+ Chlorine atom cation cl+  
243 Mn Manganese atom mn  
244 Br Bromine atom br  
245 Br- Bromine atom anion br-  
246 Br+ Bromine atom cation br+  
247 I Iodine atom iodine  
248 I- Iodine atom anion iodine-  
249 I+ Iodine atom cation iodine+  
250 DF Hydrofluoric acid-d df  
251 HF Hydrogen fluoride hf  
252 HF- hydrogen fluoride anion hf-  
253 HF+ hydrogen fluoride cation hf+  
254 DCl Hydrochloric acid-d dcl  
255 HCl Hydrogen chloride hcl  
256 HCl- hydrogen chloride anion hcl-  
257 HCl+ hydrogen chloride cation hcl+  
258 HBr hydrogen bromide hbr  
259 HBr- hydrogen bromide anion hbr-  
260 HBr+ hydrogen bromide cation hbr+  
261 HI Hydrogen iodide hi  
262 HI+ Hydrogen iodide cation hi+  
263 H2F+ dihydrogen fluoride cation h2f+  
264 H2Cl+ dihydrogen monochloride cation h2cl+  
265 H2Br+ protonated hydrogen bromide h2br+  
266 H2I+ Iodonium h2i+  
267 Ne Neon atom ne  
268 Ne- Neon atom anion ne-  
269 Ne+ Neon atom cation ne+  
270 Ar- Argon atom anion ar-  
271 Ar+ Argon atom cation ar+  
272 Fe Iron atom fe  
273 Kr Krypton atom kr  
274 Kr+ Krypton cation kr+  
275 Xe Xenon atom xe  
276 HeLi+ Helium Lithium cation heli+  
277 NeH neon hydrogen neh  
278 NeH+ neon hydrogen cation neh+  
279 KrH+ Protonated Krypton krh+  
280 XeH+ Xenon, protonated xeh+  
281 H2Ar H2 Ar dimer h2ar  
282 Co Cobalt atom cobalt  
283 Ni Nickel atom ni  
284 Li2 Lithium diatomic li2  
285 Li2- lithium diatomic anion li2-  
286 Li2+ lithium diatomic cation li2+  
287 NaLi- lithium sodium anion lina-  
288 NaLi+ lithium sodium cation lina+  
289 LiK Lithium Potassium lik  
290 Na2- sodium diatomic anion na2-  
291 Na2+ sodium diatomic cation na2+  
292 NaK Sodium Potassium nak  
293 NaK+ Sodium Potassium diatomic cation nak+  
294 K2 Potassium diatomic k2  
295 Cu2 Copper diatomic cu2  
296 LiBe Lithium Beryllium libe  
297 LiMg Lithium magnesium limg  
298 NaBe Sodium Beryllium nabe  
299 NaMg Sodium Magnesium namg  
300 Be2 Beryllium diatomic be2  
301 Be2- Beryllium diatomic anion be2-  
302 Be2+ Beryllium diatomic cation be2+  
303 BeMg Beryllium Magnesium bemg  
304 Mg2 Magnesium diatomic mg2  
305 Mg2- magnesium diatomic anion mg2-  
306 Mg2+ magnesium diatomic cation mg2+  
307 Ca2 Calcium diatomic ca2  
308 LiB Lithium boride lib  
309 LiAl Lithium Aluminum lial  
310 BeB Beryllium monoboride beb  
311 B2- Boron diatomic anion b2-  
312 BAl Boron Aluminum bal  
313 Al2 Aluminum diatomic al2  
314 Al2- aluminum diatomic anion al2-  
315 Al2+ aluminum diatomic cation al2+  
316 BGa Boron Gallium bga  
317 AlGa Aluminum Gallium alga  
318 Ga2 Gallium diatomic ga2  
319 HBBH Diborane(2) hbbh  
320 LiBH4 Lithium borohydride libh4  
321 B2H6 Diborane b2h6  
322 B2H6+ Diborane cation b2h6  
323 Al2H6 dialane al2h6  
324 Ga2H6 digallane ga2h6  
325 LiC Lithium Carbide lic  
326 BeC Beryllium Carbide bec  
327 CaC Calcium monocarbide cac  
328 BC boron monocarbide bc  
329 BC- boron monocarbide anion bc-  
330 BC+ boron monocarbide cation bc+  
331 AlC Aluminum carbide alc  
332 BSi Boron silicide bsi  
333 C2 Carbon diatomic c2  
334 C2- carbon diatomic anion c2-  
335 C2+ carbon diatomic cation c2+  
336 SiC silicon monocarbide sic  
337 SiC- silicon monocarbide anion sic-  
338 SiC+ silicon monocarbide cation sic+  
339 Si2 Silicon diatomic si2  
340 Si2- silcon diatomic anion si2-  
341 Si2+ silcon diatomic cation si2+  
342 GeC Germanium monocarbide gec  
343 SiGe Silicon Germanium sige  
344 Ge2 Germanium diatomic ge2  
345 C2H Ethynyl radical c2h  
346 C2H- Ethynyl anion c2h-  
347 C2H+ Ethynyl cation c2h+  
348 ZnCH2 Zinc methylene znch2  
349 C2H2 Acetylene c2h2  
350 C2H2+ acetylene cation c2h2+  
351 CCH2 vinylidene vinylidene  
352 H2CC- vinylidene anion h2cc-  
353 HCCH- acetylene anion c2h2-  
354 Si2H2 disilyne si2h2  
355 CH3Li methyl lithium ch3li  
356 CuCH3 monomethyl copper cuch3  
357 ZnCH3 Zinc monomethyl znch3  
358 CH2BH methyleneborane ch2bh  
359 C2H3 vinyl c2h3  
360 C2H3- vinyl anion c2h3-  
361 C2H3+ vinyl cation c2h3+  
362 C2H4 Ethylene c2h4  
363 C2H4- Ethylene anion c2h4-  
364 C2H4+ Ethylene cation c2h4+  
365 CH3CH methylmethylene ch3ch  
366 CH2SiH2 silaethylene ch2sih2  
367 Si2H4 Disilene si2h4  
368 CH3BH2 methylborane ch3bh2  
369 C2H5 Ethyl radical c2h5  
370 C2H5- Ethyl anion c2h5-  
371 C2H5+ Ethyl cation c2h5+  
372 C2H6 Ethane c2h6  
373 C2H6+ ethane cation c2h6+  
374 CH3SiH3 methyl silane ch3sih3  
375 GeH3CH3 methyl germane geh3ch3  
376 C2H7+ Ethane, protonated c2h7+  
377 LiN Lithium Nitride lin  
378 LiN+ Lithium Nitride cation lin+  
379 LiP Lithium monophosphide lip  
380 BeN Beryllium mononitride ben  
381 BeN- Beryllium mononitride anion ben-  
382 BeN+ Beryllium mononitride cation ben+  
383 MgN Magnesium Nitride mgn  
384 BN- boron nitride anion bn-  
385 AlN- aluminum mononitride anion aln-  
386 AlN+ aluminum mononitride cation aln+  
387 BP Boron monophosphide bp  
388 AlP Aluminum monophosphide alp  
389 GaN Gallium mononitride gan  
390 GaP Gallium monophosphide gap  
391 GaAs Gallium arsenide gaas  
392 BN boron nitride bn  
393 BN+ boron nitride cation bn+  
394 AlN Aluminum nitride aln  
395 CN Cyano radical cn  
396 CN- cyanide anion cn-  
397 CN+ Cyano cation cn+  
398 CP Carbon monophosphide cp  
399 CP- carbon monophosphide anion cp-  
400 CP+ carbon monophosphide cation cp+  
401 SiN- silicon mononitride anion sin-  
402 SiN+ silicon mononitride cation sin+  
403 SiP Silicon monophosphide sip  
404 SiP- Silicon monophosphide anion sip-  
405 SiP+ Silicon monophosphide cation sip+  
406 TiN Titanium mononitride tin  
407 N2 Nitrogen diatomic n2  
408 N2- nitrogen diatomic anion n2-  
409 N2+ diatomic nitrogen cation n2+  
410 PN- phosphorus nitride anion pn-  
411 PN+ phosphorus nitride cation pn+  
412 P2 Phosphorus diatomic p2  
413 P2- phosphorus diatomic anion p2-  
414 P2+ phosphorus diatomic cation p2+  
415 AsN Arsenic mononitride asn  
416 AsP Arsenic monophosphide asp  
417 SbN Antimony nitride sbn  
418 As2 Arsenic diatomic as2  
419 HNB hydrogen nitrogen boron hnb  
420 HNC hydrogen isocyanide hnc  
421 HCN Hydrogen cyanide hcn  
422 HCN- Hydrogen cyanide anion hcn-  
423 HCN+ hydrogen cyanide cation hcn+  
424 HNC+ hydrogen isocyanide cation hnc+  
425 HCP Phosphaethyne hcp  
426 HCP+ Phosphaethyne cation hcp+  
427 NNH Dinitrogen monohydride nnh  
428 NNH+ Dinitrogen monohydride cation nnh+  
429 HPO Hydrogen phosphorus oxide hpo  
430 HPO+ Hydrogen phosphorus oxide cation hpo+  
431 LiNH2 lithium amide linh2  
432 HBNH Boranimine hbnh  
433 CNH2 Aminomethylidyne radical cnh2  
434 CNH2+ N-protonated hydrogen isocyanide cnh2+  
435 H2CN Dihydrogen cyanide radical h2cn  
436 H2CN+ hydrocyanonium cation h2cn+  
437 HCNH methyleneazane hcnh  
438 HCNH+ N-protonated HCN hcnh+  
439 H2NN Isodiazene h2nn  
440 N2H2 (E)-diazene n2h2  
441 N2H2 (Z)-Diazene n2h2z  
442 N2H2+ trans-diazene cation n2h2+  
443 CH2NH Methanimine ch3n  
444 CH2NH+ Methanimine cation ch2nh+  
445 CHNH2 aminomethylene chnh2  
446 CHNH2+ Aminocarbene cation chnh2+  
447 CH2PH Phosphaethene ch3p  
448 BH2NH2 Boranamine bh2nh2  
449 CH2NH2+ methyleneamine cation ch2nh2+  
450 N2H4 Hydrazine n2h4  
451 N2H4+ hydrazine cation n2h4+  
452 P2H4 Diphosphine p2h4  
453 CH3NH2 methyl amine ch3nh2  
454 CH3NH2+ methyl amine cation ch3nh2+  
455 CH3PH2 Methyl phosphine ch3ph2  
456 SiH3NH2 Silane, amino sih3nh2  
457 N2H5+ protonated hydrazine n2h5+  
458 BH3NH3 borane ammonia bh3nh3  
459 CH3NH3 methyl ammonium radical ch3nh3  
460 CH3NH3+ protonated methylamine ch3nh3+  
461 CH3PH3+ methyl phosphine, protonated ch3ph3+  
462 NH3NH3 Ammonia Dimer nh3nh3  
463 N2H7+ ammonia ammonium dimer n2h7+  
464 LiO lithium oxide lio  
465 LiO- lithium oxide anion lio-  
466 LiO+ lithium oxide cation lio+  
467 LiS Lithium monosulfide lis  
468 LiS+ Lithium sulfide cation lis+  
469 NaO sodium monoxide nao  
470 NaO- sodium oxide anion nao-  
471 NaO+ sodium oxide cation nao+  
472 KO Potassium monoxide ko  
473 KO+ Potassium monoxide cation ko+  
474 NaS Sodium sulfide nas  
475 CuO Copper Monoxide cuo  
476 LiSe Lithium monoselenide lise  
477 BeO beryllium oxide beo  
478 BeO- Beryllium monoxide anion beo-  
479 BeO+ Beryllium monoxide cation beo+  
480 BeS beryllium sulfide bes  
481 MgO magnesium oxide mgo  
482 MgO- magnesium oxide anion mgo-  
483 MgO+ magnesium oxide cation mgo+  
484 CaO Calcium monoxide cao  
485 MgS magnesium sulfide mgs  
486 MgS- magnesium sulfide anion mgs-  
487 MgS+ magnesium sulfide cation mgs+  
488 CaS Calcium sulfide cas  
489 ZnO zinc monoxide zno  
490 ZnS Zinc sulfide zns  
491 BeS- Beryllium monosulfide anion bes-  
492 BeS+ Beryllium monosulfide cation bes+  
493 BO boron monoxide bo  
494 BO- boron monoxide anion bo-  
495 AlO Aluminum monoxide alo  
496 AlO- Aluminum monoxide anion alo-  
497 AlO+ aluminum monoxide cation alo+  
498 BS boron sulfide bs  
499 BS- boron monosulfide anion bs-  
500 BS+ boron monosulfide cation bs+  
501 AlS Aluminum sulfide als  
502 AlS- aluminum monosulfide anion als-  
503 AlS+ aluminum monosulfide cation als+  
504 ScO Scandium monoxide sco  
505 GaO Gallium monoxide gao  
506 GaS Gallium monosulfide gas  
507 BO+ boron monoxide cation bo+  
508 CO Carbon monoxide co  
509 CO- carbon monoxide anion co-  
510 CO+ carbon monoxide cation co+  
511 CS carbon monosulfide cs  
512 CS- carbon monosulfide anion cs-  
513 CS+ carbon monosulfide cation cs+  
514 SiO- silicon monoxide anion sio-  
515 SiO+ silicon monoxide cation sio+  
516 SiS silicon monosulfide sis  
517 SiS- silicon monosulfide anion sis-  
518 SiS+ silicon monosulfide cation sis+  
519 TiO Titanium monoxide tio  
520 CSe Carbon monoselenide cse  
521 CSe- Carbon monoselenide anion cse-  
522 CSe+ Carbon monoselenide cation cse+  
523 GeO Germanium monoxide geo  
524 GeO+ Germanium monoxide cation geo+  
525 GeS Germanium monosulfide ges  
526 SiSe Silicon Monoselenide sise  
527 SiSe+ Silicon Monoselenide cation sise+  
528 GeSe Germanium monoselenide gese  
529 NO Nitric oxide no  
530 NO- nitric oxide anion no-  
531 NO+ nitric oxide cation no+  
532 NS- nitrogen sulfide anion ns-  
533 NS+ nitrogen sulfide cation ns+  
534 PO- phosphorus monoxide anion po-  
535 PO+ phosphorus monoxide cation po+  
536 PS phosphorus sulfide ps  
537 PS- phosphorus monosulfide anion ps-  
538 PS+ phosphorus monosulfide cation ps+  
539 VO Vanadium monoxide vo  
540 AsO Arsenic monoxide aso  
541 NSe Nitrogen monoselenide nse  
542 AsS Arsenic monosulfide ass  
543 PSe Phosphorus monoselenide pse  
544 AsSe Arsenic monoselenide asse  
545 O2- oxygen diatomic anion o2-  
546 O2+ diatomic oxygen cation o2+  
547 SO- sulfur monoxide anion so-  
548 SO+ sulfur monoxide cation so+  
549 S2 Sulfur diatomic s2  
550 S2- sulfur diatomic anion s2-  
551 S2+ sulfur diatomic cation s2+  
552 SeO Selenium monoxide seo  
553 SeO- selenium monoxide anion seo-  
554 SeO+ selenium monoxide cation seo+  
555 SeS Selenium monosulfide ses  
556 SeS- selenium monosulfide anion ses-  
557 SeS+ selenium monosulfide cation ses+  
558 TeO Tellurium monoxide teo  
559 Se2 Selenium diatomic se2  
560 Se2- selenium diatomic anion se2-  
561 Se2+ selenium diatomic cation se2+  
562 Te2 Tellurium diatomic te2  
563 LiOH lithium hydroxide lioh  
564 NaOH sodium hydroxide naoh  
565 KOH Potassium hydroxide koh  
566 BeOH beryllium monohydroxide beoh  
567 MgOH magnesium hydroxide mgoh  
568 CaOH Calcium monohydroxide caoh  
569 HBO Boron hydride oxide hbo  
570 COH Hydroxymethylidyne coh  
571 COH+ Carbon Monoxide, protonated coh+  
572 HCO Formyl radical hco  
573 HCO- formyl anion hco-  
574 HCO+ Formyl cation hco+  
575 HCS Thioformyl radical hcs  
576 HCS- Thioformyl anion hcs-  
577 HCS+ Thioformyl cation hcs+  
578 HNO- Nitrosyl hydride anion hno-  
579 HNO+ Nitrosyl hydride cation hno+  
580 NOH Hydroxyimidogen noh  
581 NOH+ O-protonated nitric oxide noh+  
582 HNS Sulfur imide hns  
583 HNS- Sulfur imide anion hns-  
584 HO2- Hydroperoxy anion ho2-  
585 HO2+ Hydroperoxy cation ho2+  
586 HSO+ Sulfur Monoxide, S-protonated HSO+  
587 SOH Sulfur Hydroxide soh  
588 SOH+ Sulfur Monoxide, protonated soh+  
589 HS2 Thiosulfeno radical hs2  
590 H2CO- formaldehyde anion h2co-  
591 H2CO+ formaldehyde cation h2co+  
592 HOCH hydroxycarbene hoch  
593 H2CS Thioformaldehyde h2cs  
594 H2CS- thioformaldehyde anion h2cs-  
595 H2CS+ thioformaldehyde cation h2cs+  
596 H2CSe Selenoformaldehyde h2cse  
597 H2NO nitroxide h2no  
598 H2O2 Hydrogen peroxide h2o2  
599 H2O2+ Hydrogen peroxide cation h2o2+  
600 H2OO water oxide h2oo  
601 HOSH hydrogen thioperoxide hosh  
602 H2S2+ hydrogen disulfide cation h2s2+  
603 H2Se2 hydrogen diselenide h2se2  
604 CH2OH Hydroxymethyl radical ch2oh  
605 CH2OH+ hydroxymethyl cation ch2oh+  
606 CH3O Methoxy radical ch3o  
607 CH3O- methoxy anion ch3o-  
608 CH3O+ Methoxy cation ch3o+  
609 CH3S thiomethoxy ch3s  
610 H2CSH+ Thioformaldehyde, protonated h2csh+  
611 NH2OH hydroxylamine nh2oh  
612 NH2OH+ Hydroxylamine cation nh2oh+  
613 NH3O Ammonia Oxide nh3o  
614 H2POH Phosphinous acid h2poh  
615 H3PO Phosphine oxide h3po  
616 NH2SH Thiohydroxylamine nh2sh  
617 NH3S sulfidoazane nh3s  
618 H3O2+ hydrogen peroxide, protonated h3o2+  
619 CH3OH Methyl alcohol ch3oh  
620 CH3OH- Methyl alcohol anion ch3oh-  
621 CH3OH+ Methyl alcohol cation ch3oh+  
622 CH3SH Methanethiol ch3sh  
623 CH3SH+ Methanethiol cation ch3sh+  
624 SiH3OH silanol sih3oh  
625 CH3SeH Methane selenol ch3seh  
626 NH2OH2+ protonated hydroxylamine nh2oh2+  
627 NH3OH+ N-protonated hydroxylamine nh3oh+  
628 H2OH2O water dimer h2oh2o  
629 CH3OH2+ Methanol, protonated ch3oh2+  
630 CH3SH2+ protonated methylsulfide ch3sh2+  
631 H2ONH3 Water Ammonia Dimer h2onh3  
632 H5O2+ Dihydroxonium ion h5o2+  
633 LiF lithium fluoride lif  
634 LiCl lithium chloride licl  
635 LiCl- lithium chloride anion licl-  
636 LiCl+ lithium chloride cation licl+  
637 NaF sodium fluoride naf  
638 NaF- sodium fluoride anion naf-  
639 NaF+ sodium fluoride cation naf+  
640 KF Potassium Fluoride kf  
641 NaCl Sodium Chloride nacl  
642 NaCl- sodium chloride anion nacl-  
643 NaCl+ sodium chloride cation nacl+  
644 KCl Potassium Chloride kcl  
645 CuF Copper monofluoride cuf  
646 LiBr Lithium Bromide libr  
647 LiBr- lithium bromide anion libr-  
648 LiBr+ lithium bromide cation libr+  
649 CuCl Copper monochloride cucl  
650 NaBr Sodium Bromide nabr  
651 NaBr- sodium bromide anion nabr-  
652 NaBr+ sodium bromide cation nabr+  
653 KBr Potassium Bromide kbr  
654 LiI Lithium Iodide lii  
655 NaI Sodium Iodide nai  
656 KI Potassium Iodide ki  
657 LiF- lithium fluoride anion lif-  
658 LiF+ lithium fluoride cation lif+  
659 BeF Beryllium monofluoride bef  
660 BeF- Beryllium monofluoride anion bef-  
661 BeF+ Beryllium monofluoride cation bef+  
662 BeCl beryllium monochloride becl  
663 MgF Magnesium monofluoride mgf  
664 MgF- magnesium fluoride anion mgf-  
665 MgF+ magnesium fluoride cation mgf+  
666 CaF Calcium monofluoride caf  
667 MgCl magnesium monochloride mgcl  
668 MgCl- magnesium monochloride anion mgcl-  
669 MgCl+ magnesium monochloride cation mgcl+  
670 CaCl calcium monochloride cacl  
671 TiCl Titanium Monochloride ticl  
672 ZnF Zinc monofluoride znf  
673 ZnF- Zinc monofluoride anion znf-  
674 ZnF+ Zinc monofluoride cation znf+  
675 ZnCl Zinc monochloride zncl  
676 CaBr Calcium monobromide cabr  
677 BeCl- beryllium monochloride anion becl-  
678 BeCl+ beryllium monochloride cation becl+  
679 BF- Boron monofluoride anion bf-  
680 BF+ Boron monofluoride cation bf+  
681 AlF Aluminum monofluoride alf  
682 AlF- Aluminum monofluoride anion alf-  
683 AlF+ Aluminum monofluoride cation alf+  
684 BCl boron monochloride bcl  
685 BCl- boron monochloride anion bcl-  
686 BCl+ boron monochloride cation bcl+  
687 AlCl Aluminum monochloride alcl  
688 AlCl- aluminum monochloride anion alcl-  
689 AlCl+ aluminum monochloride cation alcl+  
690 ScF Scandium monofluoride scf  
691 BBr Boron monobromide bbr  
692 GaF Gallium monofluoride gaf  
693 GaF+ Gallium monofluoride cation gaf+  
694 AlBr Aluminum monobromide albr  
695 GaCl Gallium monochloride gacl  
696 GaCl+ Gallium monochloride cation gacl+  
697 AlI Aluminum monoiodide ali  
698 GaBr Gallium monobromide gabr  
699 CF- carbon monofluoride anion cf-  
700 CF+ carbon monofluoride cation cf+  
701 CCl carbon monochloride ccl  
702 CCl- carbon monochloride anion ccl-  
703 CCl+ carbon monochloride cation ccl+  
704 SiF- silicon monofluoride anion sif-  
705 SiCl Clorosilylidyne sicl  
706 SiCl- silicon monochloride anion sicl-  
707 SiCl+ silicon monochloride cation sicl+  
708 CBr Carbon monobromide cbr  
709 GeF Germanium monofluoride gef  
710 GeF+ Germanium monofluoride cation gef+  
711 GeCl Germanium monochloride gecl  
712 GeCl+ Germanium monochloride cation gecl+  
713 SiBr Silicon monobromide sibr  
714 SiBr+ Silicon monobromide cation sibr+  
715 NF nitrogen fluoride nf  
716 NF- nitrogen monofluorine anion nf-  
717 NF+ nitrogen monofluoirde cation nf+  
718 NCl nitrogen monochloride ncl  
719 NCl- nitrogen monochloride anion ncl-  
720 NCl+ nitrogen monochloride cation ncl+  
721 PF phosphorus monofluoride pf  
722 PF- phosphorus monofluoride anion pf-  
723 PF+ phosphorus monofluoride cation pf+  
724 PCl phosphorus chloride pcl  
725 PCl- phosphorus monochloride anion pcl-  
726 PCl+ phosphorus monochloride cation pcl+  
727 AsF Arsenic monofluoride asf  
728 NBr nitrogen monobromide nbr  
729 AsCl Arsenic monochloride ascl  
730 PBr Phosphorus monobromide pbr  
731 SbF Antimony monofluoride sbf  
732 SbCl Antimony monochloride sbcl  
733 FO Oxygen monofluoride fo  
734 FO- flourine oxide anion fo-  
735 FO+ fluorine monoxide cation fo+  
736 ClO- chlorine monoxide anion clo-  
737 ClO+ chlorine monoxide cation clo+  
738 SF- sulfur monofluoride anion sf-  
739 SCl sulfur monochloride scl  
740 SCl- sulfur monochloride anion scl-  
741 BrO Bromine monoxide bro  
742 BrO- Bromine monoxide anion bro-  
743 BrO+ Bromine monoxide cation bro+  
744 SeF Selenium monofluoride sef  
745 SBr Sulfur monobromide radical sbr  
746 SBr+ Sulfur monobromide cation sbr+  
747 SeCl Selenium monochloride secl  
748 IO Iodine monoxide io  
749 SeBr Selenium monobromide sebr  
750 BrCl Bromine monochloride brcl  
751 F2 Fluorine diatomic f2  
752 F2- flourine diatomic anion f2-  
753 F2+ flourine diatomic cation f2+  
754 ClF Chlorine monofluoride clf  
755 ClF- clorine monofluoride anion clf-  
756 ClF+ clorine monofluoride cation clf+  
757 Cl2- chlorine diatomic anion cl2-  
758 Cl2+ chlorine diatomic cation cl2+  
759 BrF Bromine monofluoride brf  
760 BrF- bromine fluoride anion brf-  
761 BrF+ bromine fluoride cation brf+  
762 BrCl- bromine chloride anion brcl-  
763 BrCl+ bromine chloride cation brcl+  
764 IF Iodine monofluoride if  
765 Br2 Bromine diatomic br2  
766 Br2- bromine diatomic anion br2-  
767 Br2+ bromine diatomic cation br2+  
768 ICl Iodine monochloride icl  
769 IBr Iodine monobromide ibr  
770 I2 Iodine diatomic i2  
771 I2+ Iodine diatomic cation i2+  
772 HCF Fluoromethylene hcf  
773 HCCl Chloromethylene hccl  
774 HSiF fluorosilylene hsif  
775 HSiCl Chlorosilylene hsicl  
776 HSiBr monobromosilylene hsibr  
777 CHBr bromomethylene chbr  
778 DOCl Hypochlorous acid-d docl  
779 HOCl+ hypochlorous acid cation hocl+  
780 HOBr Hypobromous acid hobr  
781 HOBr+ Hypobromous acid cation hobr+  
782 HOI Hypoiodous acid hoi  
783 F2H+ Fluorine, protonated f2h+  
784 FHF Hydrogen difluoride fhf  
785 FHF- Hydrogen difluoride anion fhf-  
786 ClFH+ Chlorine fluoride, F-protonated clfh+  
787 FClH+ Chlorine fluoride, Cl-protonated fclh+  
788 Cl2H+ Chlorine, protonated cl2h+  
789 CH2Br bromomethyl radical ch2br  
790 CH2F fluoromethyl radical ch2f  
791 CH2F+ fluoromethyl cation ch2f+  
792 CH2Cl+ chloromethyl cation ch2cl+  
793 CH2Cl chloromethyl radical ch2cl  
794 NH2F monofluoroamine nh2f  
795 NH2Cl chloramine nh2cl  
796 H2F2 Hydrogen fluoride dimer h2f2  
797 CH3F+ methyl fluoride cation ch3f+  
798 CD3F methylfluoride-d3 cd3f  
799 CH3F Methyl fluoride ch3f  
800 CD3Cl methyl chloride d3 cd3cl  
801 CH3Cl+ Methyl chloride cation ch3cl+  
802 SiH3Cl chlorosilane sih3cl  
803 CH3Br methyl bromide ch3br  
804 GeH3F monofluorogermane geh3f  
805 GeH3Cl monochlorogermane geh3cl  
806 SiH3Br bromosilane sih3br  
807 CH3I methyl iodide ch3i  
808 SiH3I Silyl Iodide sih3i  
809 NH3Cl+ protonated monochloroammonia nh3cl+  
810 CH3ClH+ methyl chloride, protonated ch3clh+  
811 NH4Cl Ammonium chloride nh4cl  
812 LiNe+ Lithium Neon cation line+  
813 Ne2 Neon diatomic ne2  
814 Ne2+ Neon diatomic cation ne2+  
815 Ar2 Argon diatomic ar2  
816 Ar2+ Argon diatomic cation ar2+  
817 Li3 Lithium trimer li3  
818 Li3+ Lithium trimer cation li3+  
819 C3 carbon trimer c3  
820 C3+ carbon trimer cation c3+  
821 C3H3 cyclopropenyl radical cpr  
822 C3H3 Propargyl radical propargyl  
823 C3H3- Propargyl anion c3h3-  
824 C3H3+ cyclopropenyl cation cpr+  
825 C3H3+ Propargyl cation c3h3+  
826 C3H4 cyclopropene cprop  
827 CH2CCH2 allene allene  
828 CH3CCH propyne propyne  
829 C3H5 Allyl radical allyl  
830 C3H5+ Allyl cation allyl+  
831 CH3CHCH 1-propenyl radical ch3chch  
832 Zn(CH3)2 dimethyl zinc dmz  
833 C3H6 Cyclopropane c3h6  
834 CH2CHCH3 Propene propene  
835 C3H7 n-Propyl radical npropyl  
836 C3H7+ cyclopropane, protonated c3h7+  
837 CH3CHCH3 Isopropyl radical isopropyl  
838 CH3CHCH3+ Isopropyl cation prop2yl+  
839 C3H8 Propane propane  
840 SiH2(CH3)2 dimethylsilane dms  
841 LiCN lithium cyanide licn  
842 NaCN Sodium Cyanide nacn  
843 KCN Potassium cyanide kcn  
844 CuCN Copper cyanide cucn  
845 ZnCN Zinc monocyanide zncn  
846 ZnNC Zinc isocyanide znnc  
847 AlCN Aluminum monocyanide alcn  
848 CN2 3H-Diazirin-3-ylidene cn2  
849 CNN Diazocarbene cnn  
850 NCN Cyanoimidogen ncn  
851 N3 azide radical n3  
852 N3- azide anion n3-  
853 N3+ azide cation n3+  
854 HCCN cyanomethylene hccn  
855 HCNN diazomethyl radical hcnn  
856 HN3 hydrogen azide hn3  
857 HN3+ Hydrazoic acid cation hn3+  
858 HNCNH diiminomethane hncnh  
859 CH2N2 diazirine ch2n2  
860 CH2NN diazomethane ch2nn  
861 NH2CN cyanamide cyanamide  
862 HNNNH+ 1,2-Triazadienium n2h3+  
863 NH2NN+ hydrazoic acid, protonated nh2nn+  
864 CH3CN Acetonitrile ch3cn  
865 CH3CN- acetonitrile anion ch3cn-  
866 CH3CN+ Acetonitrile cation ch3cn+  
867 CH3NC methyl isocyanide ch3nc  
868 CHNCH2 2H-Azirine c157164  
869 CHNHCH 1H-Azirine chnhch  
870 H2CCNH Ethenimine ch2cnh  
871 H2CNCH methyleneaminomethylene ch2nch  
872 HCCNH2 Ethynamine hccnh2  
873 HCNCH2+ 2H-Azirine cation hcnch2+  
874 HNCNH2+ diiminomethane, protonated hncnh2+  
875 NCNH3+ Cyanamide, protonated ncnh3+  
876 NH2CNH+ cyanamide, cn protonated nh2cnh+  
877 NH3CN+ cyanamide, amine protonated nh3cn+  
878 CH2CHNH vinylazine ch2chnh  
879 CH3CHN methylmethaniminyl radical ch3chn  
880 NHCHNH2 aminomethanimine cn2h4  
881 C2H5N Aziridine c2h5n  
882 CH2CHNH2 aminoethene aminoethene  
883 CH2NCH3 N-methylmethanimine nmm  
884 CH3CHNH ethanimine ethanimine  
885 NH2BHNH2 diaminoborane nh2bhnh2  
886 C2H5NH+ Protonated Aziridine c2h5nh+  
887 C2H6N+ aziridine, protonated c2h6n+  
888 NH2CH2NH2 diaminomethane nh2ch2nh2  
889 CH3CH2NH2 Ethylamine etam  
890 CH3NHCH3 Dimethylamine ch3nhch3  
891 CH3PHCH3 dimethylphosphine ch3phch3  
892 NH2CH2NH3+ diaminoethane, protonated pdam  
893 (CH3)2NH2+ dimethylammonium cation dmam  
894 CH3CH2NH3+ ethylamine, protonated pea  
895 Li2O dilithium oxide li2o  
896 Li2O+ dilithium oxide cation li2o+  
897 Li2S dilithium sulfide li2s  
898 Na2O disodium monoxide na2o  
899 LiO2 Lithium dioxide lio2  
900 NaO2 Sodium superoxide nao2  
901 CCO Dicarbon monoxide cco  
902 CNO- fulminate cno-  
903 NCO isocyanato radical nco  
904 NCO- cyanate nco-  
905 SCN thiocyanato radical scn  
906 SCN- thiocyanide anion scn-  
907 BO2 Boron dioxide bo2  
908 BO2- Boron dioxide anion bo2-  
909 BO2+ Boron dioxide cation bo2+  
910 N2O- Nitrous oxide anion n2o-  
911 N2O+ Nitrous oxide cation n2o+  
912 NNS Nitrogen sulfide nns  
913 PPO Phosphorus oxide phosphide ppo  
914 CO2 Carbon dioxide co2  
915 CO2- Carbon dioxide anion co2-  
916 CO2+ Carbon dioxide cation co2+  
917 OCS Carbonyl sulfide cos  
918 OCS+ Carbonyl sulfide cation cos+  
919 SiO2 silicon dioxide sio2  
920 CS2 Carbon disulfide cs2  
921 CS2- Carbon disulfide anion cs2-  
922 CS2+ Carbon disulfide cation cs2+  
923 TiO2 Titanium dioxide tio2  
924 SiS2 Silicon disulfide sis2  
925 GeO2 Germanium dioxide geo2  
926 OCSe Carbonyl selenide ocse  
927 SCSe Carbon sulfide selenide scse  
928 GeS2 Germanium disulfide ges2  
929 CSe2 Carbon diselenide cse2  
930 SCTe Carbon sulfide Telluride scte  
931 NO2 Nitrogen dioxide no2  
932 NO2- Nitrogen dioxide anion no2-  
933 NO2+ Nitrogen dioxide cation no2+  
934 NSO sulfinyl amidogen NSO  
935 PO2 Phosphorus dioxide po2  
936 PO2- Phosphorus dioxide anion po2-  
937 PO2+ Phosphorus dioxide cation po2+  
938 SNO Nitrogen oxide sulfide sno  
939 AsO2 Aresenic dioxide aso2  
940 O3 Ozone o3  
941 O3- Ozone anion o3-  
942 O3+ Ozone cation o3+  
943 SO2- Sulfur dioxide anion so2-  
944 SO2+ Sulfur dioxide cation so2+  
945 SSO Disulfur monoxide sso  
946 S3 Sulfur trimer s3  
947 S3- Sulfur trimer anion s3-  
948 S3+ Sulfur trimer cation s3+  
949 SeO2 Selenium dioxide seo2  
950 SeO2+ Selenium dioxide cation seo2+  
951 TeO2 Tellurium Dioxide teo2  
952 HCCO ketenyl radical ketenyl  
953 CS2H+ Carbon disulfide, protonated cs2h+  
954 HCNO fulminic acid hcno  
955 HNCO Isocyanic acid hnco  
956 HOCN cyanic acid hocn  
957 HNCS Isothiocyanic acid hncs  
958 HSCN thiocyanic acid hscn  
959 HCO2- formate anion hco2-  
960 HNNO nitrosoazane hnno  
961 HNNO+ Nitrous oxide, N-protonated hnno+  
962 NNOH+ Nitrous Oxide, O-protonated nnoh+  
963 HCOO formate neutral radical hcoo  
964 HOCO Hydrocarboxyl radical hoco  
965 HOCO+ Hydrocarboxyl cation hoco+  
966 HNO2 Nitrous acid hno2  
967 HNO2+ nitrous acid cation hno2+  
968 O3H+ protonated ozone o3h+  
969 SO2H+ protonated sulfur dioxide so2h+  
970 C2H2O Oxirene oxirene  
971 CH2CO Ketene ch2co  
972 CH2CO+ Ketene cation ch2co+  
973 HCCOH ethynol hccoh  
974 CH2CS Thioketene ch2cs  
975 Be(OH)2 Beryllium hydroxide beo2h2  
976 Mg(OH)2 Magnesium dihydroxide h2mgo2  
977 NH2NO Nitrosamide nh2no  
978 CH2O2 Dioxirane diox  
979 H2COO Dioxymethyl radical h2coo  
980 H2COO+ dioxymethyl cation h2coo+  
981 HCOOH Formic acid ch2o2  
982 H2O3 Hydrogen trioxide h2o3  
983 HSSSH trisulfane hsssh  
984 NaOCH3 Sodium methoxide naoch3  
985 CH2BOH hydroxy(methylene)borane ch2boh  
986 BH3CO Borane carbonyl bh3co  
987 CH3BO Borane, methyloxo- ch3bo  
988 CH2CHO Vinyloxy radical ch2cho  
989 CH2COH+ ketene, protonated ch2coh+  
990 CH3CO Acetyl radical ch3co  
991 CH3CO- Acetyl anion ch3co-  
992 CH3CO+ acetyl cation ch3co+  
993 CH2NOH formaldoxime ch2noh  
994 CH3NO nitrosomethane ch3no  
995 CHONH2 formamide formamide  
996 CNOH3 1,2-oxaziridine cnoh3  
997 HOCHNH hydroxymethylimine hochnh  
998 CHSNH2 thioformamide chsnh2  
999 NHCHSH Methanimidothioic acid nhchsh  
1000 CH2OOH CH2OOH radical ch2ooh  
1001 CH3OO methylperoxy radical ch3oo  
1002 CH3OO- methylperoxy anion ch3oo-  
1003 CH3OO+ methylperoxy cation ch3oo+  
1004 C2H4O Ethylene oxide c2h4o  
1005 C2H4O+ ethylene oxide cation c2h4o+  
1006 CH2CHOH ethenol ch2choh  
1007 CH3CHO Acetaldehyde ch3cho  
1008 CH3CHO+ acetaldehyde cation ch3cho+  
1009 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
1010 C2H4S Thiirane thiirane  
1011 CH2CHSH Ethenethiol ch2chsh  
1012 CH3CHS Thioacetaldehyde ch3chs  
1013 H2CONH2+ protonated formamide h2conh2+  
1014 NH2CHOH+ Formamide, O-protonated nh2choh+  
1015 NH3CHO+ Formamide, N-Protonated nh3cho+  
1016 CH2(OH)2 methanediol ch2o2h2  
1017 CH3OOH Methyl peroxide ch3ooh  
1018 CH3SSH Hydrogen methyl disulfide ch3ssh  
1019 HSCH2SH Methanedithiol ch4s2  
1020 H2OH2CO water formaldehyde dimer h2oh2co  
1021 C2H4OH+ ethylene oxide, protonated c2h4oh+  
1022 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1023 CH3CH2O Ethoxy radical ethoxy  
1024 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1025 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1026 CH3OCH2 methoxymethyl radical ch3och2  
1027 NH2CH2OH aminomethanol nh2ch2oh  
1028 CH3CH2OH Ethanol etoh  
1029 CH3OCH3 Dimethyl ether meome  
1030 CH3CH2SH ethanethiol etsh  
1031 CH3SCH3 Dimethyl sulfide mesme  
1032 CH3SCH3+ dimethyl sulfide cation mesme+  
1033 CH3SeCH3 dimethylselenide dmse  
1034 CH3OHH2O methanol water dimer ch3ohh2o  
1035 H2OCH3OH water methanol dimer h2och3oh  
1036 CuF2 Copper difluoride cuf2  
1037 ZnF2 Zinc difluoride znf2  
1038 CNF iso cyanogen fluoride cnf  
1039 FCN Cyanogen fluoride fcn  
1040 ClCN chlorocyanogen clcn  
1041 BrCN Cyanogen bromide brcn  
1042 ICN Cyanogen iodide icn  
1043 FBO Boron monofluoride monoxide fbo  
1044 BeF2 Beryllium fluoride bef2  
1045 MgF2 Magnesium fluoride mgf2  
1046 BeCl2 Beryllium chloride becl2  
1047 MgCl2 Magnesium dichloride mgcl2  
1048 CaCl2 Calcium Chloride cacl2  
1049 ZnCl2 Zinc dichloride zncl2  
1050 BeBr2 Beryllium bromide bebr2  
1051 CaBr2 Calcium dibromide cabr2  
1052 CaF2 Calcium difluoride caf2  
1053 FCO Carbonyl fluoride fco  
1054 FCO+ Carbonyl fluoride cation fco+  
1055 ClCO carbonyl monochloride clco  
1056 BF2 Boron difluoride radical bf2  
1057 FNO Nitrosyl fluoride fno  
1058 FNS Thionitrosyl fluoride fns  
1059 FSN Thiazyl fluoride fsn  
1060 BrNO Nitrosyl bromide brno  
1061 INO Nitrosyl iodide ino  
1062 CF2- Difluoromethylene anion cf2-  
1063 CF2+ Difluoromethylene cation cf2+  
1064 CFCl chlorofluoromethylene cfcl  
1065 SiF2+ Silicon difluoride cation sif2+  
1066 CCl2 dichloromethylene ccl2  
1067 CCl2- dichloromethylene anion ccl2-  
1068 CCl2+ dichloromethylene cation ccl2+  
1069 SiCl2 Dichlorosilylene sicl2  
1070 GeF2 Germanium difluoride gef2  
1071 GeCl2 Germanium dichloride gecl2  
1072 CBr2 dibromomethylene cbr2  
1073 FOO Dioxygen monofluoride radical foo  
1074 FOO+ Fluorine dioxide cation foo+  
1075 ClOO chloroperoxy radical cloo  
1076 ClOO+ chloroperoxy cation cloo+  
1077 OClO Chlorine dioxide oclo  
1078 OClO- Chlorine dioxide anion oclo-  
1079 OClO+ Chlorine dioxide cation oclo+  
1080 ClSO Sulfur chloride oxide clso  
1081 ClS2 Sulfur chloride cls2  
1082 BrOO Bromine dioxide broo  
1083 OBrO Bromine dioxide radical obro  
1084 NF2 Difluoroamino radical nf2  
1085 NF2+ Difluoroamino cation nf2+  
1086 PF2 Phosphorus difluoride pf2  
1087 PF2+ Phosphorus difluoride cation pf2+  
1088 F2O Difluorine monoxide f2o  
1089 SF2- sulfur difluoride anion sf2-  
1090 SF2+ sulfur difluoride cation sf2+  
1091 Cl2O Dichlorine monoxide cl2o  
1092 SCl2 Sulfur dichloride scl2  
1093 SeF2 Selenium difluoride sef2  
1094 BrOCl Bromine hypochlorite brocl  
1095 SeCl2 Selenium Dichloride secl2  
1096 SBr2 Sulfur dibromide sbr2  
1097 SeBr2 Selenium dibromide sebr2  
1098 BrOBr Bromine oxide brobr  
1099 F3- trifluoride anion f3-  
1100 Cl3- trichloride anion cl3-  
1101 Br3- tribromide anion br3-  
1102 I3- triiodide i3-  
1103 SFCl Sulfur chloride fluoride sfcl  
1104 HCCF+ fluoroacetylene cation hccf+  
1105 HCCCl Chloroacetylene hcccl  
1106 HCCBr bromoacetylene hccbr  
1107 HFCO formyl fluoride hfco  
1108 HFCO+ formyl fluoride cation hfco+  
1109 COHCl Formyl chloride cohcl  
1110 COHBr Formyl bromide cohbr  
1111 BHF2 Difluoroborane bhf2  
1112 BHCl2 Borane, dichloro- bhcl2  
1113 CHCl2 dichloromethyl radical chcl2  
1114 CHF2 difluoromethyl radical chf2  
1115 CHF2+ difluoromethyl cation chf2+  
1116 CHFCl Chlorofluoromethyl radical chfcl  
1117 CHFCl+ Chlorofluoromethyl cation chfcl+  
1118 CHCl2+ dichloromethyl cation chcl2+  
1119 CHBr2 dibromomethyl radical chbr2  
1120 HOClO Chlorous acid hoclo  
1121 NHF2 difluoramine nhf2  
1122 NHCl2 dichloroamine nhcl2  
1123 CH2FCl fluorochloromethane ch2fcl  
1124 CH2Cl2 Methylene chloride ch2cl2  
1125 CH2BrF Methane, bromofluoro- ch2fbr  
1126 CH2BrCl Methane, bromochloro- ch2clbr  
1127 CH2FI fluoroiodomethane ch2fi  
1128 CH2Br2 dibromomethane ch2br2  
1129 CH2ClI chloroiodomethane ch2cli  
1130 CH2BrI bromoiodomethane ch2bri  
1131 CH2I2 Diiodomethane ch2i2  
1132 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1133 CH2CHF Ethene, fluoro- ch2chf  
1134 CH2CHF+ fluoroethene cation ch2chf+  
1135 C2H3Cl Ethene, chloro- ch2chcl  
1136 C2H3Br vinyl bromide c2h3br  
1137 C2H3I Vinyl iodide c2h3i  
1138 CH2FOH fluoromethanol ch2foh  
1139 CH3OCl methyl hypochlorite ch3ocl  
1140 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1141 CHClCH3 1-chloroethyl radical chclch3  
1142 C2H5F fluoroethane c2h5f  
1143 CH3CH2Cl Ethyl chloride c2h5cl  
1144 CH3SiFH2 fluoromethylsilane ch3sifh2  
1145 C2H5Br Ethyl bromide etbr  
1146 C2H5I Ethyl iodide c2h5i  
1147 KrF2 Krypton difluoride krf2  
1148 XeF2 Xenon difluoride xef2  
1149 B4H10 Tetraborane(10) b4h10  
1150 C4 Carbon tetramer c4  
1151 C4+ Carbon tetramer cation c4+  
1152 C4H2 Diacetylene c4h2  
1153 C4H2+ diacetlyene cation c4h2+  
1154 C2H3CCH 1-Buten-3-yne c2h3cch  
1155 C4H4 cyclobutadiene cbd  
1156 C4H4 Tetrahedrane c4h4  
1157 H2CCCCH2 Butatriene h2cccch2  
1158 C4H6 1-Methylcyclopropene c3100047  
1159 C4H6 Cyclobutene c822355  
1160 C4H6 Methylenecyclopropane c6142730  
1161 CH2CCHCH3 1,2-Butadiene butad12  
1162 CH2CHCHCH2 1,3-Butadiene c106990  
1163 CH3CCCH3 2-Butyne c503173  
1164 CHCCH2CH3 1-Butyne c107006  
1165 CH3CHCHCH2 methylallyl radical c4h7  
1166 C4H8 methylcyclopropane mcp  
1167 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1168 CH2CHCH2CH3 1-Butene bute1  
1169 CH3CHCHCH3 2-Butene, (E)- bute2e  
1170 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1171 B(CH3)3 trimethylborane bme3  
1172 Al(CH3)3 trimethyl aluminum tma  
1173 C(CH3)3 Tert-butyl radical tbutyl  
1174 CH2CH(CH3)2 Isobutyl radical isobutyl  
1175 CH3CHCH2CH3 2-Butyl radical butyl2  
1176 CH3CH(CH3)CH3 Isobutane isobutane  
1177 CH3CH2CH2CH3 Butane butane  
1178 SiH(CH3)3 trimethylsilane trimsi  
1179 Li3N trilithium nitride li3n  
1180 C2N2 Cyanogen c2n2  
1181 C2N2+ Cyanogen cation c2n2+  
1182 P4 Phosphorus tetramer p4  
1183 As4 Arsenic tetramer as4  
1184 HCCCN Cyanoacetylene hcccn  
1185 HCCCN+ Cyanoacetylene cation hcccn+  
1186 H2CNCN cyanamide, methylene ch2ncn  
1187 HNCCNH Ethenediimine hnccnh  
1188 C3H3N acrylonitrile ch2chcn  
1189 C3H3N+ acrylonitrile cation ch2chcn+  
1190 CH3N3 methyl azide ch3n3  
1191 NH2CCNH2 Diaminoacetylene daa  
1192 NH2CH2CN Aminoacetonitrile aan  
1193 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1194 C2H5CN ethyl cyanide c2h5cn  
1195 CH5N3 Guanidine guanidine  
1196 C4H6 Bicyclo[1.1.0]butane c157335  
1197 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1198 H2NCHCHNH2 diaminoethylene dae  
1199 CH6N3+ guanidinium ch6n3+  
1200 C3H7N Cyclopropylamine cpram  
1201 CH7N3 triaminomethane tam  
1202 C3H7N Azetidine azet  
1203 C4H8 cyclobutane cbutane  
1204 C2H8N2 Ethylenediamine ethdiam  
1205 CH3NHNHCH3 dimethyl hydrazine dmh  
1206 CH3CH(NH2)CH3 2-Propanamine pram2  
1207 N(CH3)3 Trimethylamine trimeam  
1208 NH2CH2CH2CH3 1-Propanamine pram1  
1209 P(CH3)3 trimethylphosphine tmp  
1210 N(SiH3)3 trisilylamine tsa  
1211 As(CH3)3 trimethyl arsine tmas  
1212 (CH3)3NH+ protonated trimethyl amine ptma  
1213 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1214 Li2O2 dilithium dioxide li2o2  
1215 Na2O2 disodium dioxide na2o2  
1216 K2O2 dipotassium dioxide k2o2  
1217 C3O Tricarbon monoxide c3o  
1218 B2O2 Diboron dioxide b2o2  
1219 ONNO NO dimer onno  
1220 CO3 Carbon trioxide co3  
1221 CO3-- carbonate co3--  
1222 CS3-- Carbonotrithioate cs3--  
1223 NO3 Nitrogen trioxide no3  
1224 NO3- nitrate anion no3-  
1225 NO3+ nitrogen trioxide cation no3+  
1226 SO3 Sulfur trioxide so3  
1227 SO3- Sulfur trioxide anion so3-  
1228 SO3-- Sulfate dianion so3--  
1229 SO3+ Sulfur trioxide cation so3+  
1230 SeO3 selenium trioxide seo3  
1231 S4 Sulfur tetramer s4  
1232 TeO3 Tellurium trioxide teo3  
1233 HCO3- bicarbonate anion hco3-  
1234 HNO3 Nitric acid hno3  
1235 HSO3 Hydroxysulfonyl radical hso3  
1236 NH2NO2 nitramide nh2no2  
1237 C2H2CO cyclopropenone c2h2co  
1238 C3H2O Propadienal c3h2o  
1239 HCCCHO 2-propynal hcccho  
1240 C2H2O2 Ethanedial c2h2o2  
1241 C2H2O2+ Ethanedial cation c2h2o2+  
1242 H2CO3 Carbonic acid h2co3  
1243 H2CS3 thiocarbonic acid h2cs3  
1244 H2NO3+ Nitric Acid, Protonated h2no3+  
1245 H2SO3 Sulfurous acid h2so3  
1246 C2H3NO Nitrosoethylene c2h3no  
1247 CH3NCO methylisocyante ch3nco  
1248 HOCH2CN cyanomethanol hoch2cn  
1249 CH3COO- acetate anion ch3coo-  
1250 CH3NO2 Methane, nitro- ch3no2  
1251 CH3ONO Methyl nitrite ch3ono  
1252 NH2COOH Carbamic acid nh2cooh  
1253 H3BO3 Boric acid h3bo3  
1254 H3AlO3 Aluminum hydroxide h3alo3  
1255 H3CO3+ carbonic acid, protonated h3co3+  
1256 C3H4O 2-Propyn-1-ol c107197  
1257 C3H4O allenol c9000071  
1258 C3H4O Cyclopropanone cpone  
1259 C3H4O Methylketene c6004440  
1260 CH2CHCHO Acrolein c3h4o  
1261 NH2CONH2 Urea urea  
1262 NH2CONH2+ Urea cation urea+  
1263 NH2CSNH2 Thiourea thiourea  
1264 C2H4O2 1,3-dioxetane c2h4o2  
1265 CH3COOH Acetic acid ch3cooh  
1266 CH3OCHO methyl formate ch3ocho  
1267 CHOCH2OH hydroxy acetaldehyde haa  
1268 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1269 NH3COOH+ protonated Carbamic acid nh3cooh+  
1270 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1271 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1272 HCOOHH2O Formic acid water dimer hcoohh2o  
1273 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1274 CH3COCH2 Acetonyl radical ch3coch2  
1275 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1276 CH3C(OH)=NH Ethaninidic acid eia  
1277 CH3CHNOH Acetaldoxime acetaldoxime  
1278 CH3CONH2 Acetamide acetamide  
1279 HCONHCH3 N-methylformamide nmfa  
1280 CH3CSNH2 Ethanethioamide ch3csnh2  
1281 CH5N2O+ urea, N-protonated ch4n2o+  
1282 H2NCOHNH2+ urea, protonated ureah+  
1283 C2H5OO ethylperoxy radical c2h5oo  
1284 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1285 C3H5OH Cyclopropanol cproh  
1286 C3H6O 2-Propen-1-ol c107186  
1287 C3H6O Acetone enol enol  
1288 C3H6O Oxetane oxetane  
1289 C3H6O Propylene oxide prox  
1290 CH3CH2CHO Propanal propanal  
1291 CH3COCH3 Acetone acetone  
1292 CH3COCH3- acetone anion ch3coch3-  
1293 C3H6S Thietane thietane  
1294 C3H6S Thiirane, methyl- methiirane  
1295 CH3CSCH3 Thioacetone ch3csch3  
1296 C2H6O2 1,2-Ethanediol ethdiol  
1297 CH3OOCH3 dimethylperoxide dmp  
1298 CH3SOCH3 Dimethyl sulfoxide dmso  
1299 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1300 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1301 CH3COHCH3+ acetone, protonated acetoneh+  
1302 HOCH2CH2NH2 monoethanolamine mea  
1303 C3H7OH 1-Propanol proh  
1304 CH3CHOHCH3 Isopropyl alcohol isoproh  
1305 CH3OC2H5 Ethane, methoxy- etome  
1306 C3H7SH 1-Propanethiol prsh  
1307 CH3CHSHCH3 2-Propanethiol isoprsh  
1308 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1309 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1310 Li2F2 Lithium fluoride dimer li2f2  
1311 Na2F2 Sodium Fluoride Dimer na2f2  
1312 Na2Cl2 Disodium dichloride na2cl2  
1313 C2F2 difluoroacetylene c2f2  
1314 C2Cl2 dichloroacetylene c2cl2  
1315 C2Cl2+ dichloroacetylene cation c2cl2+  
1316 FNO2 Nitryl fluoride fno2  
1317 FONO Nitrosyl hypofluorite fono  
1318 ClNO2 Nitryl chloride clno2  
1319 ClONO chlorine nitrite clono  
1320 BrONO Bromine nitrite brono  
1321 N2F2 (Z)-Difluorodiazene n2f2_z  
1322 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1323 CF2O+ Carbonic difluoride cation f2co+  
1324 COFCl Carbonic chloride fluoride cofcl  
1325 CCl2O Phosgene cl2co  
1326 Cl2CS Thiophosgene cl2cs  
1327 COBr2 Carbonic dibromide cobr2  
1328 BF3 Borane, trifluoro- bf3  
1329 BF3- Borane, trifluoro- anion bf3-  
1330 BF3+ boron trifluoride cation bf3+  
1331 AlF3 Aluminum trifluoride alf3  
1332 BClF2 Chlorodifluoroborane bclf2  
1333 AlF2Cl Aluminum chloride difluoride alclf2  
1334 ScF3 Scandium trifluoride ScF3  
1335 AlFCl2 Aluminum dichloride fluoride alcl2f  
1336 BCl3 Borane, trichloro- bcl3  
1337 BCl3+ Boron Trichloride cation bcl3+  
1338 GaF3 Gallium trifluoride gaf3  
1339 AlCl3 Aluminum trichloride alcl3  
1340 GaCl3 Gallium trichloride gacl3  
1341 BBr3 Boron tribromide bbr3  
1342 AlBr3 Aluminum Bromide albr3  
1343 ClO3 Chlorine trioxide clo3  
1344 ClO3- chlorate anion clo3-  
1345 BrO3- Bromate anion bro3-  
1346 CF3 Trifluoromethyl radical cf3  
1347 CF3- Trifluoromethyl anion cf3-  
1348 CF3+ Trifluoromethyl cation cf3+  
1349 CF2Cl difluorochloromethyl radical cf2cl  
1350 SiF3 Silicon trifluoride radical sif3  
1351 SiF3+ Silicon trifluoride cation sif3+  
1352 CFCl2 dichlorofluoromethyl radical cfcl2  
1353 CCl3 Trichloromethyl radical ccl3  
1354 CCl3- Trichloromethyl anion ccl3-  
1355 CCl3+ Trichloromethyl cation ccl3+  
1356 SiCl3 trichlorosilyl radical sicl3  
1357 SiCl3+ trichlorosilyl cation sicl3+  
1358 CBr3 tribromomethyl radical cbr3  
1359 FOOF Perfluoroperoxide foof  
1360 F2SO Thionyl Fluoride f2so  
1361 ClOOCl Dichlorine dioxide cloocl  
1362 FSSF Difluorodisulfane fssf  
1363 S2F2 Thio-thionyl fluoride s2f2  
1364 SOCl2 thionyl chloride socl2  
1365 SSCl2 Thiothionyl chloride sscl2  
1366 SeOCl2 selenium oxychloride seocl2  
1367 NF3 Nitrogen trifluoride nf3  
1368 NF3- Nitrogen trifluoride anion nf3-  
1369 NF3+ Nitrogen trifluoride cation nf3+  
1370 PF3 Phosphorus trifluoride pf3  
1371 NCl3 nitrogen trichloride ncl3  
1372 AsF3 Arsenic trifluoride asf3  
1373 PCl3 Phosphorus trichloride pcl3  
1374 SbF3 Antimony Trifluoride sbf3  
1375 AsCl3 Arsenous trichloride ascl3  
1376 SbCl3 Antimony Trichloride sbcl3  
1377 NBr3 Nitrogen Tribromide nbr3  
1378 PBr3 Phosphorus tribromide pbr3  
1379 AsBr3 Arsenic tribromide asbr3  
1380 NI3 Nitrogen triiodide ni3  
1381 PI3 Phosphorus triiodide pi3  
1382 ClSSCl Disulfur dichloride s2cl2  
1383 SF3 Sulfur trifluoride sf3  
1384 ClF3 Chlorine trifluoride clf3  
1385 BrF3 Bromine trifluoride brf3  
1386 IF3 iodone trifluoride if3  
1387 HClO3 Chloric Acid hclo3  
1388 CHF2Cl difluorochloromethane chf2cl  
1389 CHFCl2 fluorodichloromethane chfcl2  
1390 CDCl3 trichloromethane-d cdcl3  
1391 CHCl3 Chloroform chcl3  
1392 CHBrF2 Methane, bromodifluoro- chbrf2  
1393 SiHCl3 Trichlorosilane sihcl3  
1394 CHFClBr fluorochlorobromomethane chfclbr  
1395 CHBrCl2 Methane, bromodichloro- chbrcl2  
1396 CHF2I difluoroiodomethane chf2i  
1397 CHBr2F dibromofluoromethane chbr2f  
1398 CHFClI fluorochloroiodomethane chfcli  
1399 CHCl2I dichloroiodomethane chcl2i  
1400 CHClBr2 Methane, dibromochloro- chclbr2  
1401 CHBr3 bromoform chbr3  
1402 CHI3 Iodoform chi3  
1403 NF3H+ protonated nitrogen trifluoride nf3h+  
1404 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1405 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1406 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1407 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1408 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1409 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1410 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1411 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1412 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1413 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1414 C2H2Br2 1,1-dibromoethene c2h2br2  
1415 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1416 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1417 CH2FCHO Fluoroacetaldehyde ch2fcho  
1418 CH3COF Acetyl fluoride ch3cof  
1419 CH2ClCHO chloroacetaldehyde ch2clcho  
1420 CH3COCl Acetyl Chloride ch3cocl  
1421 C2H4F2 1,2-difluoroethane c2h4f2  
1422 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1423 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1424 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1425 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1426 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1427 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1428 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1429 CH2CFCH3 2-fluoropropene 2fpro  
1430 CH2CHCH2F Allyl Fluoride allylf  
1431 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1432 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1433 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1434 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1435 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1436 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1437 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1438 CH2FCH2CH3 1-Fluoropropane prf1  
1439 CH3CHFCH3 2-Fluoropropane prf2  
1440 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1441 CH3CHClCH3 Propane, 2-chloro- prcl2  
1442 CH3CH2CH2Br n-propyl bromide prbr  
1443 CH3CHBrCH3 i-propyl bromide iprbr  
1444 C3H9O+ trimethyl oxonium cation c3h9o+  
1445 B5H9 pentaborane9 b5h9  
1446 C5H4 pentatetraene ptrene  
1447 C5H5 cyclopentadienyl radical c5h5  
1448 C5H5- cylopentadienyl anion c5h5-  
1449 C5H6 1,3-Cyclopentadiene c542927  
1450 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1451 C5H6 3-Penten-1-yne, (E)- c2004695  
1452 C5H6 3-Penten-1-yne, (Z)- c1574409  
1453 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1454 C5H6 Cyclopropylacetylene c6746947  
1455 C5H6 Propellane propellane  
1456 C5H7 1,3-pentadienyl radical pdyl  
1457 C5H7 cyclopentenyl radical cpyl  
1458 C5H8 1,2-Butadiene, 3-methyl- c598254  
1459 C5H8 1,2-Pentadiene c591957  
1460 C5H8 1,3-Butadiene, 2-methyl- c78795  
1461 C5H8 1,3-Pentadiene, (E)- c2004708  
1462 C5H8 1,3-Pentadiene, (Z)- c1574410  
1463 C5H8 1,4-Pentadiene c591935  
1464 C5H8 1-pentyne a1pentyne  
1465 C5H8 2,3-Pentadiene c591968  
1466 C5H8 Bicyclo[1.1.1]pentane bcp  
1467 C5H8 Cyclobutane, methylene- c1120565  
1468 C5H8 Cyclopentene c142290  
1469 C5H8 Ethenylcyclopropane c693867  
1470 CH3CCCH2CH3 2-Pentyne 2pentyne  
1471 C5H10 1-Butene, 2-methyl- c563462  
1472 C5H10 2-Butene, 2-methyl- c513359  
1473 C5H10 2-Pentene, (E)- c646048  
1474 C5H10 2-Pentene, (Z)- c627203  
1475 C5H10 Cyclopentane c287923  
1476 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1477 CH2CHCH2CH2CH3 1-pentene pentene  
1478 C5H11 2-Methylbut-2-yl radical c4348350  
1479 C5H12 Butane, 2-methyl- buta2  
1480 C5H12 Pentane pentane  
1481 C5H12 Propane, 2,2-dimethyl- neopentane  
1482 Si(CH3)4 tetramethylsilane tms  
1483 N2O3 Dinitrogen trioxide n2o3  
1484 C3H2N2 Malononitrile c3h2n2  
1485 CH2N4 1H-Tetrazole 1htz  
1486 C3H3N2 imidazolyl radical im  
1487 C3H3N2- imidizolyl anion im-  
1488 C2H3N3 1H-1,2,4-Triazole c288880  
1489 C4H4N pyrrolide radical c4h4n  
1490 C4H4N- pyrrolide anion c4h4n-  
1491 C3H4N2 1H-Imidazole 1himidaz  
1492 C3H4N2 1H-Pyrazole 1hpyraz  
1493 C3H4N2 2H-Imidazole imid2h  
1494 C3H4N2 4H-Imidazole imid4h  
1495 C4H5N (E)-2-Butenenitrile c627269  
1496 C4H5N (Z)-2-Butenenitrile c1190767  
1497 C4H5N 2H-pyrrole pyrrole2  
1498 C4H5N 3H-pyrrole pyrrole3  
1499 C4H5N Cyclopropanecarbonitrile c5500210  
1500 C4H5N Pyrrole pyrrole  
1501 CH2CHCH2CN Allylcyanide ch2chch2cn  
1502 C4H6N+ pyrrole, alpha-protonated appyr  
1503 C4H6N+ pyrrole, beta-protonated bppyr  
1504 C4H6N+ pyrrole, protonated ppyr  
1505 C3H6N2 3-Aminopropionitrile c151188  
1506 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1507 CH3CH2CH2CN Butanenitrile c109740  
1508 C5H8 Bicyclo[2.1.0]pentane c185944  
1509 C5H8 Spiropentane c157404  
1510 C4H9N Cyclobutylamine cbam  
1511 C4H9N Pyrrolidine pyrrolidine  
1512 C3H10N2 1,2-Diaminopropane diampr12  
1513 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1514 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1515 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1516 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1517 NH(C2H5)2 diethylamine dea  
1518 NC4H12+ tetramethyl ammonium cation nc4h12+  
1519 C3O2 Carbon suboxide c3o2  
1520 C3O2+ Carbon suboxide cation c3o2+  
1521 B2O3 diboron trioxide b2o3  
1522 MgCO3 Magnesium Carbonate mgco3  
1523 BeCO3 Beryllium Carbonate beco3  
1524 CaCO3 Calcium Carbonate caco3  
1525 ONONO Nitrosyl nitrite onono  
1526 PO4--- phosphate po4---  
1527 SO4-- sulfate so4--  
1528 HOONO2 peroxy nitric acid hoono2  
1529 HSO4- bisulfate anion hso4-  
1530 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1531 C3H2O2 Propiolic acid c3h2o2  
1532 CHOCOOH oxo acetic acid oaa  
1533 CHOOCHO diformyl ether choocho  
1534 H2SO4 Sulfuric acid h2so4  
1535 H2SeO4 Selenic acid h2seo4  
1536 C3H3NO Isoxazole isox  
1537 C3H3NO Oxazole oxazole  
1538 C3H3NS Thiazole thiazole  
1539 CH3C(O)OO acetyl peroxy radical ch3coo2  
1540 CH3NO3 Methyl nitrate ch3no3  
1541 H3PO4 Phosphoric Acid h3po4  
1542 C4H4O Furan furan  
1543 C4H4O+ Furan cation furan+  
1544 CH3COCCH 3-butyn-2-one c1423605  
1545 C4H4S Thiophene furans  
1546 C4H4Se selenophene c4h4se  
1547 C3H4O2 β–Propiolactone beta  
1548 C3H4O2 2-Propenoic acid propenoic2  
1549 C3H4O2 Methyl glyoxal megly  
1550 C3H4O2 propanedial propanedial  
1551 C3H4O2 propenalol propenalol  
1552 HOCHCCHOH allenediol aldiol  
1553 C2H4O3 1,2,3-trioxolane c2h4o3  
1554 C2H4O3 trioxolane124 triox  
1555 HOCH2COOH Hydroxyacetic acid hac  
1556 CH2CHCONH2 Acrylamide c79061  
1557 CH3OCH2CN Methoxyacetonitrile c1738369  
1558 CH5N3S Hydrazinecarbothioamide c79196  
1559 H2NCH2COOH Glycine glycine  
1560 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1561 C4H6O cis-2-butenal butenal2c  
1562 C4H6O Cyclobutanone cbutone  
1563 C4H6O Furan, 2,3-dihydro- furan23h  
1564 C4H6O Furan, 2,5-dihydro- furan25h  
1565 CH2CHOCHCH2 Vinyl ether vinylether  
1566 CHOCHCHCH3 2-Butenal butenal2  
1567 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1568 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1569 CH2CHSCHCH2 Divinyl sulfide divis  
1570 C2H6N2O Urea, methyl- c598505  
1571 C3H6O2 1,3-Dioxolane dioxolane  
1572 CH3CH2COOH Propanoic Acid propanoic  
1573 CH3COOCH3 methyl acetate aame  
1574 HCOOC2H5 Ethyl formate faee  
1575 C2H6O2S Dimethyl sulfone c67710  
1576 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1577 C3H7NO dimethylformamide dmf  
1578 C3H7NO Propanamide propanam  
1579 C2H3OC2H5 Ethene, ethoxy- c109922  
1580 C4H8O Cyclobutanol c2919235  
1581 C4H8O Furan, tetrahydro- thf  
1582 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1583 CH3COCH2CH3 2-Butanone buta2one  
1584 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1585 CHOCH2CH2CH3 Butanal butanal  
1586 C4H8S Thiophene, tetrahydro- tht  
1587 C3H8O2 1,3-Propanediol c504632  
1588 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1589 C3H8O2 Methane, dimethoxy- c109875  
1590 C3H8O2 Propylene glycol c57556  
1591 C3H8S2 1,3-Propanedithiol c109808  
1592 C4H10O 1-Butanol butanol1  
1593 C4H10O 1-Propanol, 2-methyl- c78831  
1594 C4H10O 2-Butanol, (.+/-.)- butanol2  
1595 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1596 C4H10O Ethoxy ethane etoet  
1597 C4H10O Methyl propyl ether meopr  
1598 C4H10O Propane, 2-methoxy- c598538  
1599 C4H10O+ 1-Butanol cation butanol1+  
1600 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1601 C2H5SC2H5 Diethyl sulfide etset  
1602 C4H9SH 1-Butanethiol bush  
1603 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1604 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1605 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1606 FNO3 Fluorine nitrate fno3  
1607 ClONO2 Chlorine nitrate clono2  
1608 BrONO2 Bromine nitrate brono2  
1609 TiCl4 Titanium tetrachloride ticl4  
1610 ClO4- perchlorate anion clo4-  
1611 BF4- tetrafluoroboron anion bf4-  
1612 ClFO3 Perchloryl fluoride clfo3  
1613 SO2F2 Sulfuryl fluoride so2f2  
1614 SO2Cl2 Sulfuryl chloride so2cl2  
1615 F3NO Nitrogen trifluoride oxide f3no  
1616 F3PO Phosphoryl fluoride pf3o  
1617 Cl3PO Phosphoryl chloride pcl3o  
1618 CF4 Carbon tetrafluoride cf4  
1619 CF3Cl Methane, chlorotrifluoro- cf3cl  
1620 SiF4 Silicon tetrafluoride sif4  
1621 CF2Cl2 difluorodichloromethane cf2cl2  
1622 TiF4 Titanium tetrafluoride tif4  
1623 CFCl3 Trichloromonofluoromethane cfcl3  
1624 CF3Br Bromotrifluoromethane cf3br  
1625 GeF4 Germanium tetrafluoride gef4  
1626 CCl4 Carbon tetrachloride ccl4  
1627 CCl4+ Carbon tetrachloride cation ccl4+  
1628 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1629 SiCl4 Silane, tetrachloro- sicl4  
1630 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1631 CF3I trifluoroiodomethane cf3i  
1632 CBrCl3 Methane, bromotrichloro- cbrcl3  
1633 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1634 GeCl4 Germanium Tetrachloride gecl4  
1635 CBr2ClF dibromochlorofluoromethane cbr2clf  
1636 CBr2Cl2 dibromodichloromethane cbr2cl2  
1637 CCl3I trichloroiodomethane ccl3i  
1638 CFBr3 fluorotribromomethane cfbr3  
1639 CFClBrI fluorochlorobromoiodomethane cfclbri  
1640 CBr3Cl tribromochloromethane cbr3cl  
1641 CF2I2 difluorodiiodomethane cf2i2  
1642 CBr4 Carbon tetrabromide cbr4  
1643 CCl2I2 dichlorodiiodomethane ccl2i2  
1644 SiBr4 Silicon tetrabromide sibr4  
1645 CBr3I tribromoiododmethane cbr3i  
1646 GeBr4 Germanium tetrabromide gebr4  
1647 CI4 tetraiodomethane ci4  
1648 SiI4 silicon tetraiodide sii4  
1649 ClOF3 Chlorine trifluoride oxide clof3  
1650 SF4 Sulfur tetrafluoride sf4  
1651 SeF4 Selenium tetrafluoride sef4  
1652 SCl4 Sulfur tetrachloride scl4  
1653 C2HF3 Trifluoroethylene c2hf3  
1654 C2HF3+ Trifluoroethylene cation c2hf3+  
1655 CHClCCl2 Trichloroethylene chclccl2  
1656 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1657 HClO4 perchloric acid hclo4  
1658 HSO3F Fluorosulfonic acid hso3f  
1659 CF3OH trifluoromethanol cf3oh  
1660 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1661 CHClCCHCl 1,3-dichloroallene chclcchcl  
1662 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1663 CHCl2CHO dichloroacetaldehyde chcl2cho  
1664 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1665 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1666 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1667 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1668 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1669 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1670 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1671 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1672 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1673 NH3BCl3 Amminetrichloroboron nh3bcl3  
1674 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1675 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1676 C3H5ClO Oxirane, (chloromethyl)- c106898  
1677 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1678 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1679 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1680 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1681 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1682 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1683 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1684 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1685 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1686 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1687 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1688 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1689 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1690 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1691 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1692 C4H9F 1-fluorobutane butaf1  
1693 CH3CHFCH2CH3 2-fluorobutane butaf2  
1694 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1695 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1696 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1697 XeF4 Xenon tetrafluoride xef4  
1698 C2H2N2O Furazan furazan  
1699 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1700 NH3BF3 Amminetrifluoroboron nh3bf3  
1701 C6H2 hexatriyne c6h2  
1702 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1703 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1704 C6H4 Benzyne benzyne  
1705 C6H5 phenyl phenyl  
1706 C6H5- phenyl anion phenyl-  
1707 C6H6 Prismane prismane  
1708 C6H6 1,2,4,5-Hexatetraene ht1245  
1709 C6H6 2,4-Hexadiyne hexadiyne  
1710 C6H6 3,4-Dimethylenecyclobutene cb34m  
1711 C6H6 Benzene benzene  
1712 C6H6 Benzvalene bv  
1713 C6H6 Dewar Benzene dewar  
1714 C6H6 Hexa-1,5-diene-3-yne hdy153  
1715 C6H6 Trimethylenecycopropane tmcp  
1716 C6H6+ Benzene cation c6h6+  
1717 C6H7+ benzene, protonated c6h7+  
1718 C6H8 (E)-hexa-1,3,5-triene c821078  
1719 C6H8 (E)-hexa-2,3,4-triene c59660650  
1720 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1721 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1722 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1723 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1724 C6H8 3-Methylenecyclopentene c930267  
1725 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1726 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1727 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1728 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1729 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1730 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1731 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1732 C6H10 1,5-Hexadiene c592427  
1733 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1734 C6H10 1-Hexyne hexyne1  
1735 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1736 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1737 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1738 C6H10 2-Hexyne c764352  
1739 C6H10 3-Hexyne hexyne3  
1740 C6H10 cyclohexene cyclohexene  
1741 C6H10 Cyclopentene, 1-methyl- c693890  
1742 C6H10 Cyclopentene, 3-methyl- c1120623  
1743 C6H10 Cyclopentene, 4-methyl- c1759815  
1744 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1745 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1746 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1747 C6H12 (E)-2-Hexene e2hexene  
1748 C6H12 (E)-3-methylpent-2-ene c616126  
1749 C6H12 (E)-hex-3-ene e3hexene  
1750 C6H12 (Z)-3-methylpent-2-ene c922623  
1751 C6H12 (Z)-hex-2-ene z2hexene  
1752 C6H12 (Z)-hex-3-ene z3hexene  
1753 C6H12 2,3-dimethylbut-1-ene c563780  
1754 C6H12 2,3-dimethyl-but-2-ene tmeet  
1755 C6H12 3-methylenepentane c760214  
1756 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1757 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1758 C6H12 Cyclohexane cyclohexane  
1759 C6H12 Cyclopentane, methyl- c96377  
1760 C6H12 Ethylcyclobutane c4806615  
1761 C6H12 hex-1-ene hexene1  
1762 C6H14 Butane, 2,2-dimethyl- buta22  
1763 C6H14 Butane, 2,3-dimethyl- buta23  
1764 C6H14 Hexane hexane  
1765 C6H14 Pentane, 2-methyl- penta2  
1766 C6H14 Pentane, 3-methyl- penta3  
1767 C4N2 2-Butynedinitrile c4n2  
1768 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1769 C4H2N2 Fumaronitrile c4h2n2  
1770 C2H2N4 sym-tetrazine ttz  
1771 C3H3N3 1,3,5-Triazine triazine135  
1772 CH3N5 5-Aminotetrazole c4418615  
1773 C4H4N2 1,3-Diazine diazine13  
1774 C4H4N2 Pyrazine pyrazine  
1775 C4H4N2 Pyridazine pyridazine  
1776 C4H4N2 Succinonitrile c110612  
1777 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1778 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1779 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1780 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1781 C5H5N E-2,4-pentadienenitrile bdcn  
1782 C5H5N Pyridine pyridine  
1783 B3N3H6 borazine borazine  
1784 C6H6 Fulvene fulvene  
1785 C5H6N+ Pyridinium c5h6n  
1786 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1787 C5H7N (E)-2-Pentenenitrile c26294984  
1788 C5H7N (E)-3-Pentenenitrile c16529661  
1789 C5H7N (Z)-2-Pentenenitrile c25899507  
1790 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1791 C5H7N Cyclobutanecarbonitrile c4426113  
1792 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1793 C5H9N Butanenitrile, 2-methyl- c18936179  
1794 C5H9N Pentanenitrile c110598  
1795 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1796 C6H10 Bicyclo[3.1.0]hexane c285585  
1797 C5H11N Cyclopentanamine cypentam  
1798 C5H11N Piperidine piper  
1799 C4H12N2 1,2-Butanediamine c4426486  
1800 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1801 Li2CO3 Lithium Carbonate li2co3  
1802 Na2CO3 Sodium Carbonate na2co3  
1803 C2O4-- oxalate anion c2o4  
1804 MgSO4 Magnesium Sulfate mgso4  
1805 N2O4 Dinitrogen tetroxide n2o4  
1806 C3H2O3 vinylene carbonate vica  
1807 C2H2O4 Oxalic Acid oxalic  
1808 C2H3NO3 Oxamic acid oxamic  
1809 C4H4O2 2(5H)-Furanone furanone  
1810 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1811 C2H4N2O2 Oxalamide oxalamide  
1812 C2H4N2S2 Ethanedithioamide c79403  
1813 C2H4CO3 Ethylene carbonate etco3  
1814 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1815 C3H4S3 1,3-Dithiolane-2-thione c822388  
1816 C2H4O4 Formic acid dimer fadimer  
1817 C4H5NO 3-Methylisoxazole isox3m  
1818 C4H5NO Isoxazole, 5-methyl- c5765446  
1819 C4H5NS 4-Methylthiazole c693958  
1820 C2H5NO3 Nitric acid, ethyl ester c625581  
1821 C5H6O 2H-Pyran pyran2  
1822 C5H6O 2-methylfuran furan2m  
1823 C5H6O 3-Methylfuran furan3m  
1824 C5H6O Pentadienal pdal  
1825 C5H6S Thiophene, 2-methyl- c554143  
1826 C5H6S Thiophene, 3-methyl- c616444  
1827 C4H6O2 γ–Butyrolactone c96480  
1828 C4H6O2 2,3-Butanedione c431038  
1829 C4H6O2 2-Propenoic acid, methyl ester c96333  
1830 C4H6O2 Crotonic Acid crot  
1831 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1832 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1833 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1834 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1835 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1836 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1837 C4H6OS Vinyl sulfoxide c1115157  
1838 CH6N4S Carbonothioic dihydrazide thiacarb  
1839 C2H6N2O2 (E)-Azodioxymethane c37765154  
1840 C2H6N2O2 Dimethylnitroamine c4164287  
1841 C3H6O3 1,3,5-Trioxane trioxane  
1842 C3H6S3 1,3,5-Trithiane c3h6s3  
1843 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1844 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1845 C4H7NO 2-Pyrrolidinone c616455  
1846 C4H7NO Ethoxyacetonitrile etoaccn  
1847 C4H7NO Methacrylamide c79390  
1848 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1849 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1850 C3H7ONO Propyl nitrite prono  
1851 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1852 CH3CH(NH2)COOH Alanine alanine  
1853 CH3NHCH2COOH Sarcosine sarcosine  
1854 NH2CH2CH2COOH β–alanine betaalanine  
1855 NH2COOC2H5 Urethane urethane  
1856 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1857 C5H8O Cyclopentanone c120923  
1858 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1859 C5H8O Methyl cyclopropyl ketone c765435  
1860 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1861 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1862 NH2CONHC2H5 Urea, ethyl- c625525  
1863 C4H8O2 1,3-Dioxane dioxan13  
1864 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1865 C4H8O2 1,4-Dioxane dioxan14  
1866 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1867 C4H8O2 Ethyl acetate c141786  
1868 C4H8OS s-Ethyl thioacetate c625605  
1869 C3H8O3 1,2,3-Propanetriol glycerin  
1870 C3H8O2S (Methylsulfonyl)ethane c594434  
1871 C4H9NO Butanamide c541355  
1872 C4H9NO Propanamide, 2-methyl- c563837  
1873 C5H10O 2-Butanone, 3-methyl- c563804  
1874 C5H10O 2H-Pyran, tetrahydro- c142687  
1875 C5H10O 2-methylbutyraldehyde 2meba  
1876 C5H10O 2-Pentanone mpk  
1877 C5H10O 3-Pentanone dek  
1878 C5H10O Cyclopentanol c96413  
1879 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1880 C5H10O Pentanal pal  
1881 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1882 C5H10S 3-Ethylthio-1-propene c5296628  
1883 C5H10S Cyclopentanethiol c1679078  
1884 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1885 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1886 C4H10O2 1,1-Dimethoxyethane c534156  
1887 C4H10O2 1,3-Butanediol budiol13  
1888 C4H10O2 1,4-Butanediol budiol14  
1889 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1890 C4H10OS Diethyl sulfoxide c70291  
1891 C4H10S2 1,4-Butanedithiol budisl14  
1892 C4H11NO Diethylhydroxylamine c3710847  
1893 C5H12O 1-Butanol, 2-methyl- c137326  
1894 C5H12O 1-Butanol, 3-methyl- c123513  
1895 C5H12O 1-Pentanol pentanol1  
1896 C5H12O 2-Butanol, 3-methyl- c598754  
1897 C5H12O 2-Pentanol peol2  
1898 C5H12O 3-Pentanol pentan3ol  
1899 C5H12O Butane, 1-methoxy- meobu  
1900 C5H12O Propane, 1-ethoxy- proet  
1901 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1902 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1903 C5H12S 1-Butanethiol, 3-methyl- c541311  
1904 C5H12S 1-Pentanethiol c110667  
1905 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1906 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1907 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1908 C5H12S Butane, 1-(methylthio)- c628295  
1909 C5H12S Ethyl propyl sulfide c4110503  
1910 C5H12S Propane, 2-(ethylthio)- c5145993  
1911 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1912 C4F2 difluorobutadiyne c4f2  
1913 ClCOClCO Oxalyl chloride oxcl  
1914 CF3CN Acetonitrile, trifluoro- cf3cn  
1915 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1916 B2F4 Diboron tetrafluoride b2f4  
1917 B2Cl4 Diboron tetrachloride b2cl4  
1918 C2F4 Tetrafluoroethylene c2f4  
1919 C2F4+ Tetrafluoroethylene cation c2f4+  
1920 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1921 CF2CCl2 difluorodichloroethylene cf2ccl2  
1922 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1923 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1924 C2FCl3 fluorotrichloroethene c2fcl3  
1925 C2Cl4 Tetrachloroethylene c2cl4  
1926 C2Br4 tetrabromoethene c2br4  
1927 CF3OF Trifluoromethylhypofluorite cf3of  
1928 SOF4 Sulfur tetrafluoride oxide sof4  
1929 PF5 Phosphorus pentafluoride pf5  
1930 AsF5 Arsenic pentafluoride asf5  
1931 PCl5 Phosphorus pentachloride pcl5  
1932 SF5 Sulfur pentafluoride sf5  
1933 SF5+ pentafluoro sulfur cation sf5+  
1934 SbCl5 Antimony pentachloride sbcl5  
1935 BrF5 bromine pentafluoride brf5  
1936 ClF5 chlorinepentafluoride clf5  
1937 IF5 pentafluoroiodine if5  
1938 CF3CHO trifluoroacetaldehyde cf3cho  
1939 CCl3CHO trichloroacetaldehyde ccl3cho  
1940 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1941 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1942 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1943 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1944 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1945 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1946 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1947 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1948 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1949 CF3COOH trifluoroacetic acid cf3cooh  
1950 C4H3ClO Furan, 2-chloro fur2cl  
1951 C4H3ClO Furan,3-chloro fur3cl  
1952 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1953 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1954 C4H8Cl2 1,4-Dichlorobutane c110565  
1955 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1956 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1957 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1958 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1959 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1960 C5H11Cl Pentane, 1-chloro- pencl1  
1961 C4H8O2 Butanoic acid bua  
1962 C6H5CH2 benzyl radical benzyl  
1963 C7H7 cycloheptatrienyl radical c7h7  
1964 C7H7+ cycloheptatrienyl cation c7h7+  
1965 C6H5CH3 toluene toluene  
1966 C7H8 cycloheptatriene cht  
1967 C7H8 Norbornadiene norbor  
1968 C7H8 Quadricyclane qucy  
1969 C7H12 Norbornane nor  
1970 C7H14 cycloheptane c7h14  
1971 C7H16 2-methylhexane 2mhex  
1972 C7H16 3-methylhexane hex3m  
1973 C7H16 heptane heptane  
1974 CH(CN)3 tricyanomethane mecn3  
1975 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1976 C6H7N 2-Methylpyridine mp  
1977 C6H5NH2 aniline aniline  
1978 C6H13N 2-Methylpiperidine pip2m  
1979 C6H13N cyclohexanamine cham  
1980 C6H15N triethylamine tea  
1981 N2O5 Dinitrogen pentoxide n2o5  
1982 C4H2O3 Maleic Anhydride malan  
1983 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1984 C5H4O2 furfural furfural  
1985 C6H5O phenoxy radical phenoxy  
1986 C5H5NO 2(1H)-Pyridinone c72762006  
1987 C5H5NO 2(3H)-Pyridinone c9000048  
1988 C5H5NO 2(5H)-Pyridinone c9000037  
1989 C5H5NO 2-Pyridinol c109104  
1990 C5H5NO 3(2H)-Pyridinone c9000004  
1991 C5H5NO 3(4H)-Pyridinone c9000026  
1992 C5H5NO 3(6H)-Pyridinone c9000015  
1993 C5H5NO 3-Pyridinol c109002  
1994 C5H5NO 4(1H)-Pryidinone c9000060  
1995 C5H5NO 4(3H)-Pryidinone c9000059  
1996 C5H5NO 4-Pyridinol c626642  
1997 C6H5OH phenol phenol  
1998 C6H6O 2,4-Cyclohexadienone c24599573  
1999 C6H6O 2,5-Cyclohexadienone c5664335  
2000 C6H5SH Benzenethiol phsh  
2001 HO2CCHNH2CH2OH Serine serine  
2002 C5H8O2 Acetylacetone acac  
2003 C4H8O2S Sulfolane sulfolane  
2004 C7H10 Norbornene norbornene  
2005 CH(C2H3)3 trivinyl methane tvm  
2006 C6H10O cyclohexanone chexo  
2007 C6H12O hexanal c6h12o  
2008 C6H12O Oxepane oxepane  
2009 C3H7OC3H7 di-n-propyl ether propr  
2010 F2CCCF2 tetrafluoroallene pfa  
2011 CF3COO- trifluoro acetate anion cf3coo-  
2012 CF3COF trifluoroacetyl fluoride cf3cof  
2013 CF3COCl trifluoroacetyl chloride cf3cocl  
2014 PF6 Hexafluorophosphate neutral pf6  
2015 PF6- Hexafluorophosphate ion pf6-  
2016 SF6 Sulfur Hexafluoride sf6  
2017 SeF6 Selenium hexafluoride sef6  
2018 SF5Cl sulfur chloropentafluoride sf5cl  
2019 CF3CHF2 pentafluoroethane cf3chf2  
2020 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
2021 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2022 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2023 CCl3CHCl2 pentachloroethane ccl3chcl2  
2024 C6H5F Fluorobenzene bzf  
2025 C6H5Cl chlorobenzene bzcl  
2026 C6H5Br bromobenzene bzbr  
2027 C8H6 Calicene calicene  
2028 C6H5CCH phenylacetylene phac  
2029 C8H6 benzocyclobutadiene bcbd  
2030 C8H6 Pentalene pentalene  
2031 C6H5CHCH2 Styrene styrene  
2032 C8H8 cubane cubane  
2033 C8H8 cyclooctatetraene cot  
2034 C6H5CH2CH3 Ethylbenzene etbz  
2035 CH3C6H4CH3 meta-xylene mxylene  
2036 CH3C6H4CH3 paraxylene pxylene  
2037 C8H14 Bicyclo[2.2.2]octane bico222  
2038 C8H16 cyclooctane cyclooct  
2039 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2040 C8H18 Octane c8h18  
2041 C6H5CN phenyl cyanide phcn  
2042 C6H12N2 Triethylenediamine ted  
2043 C4O4-- squarate dianion c4o4--  
2044 S4N4 Tetrasulfur tetranitride s4n4  
2045 S8 Octasulfur s8  
2046 C6H4O2 parabenzoquinone pbq  
2047 C4H4N2O2 Uracil uracil  
2048 C6H5CHO benzaldehyde benzal  
2049 C6H5OCH3 Anisole anisole  
2050 C5H9NO2 Proline proline  
2051 C6H12O2 Methyl pivalate c598981  
2052 C6H12O2 Hexanoic acid hexa  
2053 C4F4 tetrafluorcyclobutadiene c4f4  
2054 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2055 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2056 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2057 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2058 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2059 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2060 C2F6 hexafluoroethane c2f6  
2061 C2Cl6 hexachloroethane c2cl6  
2062 IF7 Iodine heptafluoride if7  
2063 C6H4F2 metadifluorobenzene mdfb  
2064 C6H4F2 orthodifluorobenzene odfb  
2065 C6H4F2 1,4-difluorobenzene pdfb  
2066 C6H4Cl2 1,2-dichlorobenzene dcb12  
2067 C6H4Cl2 1,3-dichlorobenzene dcb13  
2068 C6H4Cl2 1,4-dichlorobenzene dcb14  
2069 C6H5NO nitrosobenzene bzno  
2070 C9H8 Indene indene  
2071 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2072 C9H12 n-propyl benzene prbz  
2073 C9H20 Nonane nonane  
2074 C(CN)4 tetracyanomethane c5n4  
2075 C5H4N4 purine purine  
2076 C8H7N Indole indole  
2077 C3H3N3O3 cyanuric acid cyanuric  
2078 C6H5NO2 Nitrobenzene c6h5no2  
2079 C6H5COOH benzoic acid benzo  
2080 CH3COC6H5 acetophenone acph  
2081 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2082 C3F6 hexafluoropropene c3f6  
2083 C6H3F3 Benzene trifluoride 123 bzf3a  
2084 C8H18O 1-Octanol octanol  
2085 C10H8 Azulene azu  
2086 C10H8 naphthalene naph  
2087 C10H10 bullvalene bullv  
2088 C10H16 adamantane adamantane  
2089 C6N4 Tetracyanoethylene tcne  
2090 C6N4- tetracyanoethylene anion tcne-  
2091 C10H22 Decane decane  
2092 C4F6 perfluorobutadiene c4f6  
2093 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2094 C3F8 perfluoropropane c3f8  
2095 Fe(CO)5 Iron pentacarbonyl ipc  
2096 Fe(C5H5)2 ferrocene fecp2  
2097 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2098 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2099 C12H8 Acenaphthylene acenaph  
2100 C12H8 biphenylene biph  
2101 C12H10 biphenyl biphenyl  
2102 C12H10 Heptalene heptalene  
2103 C6H12O6 Inositol inositol  
2104 C6F6 hexafluorobenzene c6f6  
2105 S2F10 disulphur decafluoride s2f10  
2106 C13H10 Fluorene fluorene  
2107 C14H10 Anthracene anth  
2108 C14H10 Phenanthrene phenanthrene  
2109 C14H14 Bibenzyl bibenzyl  
2110 C12H10N2 azobenzene azobenzene  
2111 C6H5COC6H5 benzophenone benzophenone  
2112 C16H10 Pyrene pyrene  
2113 C18H12 Tetracene tetracene  
2114 C19H16 Triphenylmethane tpm  
2115 C24H12 Coronene coronene  
2116 C60 Buckminsterfullerene c60