National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
IIntroduction
IIExperimental data
IIICalculated data
IVData comparisons
VCost comparisons
VIInput and output files
VIITutorials and Units
VIIILinks to other sites
IXFeedback
XOlder CCCBDB versions
XIIGeometries
XIII Vibrations
XIVReaction data
XVEntropy data
XVIBibliographic data
XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers
XXIOddities

NIST policy on privacy, security, and accessibility.
© 2013 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.

The National Institute of Standards and Technology (NIST) is an agency of the U.S. Department of Commerce.

Please send questions, comments, corrections, additions and suggestions to cccbdb@nist.gov.

return to home page

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

List of which calculations are completed at B3LYP /cc-pCVQZ

Jump to calculations not yet done
count Species Name State Conformation
1 HS Mercapto radical 2ΠC∞v
2 H2O Water 1A1C2v
3 H2S Hydrogen sulfide 1A1C2v
4 HF Hydrogen fluoride 1ΣC∞v
5 CN Cyano radical 2ΣC∞v
6 N2 Nitrogen diatomic 1ΣgD∞h
7 HCN Hydrogen cyanide 1ΣC∞v
8 NNH+ Dinitrogen monohydride cation 1ΣC∞v
9 BO boron monoxide 2ΣC∞v
10 CO Carbon monoxide 1ΣC∞v
11 CO+ carbon monoxide cation 2ΣC∞v
12 NO Nitric oxide 2ΠC∞v
13 O2 Oxygen diatomic 3ΣgD∞h
14 SO Sulfur monoxide 3ΣC∞v
15 H2CO Formaldehyde 1A1C2v
16 F2 Fluorine diatomic 1ΣgD∞h
17 Cl2 Chlorine diatomic 1ΣgD∞h
18 CO2 Carbon dioxide 1ΣgD∞h
19 BH3CO Borane carbonyl 1A1C3v

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 Silylidyne sih  
124 SiH- silicon monohydride anion sih-  
125 SiH+ silicon monohydride cation sih+  
126 GeH germylidene geh  
127 GeH+ Germaniun monohyrdide cation geh+  
128 CH2 Methylene ch2  
129 CH2- methylene anion ch2-  
130 CH2+ methylene cation ch2+  
131 SiH2 silicon dihydride sih2  
132 SiH2- silicon dihydride anion sih2-  
133 SiH2+ silicon dihydride cation sih2+  
134 GeH2 germylene geh2  
135 GeH2- germylene anion geh2-  
136 CH3 Methyl radical ch3  
137 CH3- methyl anion ch3-  
138 CH3+ methyl cation ch3+  
139 SiH3 Silyl radical sih3  
140 SiH3- Silyl anion sih3-  
141 SiH3+ Silyl cation sih3+  
142 GeH3 Germyl radical geh3  
143 GeH3+ germyl cation geh3+  
144 CD4 methane-d4 cd4  
145 CH2D2 methane-d2 ch2d2  
146 CH3D methane-d ch3d  
147 CH4 Methane ch4  
148 CH4- Methane anion ch4-  
149 CH4+ Methane cation ch4+  
150 CHD3 methane-d3 chd3  
151 SiH2D2 silane-d2 sih2d2  
152 SiH4 Silane sih4  
153 SiH4+ Silane cation sih4+  
154 GeH4 Germane geh4  
155 SnH4 Stannane snh4  
156 SiH5+ Silane, protonated sih5+  
157 N Nitrogen atom n  
158 N- Nitrogen atom anion n-  
159 N+ Nitrogen atom cation n+  
160 P Phosphorus atom p  
161 P- Phosphorus atom anion p-  
162 P+ Phosphorus atom cation p+  
163 V Vanadium atom v  
164 V+ Vanadium atom cation v+  
165 As Arsenic atomic as  
166 As- Arsenic anion as-  
167 As+ Arsenic cation as+  
168 Sb Antimony atom sb  
169 NH Imidogen nh  
170 NH- Imidogen anion nh-  
171 NH+ imidogen cation nh+  
172 PH phosphorus monohydride ph  
173 PH- phosphorus monohydride anion ph-  
174 PH+ phosphorus monohydride cation ph+  
175 AsH Arsenic monohydride ash  
176 AsH+ Arsenic monohydride cation ash+  
177 SbH Antimony monohydride sbh  
178 ND2 Amidogen-d2 nd2  
179 NH2 Amino radical nh2  
180 NH2- amino anion nh2-  
181 NH2+ Amino cation nh2+  
182 PH2 Phosphino radical ph2  
183 PH2- Phosphino anion ph2-  
184 PH2+ Phosphino cation ph2+  
185 AsH2 Arsenic dihydride ash2  
186 AsH2+ Arsenic dihydride cation ash2+  
187 ND3 Ammonia-d3 nd3  
188 NH3 Ammonia nh3  
189 NH3- Ammonia anion nh3-  
190 NH3+ ammonia cation nh3+  
191 PH3 Phosphine ph3  
192 PH3+ Phosphine cation ph3+  
193 AsH3 Arsine ash3  
194 AsH3+ Arsine cation ash3+  
195 SbH3 Stibine sbh3  
196 AsH4+ Arsonium ash4+  
197 NH4 Ammonium radical nh4  
198 NH4+ ammonium cation nh4+  
199 PH4 Phosphoranyl radical ph4  
200 PH4+ phosphonium cation ph4+  
201 O Oxygen atom o  
202 O- Oxygen atom anion o-  
203 O+ Oxygen atom cation o+  
204 S Sulfur atom s  
205 S- Sulfur atom anion s-  
206 S+ Sulfur atom cation s+  
207 Cr Chromium atom cr  
208 Se Selenium atom se  
209 Se- Selenium atom anion se-  
210 Se+ Selenium atom cation se+  
211 Te Tellurium atom te  
212 Te+ Tellurium atom cation te+  
213 DO Hydroxyl-d od  
214 OH Hydroxyl radical oh  
215 OH- hydroxide anion oh-  
216 OH+ hydoxyl cation oh+  
217 DS Mercapto-d ds  
218 HS- mercapto anion sh-  
219 HS+ sulfur monohydride cation sh+  
220 CrH Chromium hydride crh  
221 CrH+ Chromium hydride cation crh+  
222 HSe Selenium monohydride hse  
223 HSe- selenium monohydride anion hse-  
224 HSe+ selenium monohydride cation hse+  
225 TeH Telluryl radical teh  
226 D2O Deuterium oxide d2o  
227 H2O- water anion h2o-  
228 H2O+ water cation h2o+  
229 HDO Water-d1 hdo  
230 D2S Hydrogen sulfide-d2 d2s  
231 H2S- Hydrogen sulfide anion h2s-  
232 H2S+ Hydrogen sulfide cation h2s+  
233 H2Se Hydrogen selenide h2se  
234 H2Se+ Hydrogen selenide cation h2se+  
235 H2Te Hydrogen Telluride h2te  
236 H3O+ hydronium cation h3o+  
237 H3S+ Sulfonium cation h3s+  
238 H3Se+ Hydrogen Selenide, protonated h3se+  
239 F Fluorine atom f  
240 F- Fluorine atom anion f-  
241 F+ Fluorine atom cation f+  
242 Cl Chlorine atom cl  
243 Cl- Chlorine atom anion cl-  
244 Cl+ Chlorine atom cation cl+  
245 Mn Manganese atom mn  
246 Br Bromine atom br  
247 Br- Bromine atom anion br-  
248 Br+ Bromine atom cation br+  
249 I Iodine atom iodine  
250 I- Iodine atom anion iodine-  
251 I+ Iodine atom cation iodine+  
252 DF Hydrofluoric acid-d df  
253 HF- hydrogen fluoride anion hf-  
254 HF+ hydrogen fluoride cation hf+  
255 DCl Hydrochloric acid-d dcl  
256 HCl Hydrogen chloride hcl  
257 HCl- hydrogen chloride anion hcl-  
258 HCl+ hydrogen chloride cation hcl+  
259 HBr hydrogen bromide hbr  
260 HBr- hydrogen bromide anion hbr-  
261 HBr+ hydrogen bromide cation hbr+  
262 HI Hydrogen iodide hi  
263 HI+ Hydrogen iodide cation hi+  
264 H2F+ dihydrogen fluoride cation h2f+  
265 H2Cl+ dihydrogen monochloride cation h2cl+  
266 H2Br+ protonated hydrogen bromide h2br+  
267 H2I+ Iodonium h2i+  
268 Ne Neon atom ne  
269 Ne- Neon atom anion ne-  
270 Ne+ Neon atom cation ne+  
271 Ar Argon atom ar  
272 Ar- Argon atom anion ar-  
273 Ar+ Argon atom cation ar+  
274 Fe Iron atom fe  
275 Kr Krypton atom kr  
276 Kr+ Krypton cation kr+  
277 Xe Xenon atom xe  
278 HeLi+ Helium Lithium cation heli+  
279 NeH neon hydrogen neh  
280 NeH+ neon hydrogen cation neh+  
281 ArH+ Argon hydride cation arh+  
282 KrH+ Protonated Krypton krh+  
283 XeH+ Xenon, protonated xeh+  
284 H2Ar H2 Ar dimer h2ar  
285 Co Cobalt atom cobalt  
286 Ni Nickel atom ni  
287 Li2 Lithium diatomic li2  
288 Li2- lithium diatomic anion li2-  
289 Li2+ lithium diatomic cation li2+  
290 NaLi lithium sodium lina  
291 NaLi- lithium sodium anion lina-  
292 NaLi+ lithium sodium cation lina+  
293 LiK Lithium Potassium lik  
294 Na2 Sodium diatomic na2  
295 Na2- sodium diatomic anion na2-  
296 Na2+ sodium diatomic cation na2+  
297 NaK Sodium Potassium nak  
298 NaK+ Sodium Potassium diatomic cation nak+  
299 K2 Potassium diatomic k2  
300 Cu2 Copper diatomic cu2  
301 LiBe Lithium Beryllium libe  
302 LiMg Lithium magnesium limg  
303 NaBe Sodium Beryllium nabe  
304 NaMg Sodium Magnesium namg  
305 Be2 Beryllium diatomic be2  
306 Be2- Beryllium diatomic anion be2-  
307 Be2+ Beryllium diatomic cation be2+  
308 BeMg Beryllium Magnesium bemg  
309 Mg2 Magnesium diatomic mg2  
310 Mg2- magnesium diatomic anion mg2-  
311 Mg2+ magnesium diatomic cation mg2+  
312 Ca2 Calcium diatomic ca2  
313 LiB Lithium boride lib  
314 LiAl Lithium Aluminum lial  
315 NaAl Sodium aluminum naal  
316 BeB Beryllium monoboride beb  
317 B2 Boron diatomic b2  
318 B2- Boron diatomic anion b2-  
319 B2+ Boron diatomic cation b2+  
320 BAl Boron Aluminum bal  
321 Al2 Aluminum diatomic al2  
322 Al2- aluminum diatomic anion al2-  
323 Al2+ aluminum diatomic cation al2+  
324 BGa Boron Gallium bga  
325 AlGa Aluminum Gallium alga  
326 Ga2 Gallium diatomic ga2  
327 HBBH Diborane(2) hbbh  
328 LiBH4 Lithium borohydride libh4  
329 B2H4 Diborane(4) D2d b2h4  
330 HBHHBH Diborane(4) C2V hbhhbh  
331 B2H6 Diborane b2h6  
332 B2H6+ Diborane cation b2h6  
333 Al2H6 dialane al2h6  
334 Ga2H6 digallane ga2h6  
335 LiC Lithium Carbide lic  
336 BeC Beryllium Carbide bec  
337 CaC Calcium monocarbide cac  
338 BC boron monocarbide bc  
339 BC- boron monocarbide anion bc-  
340 BC+ boron monocarbide cation bc+  
341 AlC Aluminum carbide alc  
342 BSi Boron silicide bsi  
343 C2 Carbon diatomic c2  
344 C2- carbon diatomic anion c2-  
345 C2+ carbon diatomic cation c2+  
346 SiC silicon monocarbide sic  
347 SiC- silicon monocarbide anion sic-  
348 SiC+ silicon monocarbide cation sic+  
349 Si2 Silicon diatomic si2  
350 Si2- silcon diatomic anion si2-  
351 Si2+ silcon diatomic cation si2+  
352 GeC Germanium monocarbide gec  
353 SiGe Silicon Germanium sige  
354 Ge2 Germanium diatomic ge2  
355 C2H Ethynyl radical c2h  
356 C2H- Ethynyl anion c2h-  
357 C2H+ Ethynyl cation c2h+  
358 ZnCH2 Zinc methylene znch2  
359 C2H2 Acetylene c2h2  
360 C2H2+ acetylene cation c2h2+  
361 CCH2 vinylidene vinylidene  
362 H2CC- vinylidene anion h2cc-  
363 HCCH- acetylene anion c2h2-  
364 Si2H2 disilyne si2h2  
365 CH3Li methyl lithium ch3li  
366 CuCH3 monomethyl copper cuch3  
367 ZnCH3 Zinc monomethyl znch3  
368 CH2BH methyleneborane ch2bh  
369 C2H3 vinyl c2h3  
370 C2H3- vinyl anion c2h3-  
371 C2H3+ vinyl cation c2h3+  
372 C2H4 Ethylene c2h4  
373 C2H4- Ethylene anion c2h4-  
374 C2H4+ Ethylene cation c2h4+  
375 CH3CH methylmethylene ch3ch  
376 CH2SiH2 silaethylene ch2sih2  
377 Si2H4 Disilene si2h4  
378 CH3BH2 methylborane ch3bh2  
379 C2H5 Ethyl radical c2h5  
380 C2H5- Ethyl anion c2h5-  
381 C2H5+ Ethyl cation c2h5+  
382 C2H6 Ethane c2h6  
383 C2H6+ ethane cation c2h6+  
384 CH3SiH3 methyl silane ch3sih3  
385 Si2H6 disilane si2h6  
386 GeH3CH3 methyl germane geh3ch3  
387 C2H7+ Ethane, protonated c2h7+  
388 LiN Lithium Nitride lin  
389 LiN+ Lithium Nitride cation lin+  
390 LiP Lithium monophosphide lip  
391 BeN Beryllium mononitride ben  
392 BeN- Beryllium mononitride anion ben-  
393 BeN+ Beryllium mononitride cation ben+  
394 MgN Magnesium Nitride mgn  
395 BN- boron nitride anion bn-  
396 AlN- aluminum mononitride anion aln-  
397 AlN+ aluminum mononitride cation aln+  
398 BP Boron monophosphide bp  
399 AlP Aluminum monophosphide alp  
400 GaN Gallium mononitride gan  
401 GaP Gallium monophosphide gap  
402 GaAs Gallium arsenide gaas  
403 BN boron nitride bn  
404 BN+ boron nitride cation bn+  
405 AlN Aluminum nitride aln  
406 CN- cyanide anion cn-  
407 CN+ Cyano cation cn+  
408 CP Carbon monophosphide cp  
409 CP- carbon monophosphide anion cp-  
410 CP+ carbon monophosphide cation cp+  
411 SiN Silicon nitride sin  
412 SiN- silicon mononitride anion sin-  
413 SiN+ silicon mononitride cation sin+  
414 SiP Silicon monophosphide sip  
415 SiP- Silicon monophosphide anion sip-  
416 SiP+ Silicon monophosphide cation sip+  
417 TiN Titanium mononitride tin  
418 N2- nitrogen diatomic anion n2-  
419 N2+ diatomic nitrogen cation n2+  
420 PN Phosphorus mononitride pn  
421 PN- phosphorus nitride anion pn-  
422 PN+ phosphorus nitride cation pn+  
423 P2 Phosphorus diatomic p2  
424 P2- phosphorus diatomic anion p2-  
425 P2+ phosphorus diatomic cation p2+  
426 AsN Arsenic mononitride asn  
427 AsP Arsenic monophosphide asp  
428 SbN Antimony nitride sbn  
429 As2 Arsenic diatomic as2  
430 HNB hydrogen nitrogen boron hnb  
431 HNC hydrogen isocyanide hnc  
432 HCN- Hydrogen cyanide anion hcn-  
433 HCN+ hydrogen cyanide cation hcn+  
434 HNC+ hydrogen isocyanide cation hnc+  
435 HCP Phosphaethyne hcp  
436 HCP+ Phosphaethyne cation hcp+  
437 NNH Dinitrogen monohydride nnh  
438 HPO Hydrogen phosphorus oxide hpo  
439 HPO+ Hydrogen phosphorus oxide cation hpo+  
440 LiNH2 lithium amide linh2  
441 HBNH Boranimine hbnh  
442 CNH2 Aminomethylidyne radical cnh2  
443 CNH2+ N-protonated hydrogen isocyanide cnh2+  
444 H2CN Dihydrogen cyanide radical h2cn  
445 H2CN+ hydrocyanonium cation h2cn+  
446 HCNH methyleneazane hcnh  
447 HCNH+ N-protonated HCN hcnh+  
448 H2NN Isodiazene h2nn  
449 N2H2 (E)-diazene n2h2  
450 N2H2 (Z)-Diazene n2h2z  
451 N2H2+ trans-diazene cation n2h2+  
452 CH2NH Methanimine ch3n  
453 CH2NH+ Methanimine cation ch2nh+  
454 CHNH2 aminomethylene chnh2  
455 CHNH2+ Aminocarbene cation chnh2+  
456 CH2PH Phosphaethene ch3p  
457 BH2NH2 Boranamine bh2nh2  
458 CH2NH2+ methyleneamine cation ch2nh2+  
459 N2H4 Hydrazine n2h4  
460 N2H4+ hydrazine cation n2h4+  
461 P2H4 Diphosphine p2h4  
462 CH3NH2 methyl amine ch3nh2  
463 CH3NH2+ methyl amine cation ch3nh2+  
464 CH3PH2 Methyl phosphine ch3ph2  
465 SiH3NH2 Silane, amino sih3nh2  
466 N2H5+ protonated hydrazine n2h5+  
467 BH3PH3 borane phosphine bh3ph3  
468 BH3NH3 borane ammonia bh3nh3  
469 CH3NH3 methyl ammonium radical ch3nh3  
470 CH3NH3+ protonated methylamine ch3nh3+  
471 CH3PH3+ methyl phosphine, protonated ch3ph3+  
472 NH3NH3 Ammonia Dimer nh3nh3  
473 N2H7+ ammonia ammonium dimer n2h7+  
474 LiO lithium oxide lio  
475 LiO- lithium oxide anion lio-  
476 LiO+ lithium oxide cation lio+  
477 LiS Lithium monosulfide lis  
478 LiS+ Lithium sulfide cation lis+  
479 NaO sodium monoxide nao  
480 NaO- sodium oxide anion nao-  
481 NaO+ sodium oxide cation nao+  
482 KO Potassium monoxide ko  
483 KO+ Potassium monoxide cation ko+  
484 NaS Sodium sulfide nas  
485 CuO Copper Monoxide cuo  
486 LiSe Lithium monoselenide lise  
487 BeO beryllium oxide beo  
488 BeO- Beryllium monoxide anion beo-  
489 BeO+ Beryllium monoxide cation beo+  
490 BeS beryllium sulfide bes  
491 MgO magnesium oxide mgo  
492 MgO- magnesium oxide anion mgo-  
493 MgO+ magnesium oxide cation mgo+  
494 CaO Calcium monoxide cao  
495 MgS magnesium sulfide mgs  
496 MgS- magnesium sulfide anion mgs-  
497 MgS+ magnesium sulfide cation mgs+  
498 CaS Calcium sulfide cas  
499 ZnO zinc monoxide zno  
500 ZnS Zinc sulfide zns  
501 BeS- Beryllium monosulfide anion bes-  
502 BeS+ Beryllium monosulfide cation bes+  
503 BO- boron monoxide anion bo-  
504 AlO Aluminum monoxide alo  
505 AlO- Aluminum monoxide anion alo-  
506 AlO+ aluminum monoxide cation alo+  
507 BS boron sulfide bs  
508 BS- boron monosulfide anion bs-  
509 BS+ boron monosulfide cation bs+  
510 AlS Aluminum sulfide als  
511 AlS- aluminum monosulfide anion als-  
512 AlS+ aluminum monosulfide cation als+  
513 ScO Scandium monoxide sco  
514 GaO Gallium monoxide gao  
515 GaS Gallium monosulfide gas  
516 BO+ boron monoxide cation bo+  
517 CO- carbon monoxide anion co-  
518 CS carbon monosulfide cs  
519 CS- carbon monosulfide anion cs-  
520 CS+ carbon monosulfide cation cs+  
521 SiO Silicon monoxide sio  
522 SiO- silicon monoxide anion sio-  
523 SiO+ silicon monoxide cation sio+  
524 SiS silicon monosulfide sis  
525 SiS- silicon monosulfide anion sis-  
526 SiS+ silicon monosulfide cation sis+  
527 TiO Titanium monoxide tio  
528 CSe Carbon monoselenide cse  
529 CSe- Carbon monoselenide anion cse-  
530 CSe+ Carbon monoselenide cation cse+  
531 GeO Germanium monoxide geo  
532 GeO+ Germanium monoxide cation geo+  
533 GeS Germanium monosulfide ges  
534 SiSe Silicon Monoselenide sise  
535 SiSe+ Silicon Monoselenide cation sise+  
536 GeSe Germanium monoselenide gese  
537 NO- nitric oxide anion no-  
538 NO+ nitric oxide cation no+  
539 NS Mononitrogen monosulfide ns  
540 NS- nitrogen sulfide anion ns-  
541 NS+ nitrogen sulfide cation ns+  
542 PO Phosphorus monoxide po  
543 PO- phosphorus monoxide anion po-  
544 PO+ phosphorus monoxide cation po+  
545 PS phosphorus sulfide ps  
546 PS- phosphorus monosulfide anion ps-  
547 PS+ phosphorus monosulfide cation ps+  
548 VO Vanadium monoxide vo  
549 AsO Arsenic monoxide aso  
550 NSe Nitrogen monoselenide nse  
551 AsS Arsenic monosulfide ass  
552 PSe Phosphorus monoselenide pse  
553 AsSe Arsenic monoselenide asse  
554 O2- oxygen diatomic anion o2-  
555 O2-- dioxygen dianion o2--  
556 O2+ diatomic oxygen cation o2+  
557 SO- sulfur monoxide anion so-  
558 SO+ sulfur monoxide cation so+  
559 S2 Sulfur diatomic s2  
560 S2- sulfur diatomic anion s2-  
561 S2+ sulfur diatomic cation s2+  
562 SeO Selenium monoxide seo  
563 SeO- selenium monoxide anion seo-  
564 SeO+ selenium monoxide cation seo+  
565 SeS Selenium monosulfide ses  
566 SeS- selenium monosulfide anion ses-  
567 SeS+ selenium monosulfide cation ses+  
568 TeO Tellurium monoxide teo  
569 Se2 Selenium diatomic se2  
570 Se2- selenium diatomic anion se2-  
571 Se2+ selenium diatomic cation se2+  
572 Te2 Tellurium diatomic te2  
573 LiOH lithium hydroxide lioh  
574 NaOH sodium hydroxide naoh  
575 KOH Potassium hydroxide koh  
576 BeOH beryllium monohydroxide beoh  
577 MgOH magnesium hydroxide mgoh  
578 CaOH Calcium monohydroxide caoh  
579 HBO Boron hydride oxide hbo  
580 HBS hydrogen boron sulfide hbs  
581 COH Hydroxymethylidyne coh  
582 COH+ Carbon Monoxide, protonated coh+  
583 HCO Formyl radical hco  
584 HCO- formyl anion hco-  
585 HCO+ Formyl cation hco+  
586 HCS Thioformyl radical hcs  
587 HCS- Thioformyl anion hcs-  
588 HCS+ Thioformyl cation hcs+  
589 HNO Nitrosyl hydride hno  
590 HNO- Nitrosyl hydride anion hno-  
591 HNO+ Nitrosyl hydride cation hno+  
592 NOH Hydroxyimidogen noh  
593 NOH+ O-protonated nitric oxide noh+  
594 HNS Sulfur imide hns  
595 HNS- Sulfur imide anion hns-  
596 HO2 Hydroperoxy radical ho2  
597 HO2- Hydroperoxy anion ho2-  
598 HO2+ Hydroperoxy cation ho2+  
599 HSO+ Sulfur Monoxide, S-protonated HSO+  
600 SOH Sulfur Hydroxide soh  
601 SOH+ Sulfur Monoxide, protonated soh+  
602 HS2 Thiosulfeno radical hs2  
603 H2CO- formaldehyde anion h2co-  
604 H2CO+ formaldehyde cation h2co+  
605 HOCH hydroxycarbene hoch  
606 H2CS Thioformaldehyde h2cs  
607 H2CS- thioformaldehyde anion h2cs-  
608 H2CS+ thioformaldehyde cation h2cs+  
609 H2CSe Selenoformaldehyde h2cse  
610 H2NO nitroxide h2no  
611 H2O2 Hydrogen peroxide h2o2  
612 H2O2+ Hydrogen peroxide cation h2o2+  
613 H2OO water oxide h2oo  
614 HOSH hydrogen thioperoxide hosh  
615 H2S2 Disulfane h2s2  
616 H2S2+ hydrogen disulfide cation h2s2+  
617 H2Se2 hydrogen diselenide h2se2  
618 CH2OH Hydroxymethyl radical ch2oh  
619 CH2OH+ hydroxymethyl cation ch2oh+  
620 CH3O Methoxy radical ch3o  
621 CH3O- methoxy anion ch3o-  
622 CH3O+ Methoxy cation ch3o+  
623 CH3S thiomethoxy ch3s  
624 H2CSH+ Thioformaldehyde, protonated h2csh+  
625 NH2OH hydroxylamine nh2oh  
626 NH2OH+ Hydroxylamine cation nh2oh+  
627 NH3O Ammonia Oxide nh3o  
628 H2POH Phosphinous acid h2poh  
629 H3PO Phosphine oxide h3po  
630 NH2SH Thiohydroxylamine nh2sh  
631 NH3S sulfidoazane nh3s  
632 H3O2+ hydrogen peroxide, protonated h3o2+  
633 CH3OH Methyl alcohol ch3oh  
634 CH3OH- Methyl alcohol anion ch3oh-  
635 CH3OH+ Methyl alcohol cation ch3oh+  
636 CH3SH Methanethiol ch3sh  
637 CH3SH+ Methanethiol cation ch3sh+  
638 SiH3OH silanol sih3oh  
639 CH3SeH Methane selenol ch3seh  
640 NH2OH2+ protonated hydroxylamine nh2oh2+  
641 NH3OH+ N-protonated hydroxylamine nh3oh+  
642 H2OH2O water dimer h2oh2o  
643 CH3OH2+ Methanol, protonated ch3oh2+  
644 CH3SH2+ protonated methylsulfide ch3sh2+  
645 H2ONH3 Water Ammonia Dimer h2onh3  
646 H5O2+ Dihydroxonium ion h5o2+  
647 LiF lithium fluoride lif  
648 LiCl lithium chloride licl  
649 LiCl- lithium chloride anion licl-  
650 LiCl+ lithium chloride cation licl+  
651 NaF sodium fluoride naf  
652 NaF- sodium fluoride anion naf-  
653 NaF+ sodium fluoride cation naf+  
654 KF Potassium Fluoride kf  
655 NaCl Sodium Chloride nacl  
656 NaCl- sodium chloride anion nacl-  
657 NaCl+ sodium chloride cation nacl+  
658 KCl Potassium Chloride kcl  
659 CuF Copper monofluoride cuf  
660 LiBr Lithium Bromide libr  
661 LiBr- lithium bromide anion libr-  
662 LiBr+ lithium bromide cation libr+  
663 CuCl Copper monochloride cucl  
664 NaBr Sodium Bromide nabr  
665 NaBr- sodium bromide anion nabr-  
666 NaBr+ sodium bromide cation nabr+  
667 KBr Potassium Bromide kbr  
668 LiI Lithium Iodide lii  
669 NaI Sodium Iodide nai  
670 KI Potassium Iodide ki  
671 LiF- lithium fluoride anion lif-  
672 LiF+ lithium fluoride cation lif+  
673 BeF Beryllium monofluoride bef  
674 BeF- Beryllium monofluoride anion bef-  
675 BeF+ Beryllium monofluoride cation bef+  
676 BeCl beryllium monochloride becl  
677 MgF Magnesium monofluoride mgf  
678 MgF- magnesium fluoride anion mgf-  
679 MgF+ magnesium fluoride cation mgf+  
680 CaF Calcium monofluoride caf  
681 MgCl magnesium monochloride mgcl  
682 MgCl- magnesium monochloride anion mgcl-  
683 MgCl+ magnesium monochloride cation mgcl+  
684 CaCl calcium monochloride cacl  
685 TiCl Titanium Monochloride ticl  
686 ZnF Zinc monofluoride znf  
687 ZnF- Zinc monofluoride anion znf-  
688 ZnF+ Zinc monofluoride cation znf+  
689 ZnCl Zinc monochloride zncl  
690 CaBr Calcium monobromide cabr  
691 BeCl- beryllium monochloride anion becl-  
692 BeCl+ beryllium monochloride cation becl+  
693 BF Boron monofluoride bf  
694 BF- Boron monofluoride anion bf-  
695 BF+ Boron monofluoride cation bf+  
696 AlF Aluminum monofluoride alf  
697 AlF- Aluminum monofluoride anion alf-  
698 AlF+ Aluminum monofluoride cation alf+  
699 BCl boron monochloride bcl  
700 BCl- boron monochloride anion bcl-  
701 BCl+ boron monochloride cation bcl+  
702 AlCl Aluminum monochloride alcl  
703 AlCl- aluminum monochloride anion alcl-  
704 AlCl+ aluminum monochloride cation alcl+  
705 ScF Scandium monofluoride scf  
706 BBr Boron monobromide bbr  
707 GaF Gallium monofluoride gaf  
708 GaF+ Gallium monofluoride cation gaf+  
709 AlBr Aluminum monobromide albr  
710 GaCl Gallium monochloride gacl  
711 GaCl+ Gallium monochloride cation gacl+  
712 AlI Aluminum monoiodide ali  
713 GaBr Gallium monobromide gabr  
714 CF Fluoromethylidyne cf  
715 CF- carbon monofluoride anion cf-  
716 CF+ carbon monofluoride cation cf+  
717 CCl carbon monochloride ccl  
718 CCl- carbon monochloride anion ccl-  
719 CCl+ carbon monochloride cation ccl+  
720 SiF silicon monofluoride sif  
721 SiF- silicon monofluoride anion sif-  
722 SiF+ silicon monofluoride cation sif+  
723 SiCl Clorosilylidyne sicl  
724 SiCl- silicon monochloride anion sicl-  
725 SiCl+ silicon monochloride cation sicl+  
726 CBr Carbon monobromide cbr  
727 GeF Germanium monofluoride gef  
728 GeF+ Germanium monofluoride cation gef+  
729 GeCl Germanium monochloride gecl  
730 GeCl+ Germanium monochloride cation gecl+  
731 SiBr Silicon monobromide sibr  
732 SiBr+ Silicon monobromide cation sibr+  
733 NF nitrogen fluoride nf  
734 NF- nitrogen monofluorine anion nf-  
735 NF+ nitrogen monofluoirde cation nf+  
736 NCl nitrogen monochloride ncl  
737 NCl- nitrogen monochloride anion ncl-  
738 NCl+ nitrogen monochloride cation ncl+  
739 PF phosphorus monofluoride pf  
740 PF- phosphorus monofluoride anion pf-  
741 PF+ phosphorus monofluoride cation pf+  
742 PCl phosphorus chloride pcl  
743 PCl- phosphorus monochloride anion pcl-  
744 PCl+ phosphorus monochloride cation pcl+  
745 AsF Arsenic monofluoride asf  
746 NBr nitrogen monobromide nbr  
747 AsCl Arsenic monochloride ascl  
748 PBr Phosphorus monobromide pbr  
749 SbF Antimony monofluoride sbf  
750 SbCl Antimony monochloride sbcl  
751 FO Oxygen monofluoride fo  
752 FO- flourine oxide anion fo-  
753 FO+ fluorine monoxide cation fo+  
754 ClO Monochlorine monoxide clo  
755 ClO- chlorine monoxide anion clo-  
756 ClO+ chlorine monoxide cation clo+  
757 SF Monosulfur monofluoride sf  
758 SF- sulfur monofluoride anion sf-  
759 SF+ sulfur monofluoride cation sf+  
760 SCl sulfur monochloride scl  
761 SCl- sulfur monochloride anion scl-  
762 SCl+ sulfur monochloride cation scl+  
763 BrO Bromine monoxide bro  
764 BrO- Bromine monoxide anion bro-  
765 BrO+ Bromine monoxide cation bro+  
766 SeF Selenium monofluoride sef  
767 SBr Sulfur monobromide radical sbr  
768 SBr+ Sulfur monobromide cation sbr+  
769 SeCl Selenium monochloride secl  
770 IO Iodine monoxide io  
771 SeBr Selenium monobromide sebr  
772 BrCl Bromine monochloride brcl  
773 F2- flourine diatomic anion f2-  
774 F2+ flourine diatomic cation f2+  
775 ClF Chlorine monofluoride clf  
776 ClF- clorine monofluoride anion clf-  
777 ClF+ clorine monofluoride cation clf+  
778 Cl2- chlorine diatomic anion cl2-  
779 Cl2+ chlorine diatomic cation cl2+  
780 BrF Bromine monofluoride brf  
781 BrF- bromine fluoride anion brf-  
782 BrF+ bromine fluoride cation brf+  
783 BrCl- bromine chloride anion brcl-  
784 BrCl+ bromine chloride cation brcl+  
785 IF Iodine monofluoride if  
786 Br2 Bromine diatomic br2  
787 Br2- bromine diatomic anion br2-  
788 Br2+ bromine diatomic cation br2+  
789 ICl Iodine monochloride icl  
790 IBr Iodine monobromide ibr  
791 I2 Iodine diatomic i2  
792 I2+ Iodine diatomic cation i2+  
793 HCF Fluoromethylene hcf  
794 HCCl Chloromethylene hccl  
795 HSiF fluorosilylene hsif  
796 HSiCl Chlorosilylene hsicl  
797 HSiBr monobromosilylene hsibr  
798 CHBr bromomethylene chbr  
799 HOF Hypofluorous acid hfo  
800 DOCl Hypochlorous acid-d docl  
801 HOCl hypochlorous acid hocl  
802 HOCl+ hypochlorous acid cation hocl+  
803 HOBr Hypobromous acid hobr  
804 HOBr+ Hypobromous acid cation hobr+  
805 HOI Hypoiodous acid hoi  
806 F2H+ Fluorine, protonated f2h+  
807 FHF Hydrogen difluoride fhf  
808 FHF- Hydrogen difluoride anion fhf-  
809 ClFH+ Chlorine fluoride, F-protonated clfh+  
810 FClH+ Chlorine fluoride, Cl-protonated fclh+  
811 Cl2H+ Chlorine, protonated cl2h+  
812 CH2Br bromomethyl radical ch2br  
813 CH2F fluoromethyl radical ch2f  
814 CH2F+ fluoromethyl cation ch2f+  
815 CH2Cl+ chloromethyl cation ch2cl+  
816 CH2Cl chloromethyl radical ch2cl  
817 NH2F monofluoroamine nh2f  
818 NH2Cl chloramine nh2cl  
819 H2F2 Hydrogen fluoride dimer h2f2  
820 CH3F+ methyl fluoride cation ch3f+  
821 CD3F methylfluoride-d3 cd3f  
822 CH3F Methyl fluoride ch3f  
823 CD3Cl methyl chloride d3 cd3cl  
824 CH3Cl Methyl chloride ch3cl  
825 CH3Cl+ Methyl chloride cation ch3cl+  
826 SiH3F monofluorosilane sih3f  
827 SiH3Cl chlorosilane sih3cl  
828 CH3Br methyl bromide ch3br  
829 GeH3F monofluorogermane geh3f  
830 GeH3Cl monochlorogermane geh3cl  
831 SiH3Br bromosilane sih3br  
832 CH3I methyl iodide ch3i  
833 SiH3I Silyl Iodide sih3i  
834 NH3Cl+ protonated monochloroammonia nh3cl+  
835 CH3ClH+ methyl chloride, protonated ch3clh+  
836 NH4Cl Ammonium chloride nh4cl  
837 LiNe+ Lithium Neon cation line+  
838 Ne2 Neon diatomic ne2  
839 Ne2+ Neon diatomic cation ne2+  
840 Ar2 Argon diatomic ar2  
841 Ar2+ Argon diatomic cation ar2+  
842 Li3 Lithium trimer li3  
843 Li3+ Lithium trimer cation li3+  
844 C3 carbon trimer c3  
845 C3+ carbon trimer cation c3+  
846 SiC2 Silicon dicarbide sic2  
847 C3H3 cyclopropenyl radical cpr  
848 C3H3 Propargyl radical propargyl  
849 C3H3- Propargyl anion c3h3-  
850 C3H3+ cyclopropenyl cation cpr+  
851 C3H3+ Propargyl cation c3h3+  
852 C3H4 cyclopropene cprop  
853 CH2CCH2 allene allene  
854 CH3CCH propyne propyne  
855 C3H5 Allyl radical allyl  
856 C3H5+ Allyl cation allyl+  
857 CH3CHCH 1-propenyl radical ch3chch  
858 Zn(CH3)2 dimethyl zinc dmz  
859 C3H6 Cyclopropane c3h6  
860 CH2CHCH3 Propene propene  
861 C3H7 n-Propyl radical npropyl  
862 C3H7+ cyclopropane, protonated c3h7+  
863 CH3CHCH3 Isopropyl radical isopropyl  
864 CH3CHCH3+ Isopropyl cation prop2yl+  
865 C3H8 Propane propane  
866 SiH2(CH3)2 dimethylsilane dms  
867 Si3H8 trisilane si3h8  
868 LiCN lithium cyanide licn  
869 NaCN Sodium Cyanide nacn  
870 KCN Potassium cyanide kcn  
871 CuCN Copper cyanide cucn  
872 ZnCN Zinc monocyanide zncn  
873 ZnNC Zinc isocyanide znnc  
874 AlCN Aluminum monocyanide alcn  
875 AlNC Aluminum isocyanide alnc  
876 CN2 3H-Diazirin-3-ylidene cn2  
877 CNN Diazocarbene cnn  
878 NCN Cyanoimidogen ncn  
879 N3 azide radical n3  
880 N3- azide anion n3-  
881 N3+ azide cation n3+  
882 HCCN cyanomethylene hccn  
883 HCNN diazomethyl radical hcnn  
884 HN3 hydrogen azide hn3  
885 HN3+ Hydrazoic acid cation hn3+  
886 HNCNH diiminomethane hncnh  
887 CH2N2 diazirine ch2n2  
888 CH2NN diazomethane ch2nn  
889 NH2CN cyanamide cyanamide  
890 HNNNH+ 1,2-Triazadienium n2h3+  
891 NH2NN+ hydrazoic acid, protonated nh2nn+  
892 CH3CN Acetonitrile ch3cn  
893 CH3CN- acetonitrile anion ch3cn-  
894 CH3CN+ Acetonitrile cation ch3cn+  
895 CH3NC methyl isocyanide ch3nc  
896 CHNCH2 2H-Azirine c157164  
897 CHNHCH 1H-Azirine chnhch  
898 H2CCNH Ethenimine ch2cnh  
899 H2CNCH methyleneaminomethylene ch2nch  
900 HCCNH2 Ethynamine hccnh2  
901 HCNCH2+ 2H-Azirine cation hcnch2+  
902 HNCNH2+ diiminomethane, protonated hncnh2+  
903 NCNH3+ Cyanamide, protonated ncnh3+  
904 NH2CNH+ cyanamide, cn protonated nh2cnh+  
905 NH3CN+ cyanamide, amine protonated nh3cn+  
906 CH2CHNH vinylazine ch2chnh  
907 CH3CHN methylmethaniminyl radical ch3chn  
908 NHCHNH2 aminomethanimine cn2h4  
909 C2H5N Aziridine c2h5n  
910 CH2CHNH2 aminoethene aminoethene  
911 CH2NCH3 N-methylmethanimine nmm  
912 CH3CHNH ethanimine ethanimine  
913 NH2BHNH2 diaminoborane nh2bhnh2  
914 C2H5NH+ Protonated Aziridine c2h5nh+  
915 C2H6N+ aziridine, protonated c2h6n+  
916 NH2CH2NH2 diaminomethane nh2ch2nh2  
917 CH3CH2NH2 Ethylamine etam  
918 CH3NHCH3 Dimethylamine ch3nhch3  
919 CH3PHCH3 dimethylphosphine ch3phch3  
920 NH2CH2NH3+ diaminoethane, protonated pdam  
921 (CH3)2NH2+ dimethylammonium cation dmam  
922 CH3CH2NH3+ ethylamine, protonated pea  
923 Li2O dilithium oxide li2o  
924 Li2O+ dilithium oxide cation li2o+  
925 Li2S dilithium sulfide li2s  
926 Na2O disodium monoxide na2o  
927 Na2S Sodium sulfide na2s  
928 LiO2 Lithium dioxide lio2  
929 NaO2 Sodium superoxide nao2  
930 CCO Dicarbon monoxide cco  
931 CNO- fulminate cno-  
932 NCO isocyanato radical nco  
933 NCO- cyanate nco-  
934 SCN thiocyanato radical scn  
935 SCN- thiocyanide anion scn-  
936 BO2 Boron dioxide bo2  
937 BO2- Boron dioxide anion bo2-  
938 BO2+ Boron dioxide cation bo2+  
939 N2O Nitrous oxide n2o  
940 N2O- Nitrous oxide anion n2o-  
941 N2O+ Nitrous oxide cation n2o+  
942 NNS Nitrogen sulfide nns  
943 PPO Phosphorus oxide phosphide ppo  
944 CO2- Carbon dioxide anion co2-  
945 CO2+ Carbon dioxide cation co2+  
946 OCS Carbonyl sulfide cos  
947 OCS+ Carbonyl sulfide cation cos+  
948 SiO2 silicon dioxide sio2  
949 CS2 Carbon disulfide cs2  
950 CS2- Carbon disulfide anion cs2-  
951 CS2+ Carbon disulfide cation cs2+  
952 TiO2 Titanium dioxide tio2  
953 SiS2 Silicon disulfide sis2  
954 GeO2 Germanium dioxide geo2  
955 OCSe Carbonyl selenide ocse  
956 SCSe Carbon sulfide selenide scse  
957 GeS2 Germanium disulfide ges2  
958 CSe2 Carbon diselenide cse2  
959 SCTe Carbon sulfide Telluride scte  
960 NO2 Nitrogen dioxide no2  
961 NO2- Nitrogen dioxide anion no2-  
962 NO2+ Nitrogen dioxide cation no2+  
963 NSO sulfinyl amidogen NSO  
964 PO2 Phosphorus dioxide po2  
965 PO2- Phosphorus dioxide anion po2-  
966 PO2+ Phosphorus dioxide cation po2+  
967 SNO Nitrogen oxide sulfide sno  
968 AsO2 Aresenic dioxide aso2  
969 O3 Ozone o3  
970 O3- Ozone anion o3-  
971 O3+ Ozone cation o3+  
972 SO2 Sulfur dioxide so2  
973 SO2- Sulfur dioxide anion so2-  
974 SO2+ Sulfur dioxide cation so2+  
975 SSO Disulfur monoxide sso  
976 S3 Sulfur trimer s3  
977 S3- Sulfur trimer anion s3-  
978 S3+ Sulfur trimer cation s3+  
979 SeO2 Selenium dioxide seo2  
980 SeO2+ Selenium dioxide cation seo2+  
981 TeO2 Tellurium Dioxide teo2  
982 HCCO ketenyl radical ketenyl  
983 CS2H+ Carbon disulfide, protonated cs2h+  
984 HCNO fulminic acid hcno  
985 HNCO Isocyanic acid hnco  
986 HOCN cyanic acid hocn  
987 HNCS Isothiocyanic acid hncs  
988 HSCN thiocyanic acid hscn  
989 HCO2- formate anion hco2-  
990 HNNO nitrosoazane hnno  
991 HNNO+ Nitrous oxide, N-protonated hnno+  
992 NNOH+ Nitrous Oxide, O-protonated nnoh+  
993 HCOO formate neutral radical hcoo  
994 HOCO Hydrocarboxyl radical hoco  
995 HOCO+ Hydrocarboxyl cation hoco+  
996 HNO2 Nitrous acid hno2  
997 HNO2+ nitrous acid cation hno2+  
998 O3H+ protonated ozone o3h+  
999 SO2H+ protonated sulfur dioxide so2h+  
1000 C2H2O Oxirene oxirene  
1001 CH2CO Ketene ch2co  
1002 CH2CO+ Ketene cation ch2co+  
1003 HCCOH ethynol hccoh  
1004 CH2CS Thioketene ch2cs  
1005 Be(OH)2 Beryllium hydroxide beo2h2  
1006 Mg(OH)2 Magnesium dihydroxide h2mgo2  
1007 NH2NO Nitrosamide nh2no  
1008 CH2O2 Dioxirane diox  
1009 H2COO Dioxymethyl radical h2coo  
1010 H2COO+ dioxymethyl cation h2coo+  
1011 HCOOH Formic acid ch2o2  
1012 H2O3 Hydrogen trioxide h2o3  
1013 HSSSH trisulfane hsssh  
1014 NaOCH3 Sodium methoxide naoch3  
1015 CH2BOH hydroxy(methylene)borane ch2boh  
1016 CH3BO Borane, methyloxo- ch3bo  
1017 CH2CHO Vinyloxy radical ch2cho  
1018 CH2COH+ ketene, protonated ch2coh+  
1019 CH3CO Acetyl radical ch3co  
1020 CH3CO- Acetyl anion ch3co-  
1021 CH3CO+ acetyl cation ch3co+  
1022 CH2NOH formaldoxime ch2noh  
1023 CH3NO nitrosomethane ch3no  
1024 CHONH2 formamide formamide  
1025 CNOH3 1,2-oxaziridine cnoh3  
1026 HOCHNH hydroxymethylimine hochnh  
1027 CHSNH2 thioformamide chsnh2  
1028 NHCHSH Methanimidothioic acid nhchsh  
1029 CH2OOH CH2OOH radical ch2ooh  
1030 CH3OO methylperoxy radical ch3oo  
1031 CH3OO- methylperoxy anion ch3oo-  
1032 CH3OO+ methylperoxy cation ch3oo+  
1033 C2H4O Ethylene oxide c2h4o  
1034 C2H4O+ ethylene oxide cation c2h4o+  
1035 CH2CHOH ethenol ch2choh  
1036 CH3CHO Acetaldehyde ch3cho  
1037 CH3CHO+ acetaldehyde cation ch3cho+  
1038 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
1039 C2H4S Thiirane thiirane  
1040 CH2CHSH Ethenethiol ch2chsh  
1041 CH3CHS Thioacetaldehyde ch3chs  
1042 H2CONH2+ protonated formamide h2conh2+  
1043 NH2CHOH+ Formamide, O-protonated nh2choh+  
1044 NH3CHO+ Formamide, N-Protonated nh3cho+  
1045 CH2(OH)2 methanediol ch2o2h2  
1046 CH3OOH Methyl peroxide ch3ooh  
1047 CH3SSH Hydrogen methyl disulfide ch3ssh  
1048 HSCH2SH Methanedithiol ch4s2  
1049 H2OH2CO water formaldehyde dimer h2oh2co  
1050 C2H4OH+ ethylene oxide, protonated c2h4oh+  
1051 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1052 CH3CH2O Ethoxy radical ethoxy  
1053 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1054 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1055 CH3OCH2 methoxymethyl radical ch3och2  
1056 NH2CH2OH aminomethanol nh2ch2oh  
1057 CH3CH2OH Ethanol etoh  
1058 CH3OCH3 Dimethyl ether meome  
1059 CH3CH2SH ethanethiol etsh  
1060 CH3SCH3 Dimethyl sulfide mesme  
1061 CH3SCH3+ dimethyl sulfide cation mesme+  
1062 CH3SeCH3 dimethylselenide dmse  
1063 CH3OHH2O methanol water dimer ch3ohh2o  
1064 H2OCH3OH water methanol dimer h2och3oh  
1065 CuF2 Copper difluoride cuf2  
1066 ZnF2 Zinc difluoride znf2  
1067 CNF iso cyanogen fluoride cnf  
1068 FCN Cyanogen fluoride fcn  
1069 ClCN chlorocyanogen clcn  
1070 BrCN Cyanogen bromide brcn  
1071 ICN Cyanogen iodide icn  
1072 FBO Boron monofluoride monoxide fbo  
1073 BeF2 Beryllium fluoride bef2  
1074 MgF2 Magnesium fluoride mgf2  
1075 BeCl2 Beryllium chloride becl2  
1076 MgCl2 Magnesium dichloride mgcl2  
1077 CaCl2 Calcium Chloride cacl2  
1078 ZnCl2 Zinc dichloride zncl2  
1079 BeBr2 Beryllium bromide bebr2  
1080 CaBr2 Calcium dibromide cabr2  
1081 CaF2 Calcium difluoride caf2  
1082 FCO Carbonyl fluoride fco  
1083 FCO+ Carbonyl fluoride cation fco+  
1084 ClCO carbonyl monochloride clco  
1085 BF2 Boron difluoride radical bf2  
1086 FNO Nitrosyl fluoride fno  
1087 ClNO Nitrosyl chloride clno  
1088 FNS Thionitrosyl fluoride fns  
1089 FSN Thiazyl fluoride fsn  
1090 OPCl Phosphorus oxychloride opcl  
1091 BrNO Nitrosyl bromide brno  
1092 INO Nitrosyl iodide ino  
1093 CF2 Difluoromethylene cf2  
1094 CF2- Difluoromethylene anion cf2-  
1095 CF2+ Difluoromethylene cation cf2+  
1096 CFCl chlorofluoromethylene cfcl  
1097 SiF2 Silicon difluoride sif2  
1098 SiF2+ Silicon difluoride cation sif2+  
1099 CCl2 dichloromethylene ccl2  
1100 CCl2- dichloromethylene anion ccl2-  
1101 CCl2+ dichloromethylene cation ccl2+  
1102 SiCl2 Dichlorosilylene sicl2  
1103 GeF2 Germanium difluoride gef2  
1104 GeCl2 Germanium dichloride gecl2  
1105 CBr2 dibromomethylene cbr2  
1106 FOO Dioxygen monofluoride radical foo  
1107 FOO+ Fluorine dioxide cation foo+  
1108 ClOO chloroperoxy radical cloo  
1109 ClOO+ chloroperoxy cation cloo+  
1110 OClO Chlorine dioxide oclo  
1111 OClO- Chlorine dioxide anion oclo-  
1112 OClO+ Chlorine dioxide cation oclo+  
1113 ClSO Sulfur chloride oxide clso  
1114 ClS2 Sulfur chloride cls2  
1115 BrOO Bromine dioxide broo  
1116 OBrO Bromine dioxide radical obro  
1117 NF2 Difluoroamino radical nf2  
1118 NF2+ Difluoroamino cation nf2+  
1119 PF2 Phosphorus difluoride pf2  
1120 PF2+ Phosphorus difluoride cation pf2+  
1121 FClO chlorosyl fluoride fclo  
1122 F2O Difluorine monoxide f2o  
1123 ClOF Chlorine hypofluorite clof  
1124 SF2 sulfur difluoride sf2  
1125 SF2- sulfur difluoride anion sf2-  
1126 SF2+ sulfur difluoride cation sf2+  
1127 Cl2O Dichlorine monoxide cl2o  
1128 SCl2 Sulfur dichloride scl2  
1129 SeF2 Selenium difluoride sef2  
1130 BrOCl Bromine hypochlorite brocl  
1131 SeCl2 Selenium Dichloride secl2  
1132 SBr2 Sulfur dibromide sbr2  
1133 SeBr2 Selenium dibromide sebr2  
1134 BrOBr Bromine oxide brobr  
1135 F3- trifluoride anion f3-  
1136 Cl3- trichloride anion cl3-  
1137 Br3- tribromide anion br3-  
1138 I3- triiodide i3-  
1139 SFCl Sulfur chloride fluoride sfcl  
1140 HCCF Fluoroacetylene hccf  
1141 HCCF+ fluoroacetylene cation hccf+  
1142 HCCCl Chloroacetylene hcccl  
1143 HCCBr bromoacetylene hccbr  
1144 HFCO formyl fluoride hfco  
1145 HFCO+ formyl fluoride cation hfco+  
1146 COHCl Formyl chloride cohcl  
1147 COHBr Formyl bromide cohbr  
1148 BHF2 Difluoroborane bhf2  
1149 BHCl2 Borane, dichloro- bhcl2  
1150 CHCl2 dichloromethyl radical chcl2  
1151 CHF2 difluoromethyl radical chf2  
1152 CHF2+ difluoromethyl cation chf2+  
1153 CHFCl Chlorofluoromethyl radical chfcl  
1154 CHFCl+ Chlorofluoromethyl cation chfcl+  
1155 CHCl2+ dichloromethyl cation chcl2+  
1156 CHBr2 dibromomethyl radical chbr2  
1157 HOClO Chlorous acid hoclo  
1158 NHF2 difluoramine nhf2  
1159 NHCl2 dichloroamine nhcl2  
1160 CH2F2 Methane, difluoro- ch2f2  
1161 CH2FCl fluorochloromethane ch2fcl  
1162 SiH2F2 difluorosilane sih2f2  
1163 CH2Cl2 Methylene chloride ch2cl2  
1164 CH2BrF Methane, bromofluoro- ch2fbr  
1165 CH2BrCl Methane, bromochloro- ch2clbr  
1166 CH2FI fluoroiodomethane ch2fi  
1167 CH2Br2 dibromomethane ch2br2  
1168 CH2ClI chloroiodomethane ch2cli  
1169 CH2BrI bromoiodomethane ch2bri  
1170 CH2I2 Diiodomethane ch2i2  
1171 SiH2Cl2 dichlorosilane sih2cl2  
1172 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1173 CH2CHF Ethene, fluoro- ch2chf  
1174 CH2CHF+ fluoroethene cation ch2chf+  
1175 C2H3Cl Ethene, chloro- ch2chcl  
1176 C2H3Br vinyl bromide c2h3br  
1177 C2H3I Vinyl iodide c2h3i  
1178 CH2FOH fluoromethanol ch2foh  
1179 CH3OCl methyl hypochlorite ch3ocl  
1180 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1181 CHClCH3 1-chloroethyl radical chclch3  
1182 C2H5F fluoroethane c2h5f  
1183 CH3CH2Cl Ethyl chloride c2h5cl  
1184 CH3SiFH2 fluoromethylsilane ch3sifh2  
1185 C2H5Br Ethyl bromide etbr  
1186 C2H5I Ethyl iodide c2h5i  
1187 KrF2 Krypton difluoride krf2  
1188 XeF2 Xenon difluoride xef2  
1189 B4H10 Tetraborane(10) b4h10  
1190 C4 Carbon tetramer c4  
1191 C4+ Carbon tetramer cation c4+  
1192 C4H2 Diacetylene c4h2  
1193 C4H2+ diacetlyene cation c4h2+  
1194 C2H3CCH 1-Buten-3-yne c2h3cch  
1195 C4H4 cyclobutadiene cbd  
1196 C4H4 Tetrahedrane c4h4  
1197 H2CCCCH2 Butatriene h2cccch2  
1198 C4H6 1-Methylcyclopropene c3100047  
1199 C4H6 Cyclobutene c822355  
1200 C4H6 Methylenecyclopropane c6142730  
1201 CH2CCHCH3 1,2-Butadiene butad12  
1202 CH2CHCHCH2 1,3-Butadiene c106990  
1203 CH3CCCH3 2-Butyne c503173  
1204 CHCCH2CH3 1-Butyne c107006  
1205 CH3CHCHCH2 methylallyl radical c4h7  
1206 C4H8 methylcyclopropane mcp  
1207 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1208 CH2CHCH2CH3 1-Butene bute1  
1209 CH3CHCHCH3 2-Butene, (E)- bute2e  
1210 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1211 B(CH3)3 trimethylborane bme3  
1212 Al(CH3)3 trimethyl aluminum tma  
1213 C(CH3)3 Tert-butyl radical tbutyl  
1214 CH2CH(CH3)2 Isobutyl radical isobutyl  
1215 CH3CHCH2CH3 2-Butyl radical butyl2  
1216 CH3CH(CH3)CH3 Isobutane isobutane  
1217 CH3CH2CH2CH3 Butane butane  
1218 SiH(CH3)3 trimethylsilane trimsi  
1219 Li3N trilithium nitride li3n  
1220 C2N2 Cyanogen c2n2  
1221 C2N2+ Cyanogen cation c2n2+  
1222 P4 Phosphorus tetramer p4  
1223 As4 Arsenic tetramer as4  
1224 HCCCN Cyanoacetylene hcccn  
1225 HCCCN+ Cyanoacetylene cation hcccn+  
1226 H2CNCN cyanamide, methylene ch2ncn  
1227 HNCCNH Ethenediimine hnccnh  
1228 C3H3N acrylonitrile ch2chcn  
1229 C3H3N+ acrylonitrile cation ch2chcn+  
1230 CH3N3 methyl azide ch3n3  
1231 NH2CCNH2 Diaminoacetylene daa  
1232 NH2CH2CN Aminoacetonitrile aan  
1233 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1234 C2H5CN ethyl cyanide c2h5cn  
1235 CH5N3 Guanidine guanidine  
1236 C4H6 Bicyclo[1.1.0]butane c157335  
1237 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1238 H2NCHCHNH2 diaminoethylene dae  
1239 CH6N3+ guanidinium ch6n3+  
1240 C3H7N Cyclopropylamine cpram  
1241 CH7N3 triaminomethane tam  
1242 C3H7N Azetidine azet  
1243 C4H8 cyclobutane cbutane  
1244 C2H8N2 Ethylenediamine ethdiam  
1245 CH3NHNHCH3 dimethyl hydrazine dmh  
1246 CH3CH(NH2)CH3 2-Propanamine pram2  
1247 N(CH3)3 Trimethylamine trimeam  
1248 NH2CH2CH2CH3 1-Propanamine pram1  
1249 P(CH3)3 trimethylphosphine tmp  
1250 N(SiH3)3 trisilylamine tsa  
1251 As(CH3)3 trimethyl arsine tmas  
1252 (CH3)3NH+ protonated trimethyl amine ptma  
1253 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1254 Li2O2 dilithium dioxide li2o2  
1255 Na2O2 disodium dioxide na2o2  
1256 K2O2 dipotassium dioxide k2o2  
1257 C3O Tricarbon monoxide c3o  
1258 B2O2 Diboron dioxide b2o2  
1259 ONNO NO dimer onno  
1260 S2N2 Disulfur dinitride s2n2  
1261 CO3 Carbon trioxide co3  
1262 CO3-- carbonate co3--  
1263 CS3-- Carbonotrithioate cs3--  
1264 NO3 Nitrogen trioxide no3  
1265 NO3- nitrate anion no3-  
1266 NO3+ nitrogen trioxide cation no3+  
1267 SO3 Sulfur trioxide so3  
1268 SO3- Sulfur trioxide anion so3-  
1269 SO3-- Sulfate dianion so3--  
1270 SO3+ Sulfur trioxide cation so3+  
1271 SeO3 selenium trioxide seo3  
1272 S4 Sulfur tetramer s4  
1273 TeO3 Tellurium trioxide teo3  
1274 HCO3- bicarbonate anion hco3-  
1275 HNO3 Nitric acid hno3  
1276 HSO3 Hydroxysulfonyl radical hso3  
1277 NH2NO2 nitramide nh2no2  
1278 C2H2CO cyclopropenone c2h2co  
1279 C3H2O Propadienal c3h2o  
1280 HCCCHO 2-propynal hcccho  
1281 C2H2O2 Ethanedial c2h2o2  
1282 C2H2O2+ Ethanedial cation c2h2o2+  
1283 H2CO3 Carbonic acid h2co3  
1284 H2CS3 thiocarbonic acid h2cs3  
1285 H2NO3+ Nitric Acid, Protonated h2no3+  
1286 H2SO3 Sulfurous acid h2so3  
1287 C2H3NO Nitrosoethylene c2h3no  
1288 CH3NCO methylisocyante ch3nco  
1289 HOCH2CN cyanomethanol hoch2cn  
1290 CH3COO- acetate anion ch3coo-  
1291 CH3NO2 Methane, nitro- ch3no2  
1292 CH3ONO Methyl nitrite ch3ono  
1293 NH2COOH Carbamic acid nh2cooh  
1294 H3BO3 Boric acid h3bo3  
1295 H3AlO3 Aluminum hydroxide h3alo3  
1296 H3CO3+ carbonic acid, protonated h3co3+  
1297 C3H4O 2-Propyn-1-ol c107197  
1298 C3H4O allenol c9000071  
1299 C3H4O Cyclopropanone cpone  
1300 C3H4O Methylketene c6004440  
1301 CH2CHCHO Acrolein c3h4o  
1302 NH2CONH2 Urea urea  
1303 NH2CONH2+ Urea cation urea+  
1304 NH2CSNH2 Thiourea thiourea  
1305 C2H4O2 1,3-dioxetane c2h4o2  
1306 CH3COOH Acetic acid ch3cooh  
1307 CH3OCHO methyl formate ch3ocho  
1308 CHOCH2OH hydroxy acetaldehyde haa  
1309 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1310 NH3COOH+ protonated Carbamic acid nh3cooh+  
1311 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1312 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1313 HCOOHH2O Formic acid water dimer hcoohh2o  
1314 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1315 CH3COCH2 Acetonyl radical ch3coch2  
1316 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1317 CH3C(OH)=NH Ethaninidic acid eia  
1318 CH3CHNOH Acetaldoxime acetaldoxime  
1319 CH3CONH2 Acetamide acetamide  
1320 HCONHCH3 N-methylformamide nmfa  
1321 CH3CSNH2 Ethanethioamide ch3csnh2  
1322 CH5N2O+ urea, N-protonated ch4n2o+  
1323 H2NCOHNH2+ urea, protonated ureah+  
1324 C2H5OO ethylperoxy radical c2h5oo  
1325 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1326 C3H5OH Cyclopropanol cproh  
1327 C3H6O 2-Propen-1-ol c107186  
1328 C3H6O Acetone enol enol  
1329 C3H6O Oxetane oxetane  
1330 C3H6O Propylene oxide prox  
1331 CH3CH2CHO Propanal propanal  
1332 CH3COCH3 Acetone acetone  
1333 CH3COCH3- acetone anion ch3coch3-  
1334 C3H6S Thietane thietane  
1335 C3H6S Thiirane, methyl- methiirane  
1336 CH3CSCH3 Thioacetone ch3csch3  
1337 C2H6O2 1,2-Ethanediol ethdiol  
1338 CH3OOCH3 dimethylperoxide dmp  
1339 CH3SOCH3 Dimethyl sulfoxide dmso  
1340 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1341 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1342 CH3COHCH3+ acetone, protonated acetoneh+  
1343 HOCH2CH2NH2 monoethanolamine mea  
1344 C3H7OH 1-Propanol proh  
1345 CH3CHOHCH3 Isopropyl alcohol isoproh  
1346 CH3OC2H5 Ethane, methoxy- etome  
1347 C3H7SH 1-Propanethiol prsh  
1348 CH3CHSHCH3 2-Propanethiol isoprsh  
1349 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1350 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1351 Li2F2 Lithium fluoride dimer li2f2  
1352 Na2F2 Sodium Fluoride Dimer na2f2  
1353 Na2Cl2 Disodium dichloride na2cl2  
1354 C2F2 difluoroacetylene c2f2  
1355 C2Cl2 dichloroacetylene c2cl2  
1356 C2Cl2+ dichloroacetylene cation c2cl2+  
1357 FNO2 Nitryl fluoride fno2  
1358 FONO Nitrosyl hypofluorite fono  
1359 ClNO2 Nitryl chloride clno2  
1360 ClONO chlorine nitrite clono  
1361 BrONO Bromine nitrite brono  
1362 N2F2 (Z)-Difluorodiazene n2f2_z  
1363 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1364 CF2O Carbonic difluoride f2co  
1365 CF2O+ Carbonic difluoride cation f2co+  
1366 COFCl Carbonic chloride fluoride cofcl  
1367 CCl2O Phosgene cl2co  
1368 Cl2CS Thiophosgene cl2cs  
1369 COBr2 Carbonic dibromide cobr2  
1370 BF3 Borane, trifluoro- bf3  
1371 BF3- Borane, trifluoro- anion bf3-  
1372 BF3+ boron trifluoride cation bf3+  
1373 AlF3 Aluminum trifluoride alf3  
1374 BClF2 Chlorodifluoroborane bclf2  
1375 AlF2Cl Aluminum chloride difluoride alclf2  
1376 ScF3 Scandium trifluoride ScF3  
1377 AlFCl2 Aluminum dichloride fluoride alcl2f  
1378 BCl3 Borane, trichloro- bcl3  
1379 BCl3+ Boron Trichloride cation bcl3+  
1380 GaF3 Gallium trifluoride gaf3  
1381 AlCl3 Aluminum trichloride alcl3  
1382 GaCl3 Gallium trichloride gacl3  
1383 BBr3 Boron tribromide bbr3  
1384 AlBr3 Aluminum Bromide albr3  
1385 ClO3 Chlorine trioxide clo3  
1386 ClO3- chlorate anion clo3-  
1387 BrO3- Bromate anion bro3-  
1388 CF3 Trifluoromethyl radical cf3  
1389 CF3- Trifluoromethyl anion cf3-  
1390 CF3+ Trifluoromethyl cation cf3+  
1391 CF2Cl difluorochloromethyl radical cf2cl  
1392 SiF3 Silicon trifluoride radical sif3  
1393 SiF3+ Silicon trifluoride cation sif3+  
1394 CFCl2 dichlorofluoromethyl radical cfcl2  
1395 CCl3 Trichloromethyl radical ccl3  
1396 CCl3- Trichloromethyl anion ccl3-  
1397 CCl3+ Trichloromethyl cation ccl3+  
1398 SiCl3 trichlorosilyl radical sicl3  
1399 SiCl3+ trichlorosilyl cation sicl3+  
1400 CBr3 tribromomethyl radical cbr3  
1401 FOOF Perfluoroperoxide foof  
1402 ClO2F Chloryl fluoride clo2f  
1403 F2SO Thionyl Fluoride f2so  
1404 ClOOCl Dichlorine dioxide cloocl  
1405 FSSF Difluorodisulfane fssf  
1406 S2F2 Thio-thionyl fluoride s2f2  
1407 SOCl2 thionyl chloride socl2  
1408 SSCl2 Thiothionyl chloride sscl2  
1409 SeOCl2 selenium oxychloride seocl2  
1410 NF3 Nitrogen trifluoride nf3  
1411 NF3- Nitrogen trifluoride anion nf3-  
1412 NF3+ Nitrogen trifluoride cation nf3+  
1413 PF3 Phosphorus trifluoride pf3  
1414 NCl3 nitrogen trichloride ncl3  
1415 AsF3 Arsenic trifluoride asf3  
1416 PCl3 Phosphorus trichloride pcl3  
1417 SbF3 Antimony Trifluoride sbf3  
1418 AsCl3 Arsenous trichloride ascl3  
1419 SbCl3 Antimony Trichloride sbcl3  
1420 NBr3 Nitrogen Tribromide nbr3  
1421 PBr3 Phosphorus tribromide pbr3  
1422 AsBr3 Arsenic tribromide asbr3  
1423 NI3 Nitrogen triiodide ni3  
1424 PI3 Phosphorus triiodide pi3  
1425 ClSSCl Disulfur dichloride s2cl2  
1426 SF3 Sulfur trifluoride sf3  
1427 ClF3 Chlorine trifluoride clf3  
1428 BrF3 Bromine trifluoride brf3  
1429 IF3 iodone trifluoride if3  
1430 HClO3 Chloric Acid hclo3  
1431 CHF3 Methane, trifluoro- chf3  
1432 CHF2Cl difluorochloromethane chf2cl  
1433 SiHF3 trifluorosilane sihf3  
1434 CHFCl2 fluorodichloromethane chfcl2  
1435 CDCl3 trichloromethane-d cdcl3  
1436 CHCl3 Chloroform chcl3  
1437 CHBrF2 Methane, bromodifluoro- chbrf2  
1438 SiHCl3 Trichlorosilane sihcl3  
1439 CHFClBr fluorochlorobromomethane chfclbr  
1440 CHBrCl2 Methane, bromodichloro- chbrcl2  
1441 CHF2I difluoroiodomethane chf2i  
1442 CHBr2F dibromofluoromethane chbr2f  
1443 CHFClI fluorochloroiodomethane chfcli  
1444 CHCl2I dichloroiodomethane chcl2i  
1445 CHClBr2 Methane, dibromochloro- chclbr2  
1446 CHBr3 bromoform chbr3  
1447 CHI3 Iodoform chi3  
1448 NF3H+ protonated nitrogen trifluoride nf3h+  
1449 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1450 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1451 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1452 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1453 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1454 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1455 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1456 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1457 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1458 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1459 C2H2Br2 1,1-dibromoethene c2h2br2  
1460 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1461 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1462 CH2FCHO Fluoroacetaldehyde ch2fcho  
1463 CH3COF Acetyl fluoride ch3cof  
1464 CH2ClCHO chloroacetaldehyde ch2clcho  
1465 CH3COCl Acetyl Chloride ch3cocl  
1466 C2H4F2 1,2-difluoroethane c2h4f2  
1467 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1468 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1469 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1470 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1471 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1472 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1473 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1474 CH2CFCH3 2-fluoropropene 2fpro  
1475 CH2CHCH2F Allyl Fluoride allylf  
1476 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1477 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1478 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1479 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1480 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1481 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1482 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1483 CH2FCH2CH3 1-Fluoropropane prf1  
1484 CH3CHFCH3 2-Fluoropropane prf2  
1485 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1486 CH3CHClCH3 Propane, 2-chloro- prcl2  
1487 CH3CH2CH2Br n-propyl bromide prbr  
1488 CH3CHBrCH3 i-propyl bromide iprbr  
1489 C3H9O+ trimethyl oxonium cation c3h9o+  
1490 B5H9 pentaborane9 b5h9  
1491 C5H4 pentatetraene ptrene  
1492 C5H5 cyclopentadienyl radical c5h5  
1493 C5H5- cylopentadienyl anion c5h5-  
1494 C5H6 1,3-Cyclopentadiene c542927  
1495 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1496 C5H6 3-Penten-1-yne, (E)- c2004695  
1497 C5H6 3-Penten-1-yne, (Z)- c1574409  
1498 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1499 C5H6 Cyclopropylacetylene c6746947  
1500 C5H6 Propellane propellane  
1501 C5H7 1,3-pentadienyl radical pdyl  
1502 C5H7 cyclopentenyl radical cpyl  
1503 C5H8 1,2-Butadiene, 3-methyl- c598254  
1504 C5H8 1,2-Pentadiene c591957  
1505 C5H8 1,3-Butadiene, 2-methyl- c78795  
1506 C5H8 1,3-Pentadiene, (E)- c2004708  
1507 C5H8 1,3-Pentadiene, (Z)- c1574410  
1508 C5H8 1,4-Pentadiene c591935  
1509 C5H8 1-pentyne a1pentyne  
1510 C5H8 2,3-Pentadiene c591968  
1511 C5H8 Bicyclo[1.1.1]pentane bcp  
1512 C5H8 Cyclobutane, methylene- c1120565  
1513 C5H8 Cyclopentene c142290  
1514 C5H8 Ethenylcyclopropane c693867  
1515 CH3CCCH2CH3 2-Pentyne 2pentyne  
1516 C5H10 1-Butene, 2-methyl- c563462  
1517 C5H10 2-Butene, 2-methyl- c513359  
1518 C5H10 2-Pentene, (E)- c646048  
1519 C5H10 2-Pentene, (Z)- c627203  
1520 C5H10 Cyclopentane c287923  
1521 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1522 CH2CHCH2CH2CH3 1-pentene pentene  
1523 C5H11 2-Methylbut-2-yl radical c4348350  
1524 C5H12 Butane, 2-methyl- buta2  
1525 C5H12 Pentane pentane  
1526 C5H12 Propane, 2,2-dimethyl- neopentane  
1527 Si(CH3)4 tetramethylsilane tms  
1528 N2O3 Dinitrogen trioxide n2o3  
1529 C3H2N2 Malononitrile c3h2n2  
1530 CH2N4 1H-Tetrazole 1htz  
1531 C3H3N2 imidazolyl radical im  
1532 C3H3N2- imidizolyl anion im-  
1533 C2H3N3 1H-1,2,4-Triazole c288880  
1534 C4H4N pyrrolide radical c4h4n  
1535 C4H4N- pyrrolide anion c4h4n-  
1536 C3H4N2 1H-Imidazole 1himidaz  
1537 C3H4N2 1H-Pyrazole 1hpyraz  
1538 C3H4N2 2H-Imidazole imid2h  
1539 C3H4N2 4H-Imidazole imid4h  
1540 C4H5N (E)-2-Butenenitrile c627269  
1541 C4H5N (Z)-2-Butenenitrile c1190767  
1542 C4H5N 2H-pyrrole pyrrole2  
1543 C4H5N 3H-pyrrole pyrrole3  
1544 C4H5N Cyclopropanecarbonitrile c5500210  
1545 C4H5N Pyrrole pyrrole  
1546 CH2CHCH2CN Allylcyanide ch2chch2cn  
1547 C4H6N+ pyrrole, alpha-protonated appyr  
1548 C4H6N+ pyrrole, beta-protonated bppyr  
1549 C4H6N+ pyrrole, protonated ppyr  
1550 C3H6N2 3-Aminopropionitrile c151188  
1551 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1552 CH3CH2CH2CN Butanenitrile c109740  
1553 C5H8 Bicyclo[2.1.0]pentane c185944  
1554 C5H8 Spiropentane c157404  
1555 C4H9N Cyclobutylamine cbam  
1556 C4H9N Pyrrolidine pyrrolidine  
1557 C3H10N2 1,2-Diaminopropane diampr12  
1558 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1559 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1560 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1561 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1562 NH(C2H5)2 diethylamine dea  
1563 NC4H12+ tetramethyl ammonium cation nc4h12+  
1564 C3O2 Carbon suboxide c3o2  
1565 C3O2+ Carbon suboxide cation c3o2+  
1566 B2O3 diboron trioxide b2o3  
1567 MgCO3 Magnesium Carbonate mgco3  
1568 BeCO3 Beryllium Carbonate beco3  
1569 CaCO3 Calcium Carbonate caco3  
1570 ONONO Nitrosyl nitrite onono  
1571 PO4--- phosphate po4---  
1572 SO4-- sulfate so4--  
1573 HOONO2 peroxy nitric acid hoono2  
1574 HSO4- bisulfate anion hso4-  
1575 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1576 C3H2O2 Propiolic acid c3h2o2  
1577 CHOCOOH oxo acetic acid oaa  
1578 CHOOCHO diformyl ether choocho  
1579 H2SO4 Sulfuric acid h2so4  
1580 H2SeO4 Selenic acid h2seo4  
1581 C3H3NO Isoxazole isox  
1582 C3H3NO Oxazole oxazole  
1583 C3H3NS Thiazole thiazole  
1584 CH3C(O)OO acetyl peroxy radical ch3coo2  
1585 CH3NO3 Methyl nitrate ch3no3  
1586 H3PO4 Phosphoric Acid h3po4  
1587 C4H4O Furan furan  
1588 C4H4O+ Furan cation furan+  
1589 CH3COCCH 3-butyn-2-one c1423605  
1590 C4H4S Thiophene furans  
1591 C4H4Se selenophene c4h4se  
1592 C3H4O2 β–Propiolactone beta  
1593 C3H4O2 2-Propenoic acid propenoic2  
1594 C3H4O2 Methyl glyoxal megly  
1595 C3H4O2 propanedial propanedial  
1596 C3H4O2 propenalol propenalol  
1597 HOCHCCHOH allenediol aldiol  
1598 C2H4O3 1,2,3-trioxolane c2h4o3  
1599 C2H4O3 trioxolane124 triox  
1600 HOCH2COOH Hydroxyacetic acid hac  
1601 CH2CHCONH2 Acrylamide c79061  
1602 CH3OCH2CN Methoxyacetonitrile c1738369  
1603 CH5N3S Hydrazinecarbothioamide c79196  
1604 H2NCH2COOH Glycine glycine  
1605 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1606 C4H6O cis-2-butenal butenal2c  
1607 C4H6O Cyclobutanone cbutone  
1608 C4H6O Furan, 2,3-dihydro- furan23h  
1609 C4H6O Furan, 2,5-dihydro- furan25h  
1610 CH2CHOCHCH2 Vinyl ether vinylether  
1611 CHOCHCHCH3 2-Butenal butenal2  
1612 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1613 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1614 CH2CHSCHCH2 Divinyl sulfide divis  
1615 C2H6N2O Urea, methyl- c598505  
1616 C3H6O2 1,3-Dioxolane dioxolane  
1617 CH3CH2COOH Propanoic Acid propanoic  
1618 CH3COOCH3 methyl acetate aame  
1619 HCOOC2H5 Ethyl formate faee  
1620 C2H6O2S Dimethyl sulfone c67710  
1621 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1622 C3H7NO dimethylformamide dmf  
1623 C3H7NO Propanamide propanam  
1624 C2H3OC2H5 Ethene, ethoxy- c109922  
1625 C4H8O Cyclobutanol c2919235  
1626 C4H8O Furan, tetrahydro- thf  
1627 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1628 CH3COCH2CH3 2-Butanone buta2one  
1629 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1630 CHOCH2CH2CH3 Butanal butanal  
1631 C4H8S Thiophene, tetrahydro- tht  
1632 C3H8O2 1,3-Propanediol c504632  
1633 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1634 C3H8O2 Methane, dimethoxy- c109875  
1635 C3H8O2 Propylene glycol c57556  
1636 C3H8S2 1,3-Propanedithiol c109808  
1637 C4H10O 1-Butanol butanol1  
1638 C4H10O 1-Propanol, 2-methyl- c78831  
1639 C4H10O 2-Butanol, (.+/-.)- butanol2  
1640 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1641 C4H10O Ethoxy ethane etoet  
1642 C4H10O Methyl propyl ether meopr  
1643 C4H10O Propane, 2-methoxy- c598538  
1644 C4H10O+ 1-Butanol cation butanol1+  
1645 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1646 C2H5SC2H5 Diethyl sulfide etset  
1647 C4H9SH 1-Butanethiol bush  
1648 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1649 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1650 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1651 FNO3 Fluorine nitrate fno3  
1652 ClONO2 Chlorine nitrate clono2  
1653 BrONO2 Bromine nitrate brono2  
1654 TiCl4 Titanium tetrachloride ticl4  
1655 ClO4- perchlorate anion clo4-  
1656 BF4- tetrafluoroboron anion bf4-  
1657 ClFO3 Perchloryl fluoride clfo3  
1658 SO2F2 Sulfuryl fluoride so2f2  
1659 SO2Cl2 Sulfuryl chloride so2cl2  
1660 F3NO Nitrogen trifluoride oxide f3no  
1661 F3PO Phosphoryl fluoride pf3o  
1662 Cl3PO Phosphoryl chloride pcl3o  
1663 CF4 Carbon tetrafluoride cf4  
1664 CF3Cl Methane, chlorotrifluoro- cf3cl  
1665 SiF4 Silicon tetrafluoride sif4  
1666 CF2Cl2 difluorodichloromethane cf2cl2  
1667 TiF4 Titanium tetrafluoride tif4  
1668 CFCl3 Trichloromonofluoromethane cfcl3  
1669 CF3Br Bromotrifluoromethane cf3br  
1670 GeF4 Germanium tetrafluoride gef4  
1671 CCl4 Carbon tetrachloride ccl4  
1672 CCl4+ Carbon tetrachloride cation ccl4+  
1673 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1674 SiCl4 Silane, tetrachloro- sicl4  
1675 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1676 CF3I trifluoroiodomethane cf3i  
1677 CBrCl3 Methane, bromotrichloro- cbrcl3  
1678 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1679 GeCl4 Germanium Tetrachloride gecl4  
1680 CBr2ClF dibromochlorofluoromethane cbr2clf  
1681 CBr2Cl2 dibromodichloromethane cbr2cl2  
1682 CCl3I trichloroiodomethane ccl3i  
1683 CFBr3 fluorotribromomethane cfbr3  
1684 CFClBrI fluorochlorobromoiodomethane cfclbri  
1685 CBr3Cl tribromochloromethane cbr3cl  
1686 CF2I2 difluorodiiodomethane cf2i2  
1687 CBr4 Carbon tetrabromide cbr4  
1688 CCl2I2 dichlorodiiodomethane ccl2i2  
1689 SiBr4 Silicon tetrabromide sibr4  
1690 CBr3I tribromoiododmethane cbr3i  
1691 GeBr4 Germanium tetrabromide gebr4  
1692 CI4 tetraiodomethane ci4  
1693 SiI4 silicon tetraiodide sii4  
1694 ClOF3 Chlorine trifluoride oxide clof3  
1695 SF4 Sulfur tetrafluoride sf4  
1696 SeF4 Selenium tetrafluoride sef4  
1697 SCl4 Sulfur tetrachloride scl4  
1698 C2HF3 Trifluoroethylene c2hf3  
1699 C2HF3+ Trifluoroethylene cation c2hf3+  
1700 CHClCCl2 Trichloroethylene chclccl2  
1701 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1702 HClO4 perchloric acid hclo4  
1703 HSO3F Fluorosulfonic acid hso3f  
1704 CF3OH trifluoromethanol cf3oh  
1705 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1706 CHClCCHCl 1,3-dichloroallene chclcchcl  
1707 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1708 CHCl2CHO dichloroacetaldehyde chcl2cho  
1709 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1710 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1711 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1712 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1713 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1714 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1715 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1716 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1717 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1718 NH3BCl3 Amminetrichloroboron nh3bcl3  
1719 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1720 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1721 C3H5ClO Oxirane, (chloromethyl)- c106898  
1722 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1723 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1724 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1725 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1726 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1727 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1728 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1729 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1730 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1731 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1732 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1733 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1734 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1735 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1736 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1737 C4H9F 1-fluorobutane butaf1  
1738 CH3CHFCH2CH3 2-fluorobutane butaf2  
1739 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1740 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1741 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1742 XeF4 Xenon tetrafluoride xef4  
1743 C2H2N2O Furazan furazan  
1744 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1745 NH3BF3 Amminetrifluoroboron nh3bf3  
1746 C6H2 hexatriyne c6h2  
1747 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1748 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1749 C6H4 Benzyne benzyne  
1750 C6H5 phenyl phenyl  
1751 C6H5- phenyl anion phenyl-  
1752 C6H6 Prismane prismane  
1753 C6H6 1,2,4,5-Hexatetraene ht1245  
1754 C6H6 2,4-Hexadiyne hexadiyne  
1755 C6H6 3,4-Dimethylenecyclobutene cb34m  
1756 C6H6 Benzene benzene  
1757 C6H6 Benzvalene bv  
1758 C6H6 Dewar Benzene dewar  
1759 C6H6 Hexa-1,5-diene-3-yne hdy153  
1760 C6H6 Trimethylenecycopropane tmcp  
1761 C6H6+ Benzene cation c6h6+  
1762 C6H7+ benzene, protonated c6h7+  
1763 C6H8 (E)-hexa-1,3,5-triene c821078  
1764 C6H8 (E)-hexa-2,3,4-triene c59660650  
1765 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1766 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1767 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1768 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1769 C6H8 3-Methylenecyclopentene c930267  
1770 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1771 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1772 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1773 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1774 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1775 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1776 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1777 C6H10 1,5-Hexadiene c592427  
1778 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1779 C6H10 1-Hexyne hexyne1  
1780 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1781 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1782 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1783 C6H10 2-Hexyne c764352  
1784 C6H10 3-Hexyne hexyne3  
1785 C6H10 cyclohexene cyclohexene  
1786 C6H10 Cyclopentene, 1-methyl- c693890  
1787 C6H10 Cyclopentene, 3-methyl- c1120623  
1788 C6H10 Cyclopentene, 4-methyl- c1759815  
1789 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1790 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1791 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1792 C6H12 (E)-2-Hexene e2hexene  
1793 C6H12 (E)-3-methylpent-2-ene c616126  
1794 C6H12 (E)-hex-3-ene e3hexene  
1795 C6H12 (Z)-3-methylpent-2-ene c922623  
1796 C6H12 (Z)-hex-2-ene z2hexene  
1797 C6H12 (Z)-hex-3-ene z3hexene  
1798 C6H12 2,3-dimethylbut-1-ene c563780  
1799 C6H12 2,3-dimethyl-but-2-ene tmeet  
1800 C6H12 3-methylenepentane c760214  
1801 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1802 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1803 C6H12 Cyclohexane cyclohexane  
1804 C6H12 Cyclopentane, methyl- c96377  
1805 C6H12 Ethylcyclobutane c4806615  
1806 C6H12 hex-1-ene hexene1  
1807 C6H14 Butane, 2,2-dimethyl- buta22  
1808 C6H14 Butane, 2,3-dimethyl- buta23  
1809 C6H14 Hexane hexane  
1810 C6H14 Pentane, 2-methyl- penta2  
1811 C6H14 Pentane, 3-methyl- penta3  
1812 C4N2 2-Butynedinitrile c4n2  
1813 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1814 C4H2N2 Fumaronitrile c4h2n2  
1815 C2H2N4 sym-tetrazine ttz  
1816 C3H3N3 1,3,5-Triazine triazine135  
1817 CH3N5 5-Aminotetrazole c4418615  
1818 C4H4N2 1,3-Diazine diazine13  
1819 C4H4N2 Pyrazine pyrazine  
1820 C4H4N2 Pyridazine pyridazine  
1821 C4H4N2 Succinonitrile c110612  
1822 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1823 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1824 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1825 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1826 C5H5N E-2,4-pentadienenitrile bdcn  
1827 C5H5N Pyridine pyridine  
1828 B3N3H6 borazine borazine  
1829 C6H6 Fulvene fulvene  
1830 C5H6N+ Pyridinium c5h6n  
1831 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1832 C5H7N (E)-2-Pentenenitrile c26294984  
1833 C5H7N (E)-3-Pentenenitrile c16529661  
1834 C5H7N (Z)-2-Pentenenitrile c25899507  
1835 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1836 C5H7N Cyclobutanecarbonitrile c4426113  
1837 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1838 C5H9N Butanenitrile, 2-methyl- c18936179  
1839 C5H9N Pentanenitrile c110598  
1840 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1841 C6H10 Bicyclo[3.1.0]hexane c285585  
1842 C5H11N Cyclopentanamine cypentam  
1843 C5H11N Piperidine piper  
1844 C4H12N2 1,2-Butanediamine c4426486  
1845 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1846 Li2CO3 Lithium Carbonate li2co3  
1847 Na2CO3 Sodium Carbonate na2co3  
1848 C2O4-- oxalate anion c2o4  
1849 MgSO4 Magnesium Sulfate mgso4  
1850 N2O4 Dinitrogen tetroxide n2o4  
1851 C3H2O3 vinylene carbonate vica  
1852 C2H2O4 Oxalic Acid oxalic  
1853 C2H3NO3 Oxamic acid oxamic  
1854 C4H4O2 2(5H)-Furanone furanone  
1855 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1856 C2H4N2O2 Oxalamide oxalamide  
1857 C2H4N2S2 Ethanedithioamide c79403  
1858 C2H4CO3 Ethylene carbonate etco3  
1859 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1860 C3H4S3 1,3-Dithiolane-2-thione c822388  
1861 C2H4O4 Formic acid dimer fadimer  
1862 C4H5NO 3-Methylisoxazole isox3m  
1863 C4H5NO Isoxazole, 5-methyl- c5765446  
1864 C4H5NS 4-Methylthiazole c693958  
1865 C2H5NO3 Nitric acid, ethyl ester c625581  
1866 C5H6O 2H-Pyran pyran2  
1867 C5H6O 2-methylfuran furan2m  
1868 C5H6O 3-Methylfuran furan3m  
1869 C5H6O Pentadienal pdal  
1870 C5H6S Thiophene, 2-methyl- c554143  
1871 C5H6S Thiophene, 3-methyl- c616444  
1872 C4H6O2 γ–Butyrolactone c96480  
1873 C4H6O2 2,3-Butanedione c431038  
1874 C4H6O2 2-Propenoic acid, methyl ester c96333  
1875 C4H6O2 Crotonic Acid crot  
1876 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1877 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1878 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1879 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1880 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1881 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1882 C4H6OS Vinyl sulfoxide c1115157  
1883 CH6N4S Carbonothioic dihydrazide thiacarb  
1884 C2H6N2O2 (E)-Azodioxymethane c37765154  
1885 C2H6N2O2 Dimethylnitroamine c4164287  
1886 C3H6O3 1,3,5-Trioxane trioxane  
1887 C3H6S3 1,3,5-Trithiane c3h6s3  
1888 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1889 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1890 C4H7NO 2-Pyrrolidinone c616455  
1891 C4H7NO Ethoxyacetonitrile etoaccn  
1892 C4H7NO Methacrylamide c79390  
1893 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1894 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1895 C3H7ONO Propyl nitrite prono  
1896 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1897 CH3CH(NH2)COOH Alanine alanine  
1898 CH3NHCH2COOH Sarcosine sarcosine  
1899 NH2CH2CH2COOH β–alanine betaalanine  
1900 NH2COOC2H5 Urethane urethane  
1901 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1902 C5H8O Cyclopentanone c120923  
1903 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1904 C5H8O Methyl cyclopropyl ketone c765435  
1905 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1906 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1907 NH2CONHC2H5 Urea, ethyl- c625525  
1908 C4H8O2 1,3-Dioxane dioxan13  
1909 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1910 C4H8O2 1,4-Dioxane dioxan14  
1911 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1912 C4H8O2 Ethyl acetate c141786  
1913 C4H8OS s-Ethyl thioacetate c625605  
1914 C3H8O3 1,2,3-Propanetriol glycerin  
1915 C3H8O2S (Methylsulfonyl)ethane c594434  
1916 C4H9NO Butanamide c541355  
1917 C4H9NO Propanamide, 2-methyl- c563837  
1918 C5H10O 2-Butanone, 3-methyl- c563804  
1919 C5H10O 2H-Pyran, tetrahydro- c142687  
1920 C5H10O 2-methylbutyraldehyde 2meba  
1921 C5H10O 2-Pentanone mpk  
1922 C5H10O 3-Pentanone dek  
1923 C5H10O Cyclopentanol c96413  
1924 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1925 C5H10O Pentanal pal  
1926 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1927 C5H10S 3-Ethylthio-1-propene c5296628  
1928 C5H10S Cyclopentanethiol c1679078  
1929 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1930 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1931 C4H10O2 1,1-Dimethoxyethane c534156  
1932 C4H10O2 1,3-Butanediol budiol13  
1933 C4H10O2 1,4-Butanediol budiol14  
1934 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1935 C4H10OS Diethyl sulfoxide c70291  
1936 C4H10S2 1,4-Butanedithiol budisl14  
1937 C4H11NO Diethylhydroxylamine c3710847  
1938 C5H12O 1-Butanol, 2-methyl- c137326  
1939 C5H12O 1-Butanol, 3-methyl- c123513  
1940 C5H12O 1-Pentanol pentanol1  
1941 C5H12O 2-Butanol, 3-methyl- c598754  
1942 C5H12O 2-Pentanol peol2  
1943 C5H12O 3-Pentanol pentan3ol  
1944 C5H12O Butane, 1-methoxy- meobu  
1945 C5H12O Propane, 1-ethoxy- proet  
1946 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1947 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1948 C5H12S 1-Butanethiol, 3-methyl- c541311  
1949 C5H12S 1-Pentanethiol c110667  
1950 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1951 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1952 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1953 C5H12S Butane, 1-(methylthio)- c628295  
1954 C5H12S Ethyl propyl sulfide c4110503  
1955 C5H12S Propane, 2-(ethylthio)- c5145993  
1956 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1957 C4F2 difluorobutadiyne c4f2  
1958 ClCOClCO Oxalyl chloride oxcl  
1959 CF3CN Acetonitrile, trifluoro- cf3cn  
1960 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1961 B2F4 Diboron tetrafluoride b2f4  
1962 B2Cl4 Diboron tetrachloride b2cl4  
1963 C2F4 Tetrafluoroethylene c2f4  
1964 C2F4+ Tetrafluoroethylene cation c2f4+  
1965 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1966 CF2CCl2 difluorodichloroethylene cf2ccl2  
1967 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1968 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1969 C2FCl3 fluorotrichloroethene c2fcl3  
1970 C2Cl4 Tetrachloroethylene c2cl4  
1971 C2Br4 tetrabromoethene c2br4  
1972 CF3OF Trifluoromethylhypofluorite cf3of  
1973 SiF5- silicon pentafluoride anion sif5-  
1974 SOF4 Sulfur tetrafluoride oxide sof4  
1975 PF5 Phosphorus pentafluoride pf5  
1976 AsF5 Arsenic pentafluoride asf5  
1977 PCl5 Phosphorus pentachloride pcl5  
1978 SF5 Sulfur pentafluoride sf5  
1979 SF5+ pentafluoro sulfur cation sf5+  
1980 SbCl5 Antimony pentachloride sbcl5  
1981 BrF5 bromine pentafluoride brf5  
1982 ClF5 chlorinepentafluoride clf5  
1983 IF5 pentafluoroiodine if5  
1984 CF3CHO trifluoroacetaldehyde cf3cho  
1985 CCl3CHO trichloroacetaldehyde ccl3cho  
1986 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1987 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1988 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1989 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1990 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1991 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1992 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1993 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1994 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1995 CF3COOH trifluoroacetic acid cf3cooh  
1996 C4H3ClO Furan, 2-chloro fur2cl  
1997 C4H3ClO Furan,3-chloro fur3cl  
1998 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1999 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
2000 C4H8Cl2 1,4-Dichlorobutane c110565  
2001 C4H8Cl2 Butane, 1,2-dichloro- c616217  
2002 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
2003 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
2004 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
2005 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
2006 C5H11Cl Pentane, 1-chloro- pencl1  
2007 C4H8O2 Butanoic acid bua  
2008 C6H5CH2 benzyl radical benzyl  
2009 C7H7 cycloheptatrienyl radical c7h7  
2010 C7H7+ cycloheptatrienyl cation c7h7+  
2011 C6H5CH3 toluene toluene  
2012 C7H8 cycloheptatriene cht  
2013 C7H8 Norbornadiene norbor  
2014 C7H8 Quadricyclane qucy  
2015 C7H12 Norbornane nor  
2016 C7H14 cycloheptane c7h14  
2017 C7H16 2-methylhexane 2mhex  
2018 C7H16 3-methylhexane hex3m  
2019 C7H16 heptane heptane  
2020 CH(CN)3 tricyanomethane mecn3  
2021 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
2022 C6H7N 2-Methylpyridine mp  
2023 C6H5NH2 aniline aniline  
2024 C6H13N 2-Methylpiperidine pip2m  
2025 C6H13N cyclohexanamine cham  
2026 C6H15N triethylamine tea  
2027 N2O5 Dinitrogen pentoxide n2o5  
2028 C4H2O3 Maleic Anhydride malan  
2029 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
2030 C5H4O2 furfural furfural  
2031 C6H5O phenoxy radical phenoxy  
2032 C5H5NO 2(1H)-Pyridinone c72762006  
2033 C5H5NO 2(3H)-Pyridinone c9000048  
2034 C5H5NO 2(5H)-Pyridinone c9000037  
2035 C5H5NO 2-Pyridinol c109104  
2036 C5H5NO 3(2H)-Pyridinone c9000004  
2037 C5H5NO 3(4H)-Pyridinone c9000026  
2038 C5H5NO 3(6H)-Pyridinone c9000015  
2039 C5H5NO 3-Pyridinol c109002  
2040 C5H5NO 4(1H)-Pryidinone c9000060  
2041 C5H5NO 4(3H)-Pryidinone c9000059  
2042 C5H5NO 4-Pyridinol c626642  
2043 C6H5OH phenol phenol  
2044 C6H6O 2,4-Cyclohexadienone c24599573  
2045 C6H6O 2,5-Cyclohexadienone c5664335  
2046 C6H5SH Benzenethiol phsh  
2047 HO2CCHNH2CH2OH Serine serine  
2048 C5H8O2 Acetylacetone acac  
2049 C4H8O2S Sulfolane sulfolane  
2050 C7H10 Norbornene norbornene  
2051 CH(C2H3)3 trivinyl methane tvm  
2052 C6H10O cyclohexanone chexo  
2053 C6H12O hexanal c6h12o  
2054 C6H12O Oxepane oxepane  
2055 C3H7OC3H7 di-n-propyl ether propr  
2056 F2CCCF2 tetrafluoroallene pfa  
2057 CF3COO- trifluoro acetate anion cf3coo-  
2058 CF3COF trifluoroacetyl fluoride cf3cof  
2059 CF3COCl trifluoroacetyl chloride cf3cocl  
2060 PF6 Hexafluorophosphate neutral pf6  
2061 PF6- Hexafluorophosphate ion pf6-  
2062 SF6 Sulfur Hexafluoride sf6  
2063 SeF6 Selenium hexafluoride sef6  
2064 SF5Cl sulfur chloropentafluoride sf5cl  
2065 CF3CHF2 pentafluoroethane cf3chf2  
2066 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
2067 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2068 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2069 CCl3CHCl2 pentachloroethane ccl3chcl2  
2070 C6H5F Fluorobenzene bzf  
2071 C6H5Cl chlorobenzene bzcl  
2072 C6H5Br bromobenzene bzbr  
2073 C8H6 Calicene calicene  
2074 C6H5CCH phenylacetylene phac  
2075 C8H6 benzocyclobutadiene bcbd  
2076 C8H6 Pentalene pentalene  
2077 C6H5CHCH2 Styrene styrene  
2078 C8H8 cubane cubane  
2079 C8H8 cyclooctatetraene cot  
2080 C6H5CH2CH3 Ethylbenzene etbz  
2081 CH3C6H4CH3 meta-xylene mxylene  
2082 CH3C6H4CH3 paraxylene pxylene  
2083 C8H14 Bicyclo[2.2.2]octane bico222  
2084 C8H16 cyclooctane cyclooct  
2085 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2086 C8H18 Octane c8h18  
2087 C6H5CN phenyl cyanide phcn  
2088 C6H12N2 Triethylenediamine ted  
2089 C4O4-- squarate dianion c4o4--  
2090 S4N4 Tetrasulfur tetranitride s4n4  
2091 S8 Octasulfur s8  
2092 C6H4O2 parabenzoquinone pbq  
2093 C4H4N2O2 Uracil uracil  
2094 C6H5CHO benzaldehyde benzal  
2095 C6H5OCH3 Anisole anisole  
2096 C5H9NO2 Proline proline  
2097 C6H12O2 Methyl pivalate c598981  
2098 C6H12O2 Hexanoic acid hexa  
2099 C4F4 tetrafluorcyclobutadiene c4f4  
2100 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2101 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2102 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2103 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2104 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2105 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2106 C2F6 hexafluoroethane c2f6  
2107 C2Cl6 hexachloroethane c2cl6  
2108 IF7 Iodine heptafluoride if7  
2109 C6H4F2 metadifluorobenzene mdfb  
2110 C6H4F2 orthodifluorobenzene odfb  
2111 C6H4F2 1,4-difluorobenzene pdfb  
2112 C6H4Cl2 1,2-dichlorobenzene dcb12  
2113 C6H4Cl2 1,3-dichlorobenzene dcb13  
2114 C6H4Cl2 1,4-dichlorobenzene dcb14  
2115 C6H5NO nitrosobenzene bzno  
2116 C9H8 Indene indene  
2117 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2118 C9H12 n-propyl benzene prbz  
2119 C9H20 Nonane nonane  
2120 C(CN)4 tetracyanomethane c5n4  
2121 C5H4N4 purine purine  
2122 C8H7N Indole indole  
2123 C3H3N3O3 cyanuric acid cyanuric  
2124 C6H5NO2 Nitrobenzene c6h5no2  
2125 C6H5COOH benzoic acid benzo  
2126 CH3COC6H5 acetophenone acph  
2127 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2128 C3F6 hexafluoropropene c3f6  
2129 C6H3F3 Benzene trifluoride 123 bzf3a  
2130 C8H18O 1-Octanol octanol  
2131 C10H8 Azulene azu  
2132 C10H8 naphthalene naph  
2133 C10H10 bullvalene bullv  
2134 C10H16 adamantane adamantane  
2135 C6N4 Tetracyanoethylene tcne  
2136 C6N4- tetracyanoethylene anion tcne-  
2137 C10H22 Decane decane  
2138 C4F6 perfluorobutadiene c4f6  
2139 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2140 C3F8 perfluoropropane c3f8  
2141 Fe(CO)5 Iron pentacarbonyl ipc  
2142 Fe(C5H5)2 ferrocene fecp2  
2143 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2144 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2145 C12H8 Acenaphthylene acenaph  
2146 C12H8 biphenylene biph  
2147 C12H10 biphenyl biphenyl  
2148 C12H10 Heptalene heptalene  
2149 C6H12O6 Inositol inositol  
2150 C6F6 hexafluorobenzene c6f6  
2151 S2F10 disulphur decafluoride s2f10  
2152 C13H10 Fluorene fluorene  
2153 C14H10 Anthracene anth  
2154 C14H10 Phenanthrene phenanthrene  
2155 C14H14 Bibenzyl bibenzyl  
2156 C12H10N2 azobenzene azobenzene  
2157 C6H5COC6H5 benzophenone benzophenone  
2158 C16H10 Pyrene pyrene  
2159 C18H12 Tetracene tetracene  
2160 C19H16 Triphenylmethane tpm  
2161 C24H12 Coronene coronene  
2162 C60 Buckminsterfullerene c60