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 QCISD(TQ) /STO-3G

Jump to calculations not yet done
count Species Name State Conformation
1 Li Lithium atom 2SKh
2 B Boron atom 2PKh
3 C Carbon atom 3P0Kh
4 C Carbon atom 3P1Kh
5 Si Silicon atom 3PKh
6 Si Silicon atom 1SKh
7 CH4 Methane 1A1Td
8 N Nitrogen atom 4SKh
9 N Nitrogen atom 2DKh
10 P Phosphorus atom 4SKh
11 NH3 Ammonia 1A1C3v
12 O Oxygen atom 3SKh
13 O+ Oxygen atom cation 4SKh
14 S Sulfur atom 3PKh
15 H2O Water 1A1C2v
16 F+ Fluorine atom cation 3SKh
17 Cl+ Chlorine atom cation 3PKh
18 HF Hydrogen fluoride 1ΣC∞v
19 HCl Hydrogen chloride 1ΣC∞v
20 Na2 Sodium diatomic 1ΣgD∞h
21 C2H2 Acetylene 1ΣgD∞h
22 C2H4 Ethylene 1AgD2h
23 C2H6 Ethane 1A1gD3d
24 N2 Nitrogen diatomic 1ΣgD∞h
25 CO Carbon monoxide 1ΣC∞v
26 NO Nitric oxide 2ΠC∞v
27 O2 Oxygen diatomic 3ΣgD∞h
28 H2CO Formaldehyde 1A1C2v
29 BF Boron monofluoride 1ΣC∞v
30 F2 Fluorine diatomic 1ΣgD∞h
31 C3H5 Allyl radical 2A2C2v
32 C3H6 Cyclopropane 1A1'D3h
33 CH2CHCH3 Propene 1A'Cs
34 CO2 Carbon dioxide 1ΣgD∞h
35 SO2 Sulfur dioxide 1A1C2v
36 BF3 Borane, trifluoro- 1A'D3h
37 AlF3 Aluminum trifluoride 1A1'D3h

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 anion li-  
20 Li+ Lithium atom cation li+  
21 Na Sodium atom na  
22 Na- Sodium atom anion na-  
23 Na+ Sodium atom cation na+  
24 K Potassium atom k  
25 K- Potassium atom anion k-  
26 K+ Potassium atom cation k+  
27 Cu Copper atom cu  
28 Cu- Copper atom anion cu-  
29 Cu+ Copper atom cation cu+  
30 LiH Lithium Hydride lih  
31 LiH- lithium hydride anion lih-  
32 LiH+ lithium hydride cation lih+  
33 NaH sodium hydride nah  
34 NaH- sodium hydride anion nah-  
35 NaH+ sodium hydride cation nah+  
36 KH Potassium hydride kh  
37 KH+ Potassium hydrogen cation kh+  
38 CuH Copper monohydride cuh  
39 Be Beryllium atom be  
40 Be- Beryllium atom anion be-  
41 Be+ Beryllium atom cation be+  
42 Mg Magnesium atom mg  
43 Mg- Magnesium atom anion mg-  
44 Mg+ Magnesium atom cation mg+  
45 Ca Calcium atom ca  
46 Ca- Calcium atom anion ca-  
47 Ca+ Calcium atom cation ca+  
48 Zn Zinc atom zn  
49 Zn- Zinc atom anion zn-  
50 Zn+ Zinc atom cation zn+  
51 BeH beryllium monohydride beh  
52 BeH- berylium monohydride anion beh-  
53 BeH+ beryllium monohydride cation beh+  
54 MgH magnesium monohydride mgh  
55 MgH- magnesium monohydride anion mgh-  
56 MgH+ magnesium monohydride cation mgh+  
57 CaH Calcium monohydride cah  
58 CaH+ Calcium monohydride cation cah+  
59 TiH Titanium monohydride tih  
60 ZnH Zinc monohydride znh  
61 ZnH+ Zinc, protonated znh+  
62 BeH2 beryllium dihydride beh2  
63 BeH2+ Beryllium dihydride cation beh2+  
64 MgH2 magnesium dihydride mgh2  
65 CaH2 Calcium Hydride cah2  
66 ZnH2 Zinc hydride znh2  
67 B- Boron atom anion b-  
68 B+ Boron atom cation b+  
69 Al Aluminum atom al  
70 Al- Aluminum atom anion al-  
71 Al+ Aluminum atom cation al+  
72 Sc Scandium atom sc  
73 Sc+ Scandium cation sc+  
74 Ga Gallium atom ga  
75 Ga- Gallium atom anion ga-  
76 Ga+ Gallium atom cation ga+  
77 BH Boron monohydride bh  
78 BH- boron monohydride anion bh-  
79 BH+ boron monohydride cation bh+  
80 AlH aluminum monohydride alh  
81 AlH- aluminum monohydride anion alh-  
82 AlH+ aluminum monohydride cation alh+  
83 ScH Scandium monohydride sch  
84 ScH+ Scandium monohydride cation sch+  
85 GaH Gallium monohydride gah  
86 GaH+ Gallium monohydride cation gah+  
87 BH2 boron dihydride bh2  
88 BH2- boron dihydride anion bh2-  
89 BH2+ Boron dihydride cation bh2+  
90 AlH2 aluminum dihydride alh2  
91 AlH2- aluminum dihydride anion alh2-  
92 AlH2+ aluminum dihydride cation alh2+  
93 BH3 boron trihydride bh3  
94 BH3- boron trihydride anion bh3-  
95 BH3+ boron trihydride cation bh3+  
96 AlH3 aluminum trihydride alh3  
97 AlH3- aluminum trihydride anion alh3-  
98 AlH3+ aluminum trihydride cation alh3+  
99 ScH3 Scandium trihydride sch3  
100 GaH3 Gallium trihydride gah3  
101 BH4 borohydride bh4  
102 BH4- borohydride anion bh4-  
103 AlH4- Aluminum tetrahydride anion alh4-  
104 C- Carbon atom anion c-  
105 C+ Carbon atom cation c+  
106 Si- Silicon atom anion si-  
107 Si+ Silicon atom cation si+  
108 Ti Titanium atom ti  
109 Ti- Titanium atom anion ti-  
110 Ti+ Titanium atom cation ti+  
111 Ge Germanium atom ge  
112 Ge- Germanium anion ge-  
113 Ge+ Germanium cation ge+  
114 Sn Tin atom sn  
115 Sn+ Tin cation sn+  
116 CH Methylidyne ch  
117 CH- methylidyne anion ch-  
118 CH+ Methylidyne cation ch+  
119 SiH Silylidyne sih  
120 SiH- silicon monohydride anion sih-  
121 SiH+ silicon monohydride cation sih+  
122 GeH germylidene geh  
123 GeH+ Germaniun monohyrdide cation geh+  
124 CH2 Methylene ch2  
125 CH2- methylene anion ch2-  
126 CH2+ methylene cation ch2+  
127 SiH2 silicon dihydride sih2  
128 SiH2- silicon dihydride anion sih2-  
129 SiH2+ silicon dihydride cation sih2+  
130 GeH2 germylene geh2  
131 GeH2- germylene anion geh2-  
132 CH3 Methyl radical ch3  
133 CH3- methyl anion ch3-  
134 CH3+ methyl cation ch3+  
135 SiH3 Silyl radical sih3  
136 SiH3- Silyl anion sih3-  
137 SiH3+ Silyl cation sih3+  
138 GeH3 Germyl radical geh3  
139 GeH3+ germyl cation geh3+  
140 CD4 methane-d4 cd4  
141 CH2D2 methane-d2 ch2d2  
142 CH3D methane-d ch3d  
143 CH4- Methane anion ch4-  
144 CH4+ Methane cation ch4+  
145 CHD3 methane-d3 chd3  
146 SiH2D2 silane-d2 sih2d2  
147 SiH4 Silane sih4  
148 SiH4+ Silane cation sih4+  
149 GeH4 Germane geh4  
150 SnH4 Stannane snh4  
151 SiH5+ Silane, protonated sih5+  
152 N- Nitrogen atom anion n-  
153 N+ Nitrogen atom cation n+  
154 P- Phosphorus atom anion p-  
155 P+ Phosphorus atom cation p+  
156 V Vanadium atom v  
157 V+ Vanadium atom cation v+  
158 As Arsenic atomic as  
159 As- Arsenic anion as-  
160 As+ Arsenic cation as+  
161 Sb Antimony atom sb  
162 NH Imidogen nh  
163 NH- Imidogen anion nh-  
164 NH+ imidogen cation nh+  
165 PH phosphorus monohydride ph  
166 PH- phosphorus monohydride anion ph-  
167 PH+ phosphorus monohydride cation ph+  
168 AsH Arsenic monohydride ash  
169 AsH+ Arsenic monohydride cation ash+  
170 SbH Antimony monohydride sbh  
171 ND2 Amidogen-d2 nd2  
172 NH2 Amino radical nh2  
173 NH2- amino anion nh2-  
174 NH2+ Amino cation nh2+  
175 PH2 Phosphino radical ph2  
176 PH2- Phosphino anion ph2-  
177 PH2+ Phosphino cation ph2+  
178 AsH2 Arsenic dihydride ash2  
179 AsH2+ Arsenic dihydride cation ash2+  
180 ND3 Ammonia-d3 nd3  
181 NH3- Ammonia anion nh3-  
182 NH3+ ammonia cation nh3+  
183 PH3 Phosphine ph3  
184 PH3+ Phosphine cation ph3+  
185 AsH3 Arsine ash3  
186 AsH3+ Arsine cation ash3+  
187 SbH3 Stibine sbh3  
188 AsH4+ Arsonium ash4+  
189 NH4 Ammonium radical nh4  
190 NH4+ ammonium cation nh4+  
191 PH4 Phosphoranyl radical ph4  
192 PH4+ phosphonium cation ph4+  
193 O- Oxygen atom anion o-  
194 S- Sulfur atom anion s-  
195 S+ Sulfur atom cation s+  
196 Cr Chromium atom cr  
197 Se Selenium atom se  
198 Se- Selenium atom anion se-  
199 Se+ Selenium atom cation se+  
200 Te Tellurium atom te  
201 Te+ Tellurium atom cation te+  
202 DO Hydroxyl-d od  
203 OH Hydroxyl radical oh  
204 OH- hydroxide anion oh-  
205 OH+ hydoxyl cation oh+  
206 DS Mercapto-d ds  
207 HS Mercapto radical hs  
208 HS- mercapto anion sh-  
209 HS+ sulfur monohydride cation sh+  
210 CrH Chromium hydride crh  
211 CrH+ Chromium hydride cation crh+  
212 HSe Selenium monohydride hse  
213 HSe- selenium monohydride anion hse-  
214 HSe+ selenium monohydride cation hse+  
215 TeH Telluryl radical teh  
216 D2O Deuterium oxide d2o  
217 H2O- water anion h2o-  
218 H2O+ water cation h2o+  
219 HDO Water-d1 hdo  
220 D2S Hydrogen sulfide-d2 d2s  
221 H2S Hydrogen sulfide h2s  
222 H2S- Hydrogen sulfide anion h2s-  
223 H2S+ Hydrogen sulfide cation h2s+  
224 H2Se Hydrogen selenide h2se  
225 H2Se+ Hydrogen selenide cation h2se+  
226 H2Te Hydrogen Telluride h2te  
227 H3O+ hydronium cation h3o+  
228 H3S+ Sulfonium cation h3s+  
229 H3Se+ Hydrogen Selenide, protonated h3se+  
230 F Fluorine atom f  
231 F- Fluorine atom anion f-  
232 Cl Chlorine atom cl  
233 Cl- Chlorine atom anion cl-  
234 Mn Manganese atom mn  
235 Br Bromine atom br  
236 Br- Bromine atom anion br-  
237 Br+ Bromine atom cation br+  
238 I Iodine atom iodine  
239 I- Iodine atom anion iodine-  
240 I+ Iodine atom cation iodine+  
241 DF Hydrofluoric acid-d df  
242 HF- hydrogen fluoride anion hf-  
243 HF+ hydrogen fluoride cation hf+  
244 DCl Hydrochloric acid-d dcl  
245 HCl- hydrogen chloride anion hcl-  
246 HCl+ hydrogen chloride cation hcl+  
247 HBr hydrogen bromide hbr  
248 HBr- hydrogen bromide anion hbr-  
249 HBr+ hydrogen bromide cation hbr+  
250 HI Hydrogen iodide hi  
251 HI+ Hydrogen iodide cation hi+  
252 H2F+ dihydrogen fluoride cation h2f+  
253 H2Cl+ dihydrogen monochloride cation h2cl+  
254 H2Br+ protonated hydrogen bromide h2br+  
255 H2I+ Iodonium h2i+  
256 Ne Neon atom ne  
257 Ne- Neon atom anion ne-  
258 Ne+ Neon atom cation ne+  
259 Ar Argon atom ar  
260 Ar- Argon atom anion ar-  
261 Ar+ Argon atom cation ar+  
262 Fe Iron atom fe  
263 Kr Krypton atom kr  
264 Kr+ Krypton cation kr+  
265 Xe Xenon atom xe  
266 HeLi+ Helium Lithium cation heli+  
267 NeH neon hydrogen neh  
268 NeH+ neon hydrogen cation neh+  
269 ArH+ Argon hydride cation arh+  
270 KrH+ Protonated Krypton krh+  
271 XeH+ Xenon, protonated xeh+  
272 H2Ar H2 Ar dimer h2ar  
273 Co Cobalt atom cobalt  
274 Ni Nickel atom ni  
275 Li2 Lithium diatomic li2  
276 Li2- lithium diatomic anion li2-  
277 Li2+ lithium diatomic cation li2+  
278 NaLi lithium sodium lina  
279 NaLi- lithium sodium anion lina-  
280 NaLi+ lithium sodium cation lina+  
281 LiK Lithium Potassium lik  
282 Na2- sodium diatomic anion na2-  
283 Na2+ sodium diatomic cation na2+  
284 NaK Sodium Potassium nak  
285 NaK+ Sodium Potassium diatomic cation nak+  
286 K2 Potassium diatomic k2  
287 Cu2 Copper diatomic cu2  
288 LiBe Lithium Beryllium libe  
289 LiMg Lithium magnesium limg  
290 NaBe Sodium Beryllium nabe  
291 NaMg Sodium Magnesium namg  
292 Be2 Beryllium diatomic be2  
293 Be2- Beryllium diatomic anion be2-  
294 Be2+ Beryllium diatomic cation be2+  
295 BeMg Beryllium Magnesium bemg  
296 Mg2 Magnesium diatomic mg2  
297 Mg2- magnesium diatomic anion mg2-  
298 Mg2+ magnesium diatomic cation mg2+  
299 Ca2 Calcium diatomic ca2  
300 LiB Lithium boride lib  
301 LiAl Lithium Aluminum lial  
302 NaAl Sodium aluminum naal  
303 BeB Beryllium monoboride beb  
304 B2 Boron diatomic b2  
305 B2- Boron diatomic anion b2-  
306 B2+ Boron diatomic cation b2+  
307 BAl Boron Aluminum bal  
308 Al2 Aluminum diatomic al2  
309 Al2- aluminum diatomic anion al2-  
310 Al2+ aluminum diatomic cation al2+  
311 BGa Boron Gallium bga  
312 AlGa Aluminum Gallium alga  
313 Ga2 Gallium diatomic ga2  
314 HBBH Diborane(2) hbbh  
315 LiBH4 Lithium borohydride libh4  
316 B2H4 Diborane(4) D2d b2h4  
317 HBHHBH Diborane(4) C2V hbhhbh  
318 B2H6 Diborane b2h6  
319 B2H6+ Diborane cation b2h6  
320 Al2H6 dialane al2h6  
321 Ga2H6 digallane ga2h6  
322 LiC Lithium Carbide lic  
323 BeC Beryllium Carbide bec  
324 CaC Calcium monocarbide cac  
325 BC boron monocarbide bc  
326 BC- boron monocarbide anion bc-  
327 BC+ boron monocarbide cation bc+  
328 AlC Aluminum carbide alc  
329 BSi Boron silicide bsi  
330 C2 Carbon diatomic c2  
331 C2- carbon diatomic anion c2-  
332 C2+ carbon diatomic cation c2+  
333 SiC silicon monocarbide sic  
334 SiC- silicon monocarbide anion sic-  
335 SiC+ silicon monocarbide cation sic+  
336 Si2 Silicon diatomic si2  
337 Si2- silcon diatomic anion si2-  
338 Si2+ silcon diatomic cation si2+  
339 GeC Germanium monocarbide gec  
340 SiGe Silicon Germanium sige  
341 Ge2 Germanium diatomic ge2  
342 C2H Ethynyl radical c2h  
343 C2H- Ethynyl anion c2h-  
344 C2H+ Ethynyl cation c2h+  
345 ZnCH2 Zinc methylene znch2  
346 C2H2+ acetylene cation c2h2+  
347 CCH2 vinylidene vinylidene  
348 H2CC- vinylidene anion h2cc-  
349 HCCH- acetylene anion c2h2-  
350 Si2H2 disilyne si2h2  
351 CH3Li methyl lithium ch3li  
352 CuCH3 monomethyl copper cuch3  
353 ZnCH3 Zinc monomethyl znch3  
354 CH2BH methyleneborane ch2bh  
355 C2H3 vinyl c2h3  
356 C2H3- vinyl anion c2h3-  
357 C2H3+ vinyl cation c2h3+  
358 C2H4- Ethylene anion c2h4-  
359 C2H4+ Ethylene cation c2h4+  
360 CH3CH methylmethylene ch3ch  
361 CH2SiH2 silaethylene ch2sih2  
362 Si2H4 Disilene si2h4  
363 CH3BH2 methylborane ch3bh2  
364 C2H5 Ethyl radical c2h5  
365 C2H5- Ethyl anion c2h5-  
366 C2H5+ Ethyl cation c2h5+  
367 C2H6+ ethane cation c2h6+  
368 CH3SiH3 methyl silane ch3sih3  
369 Si2H6 disilane si2h6  
370 GeH3CH3 methyl germane geh3ch3  
371 C2H7+ Ethane, protonated c2h7+  
372 LiN Lithium Nitride lin  
373 LiN+ Lithium Nitride cation lin+  
374 LiP Lithium monophosphide lip  
375 BeN Beryllium mononitride ben  
376 BeN- Beryllium mononitride anion ben-  
377 BeN+ Beryllium mononitride cation ben+  
378 MgN Magnesium Nitride mgn  
379 BN- boron nitride anion bn-  
380 AlN- aluminum mononitride anion aln-  
381 AlN+ aluminum mononitride cation aln+  
382 BP Boron monophosphide bp  
383 AlP Aluminum monophosphide alp  
384 GaN Gallium mononitride gan  
385 GaP Gallium monophosphide gap  
386 GaAs Gallium arsenide gaas  
387 BN boron nitride bn  
388 BN+ boron nitride cation bn+  
389 AlN Aluminum nitride aln  
390 CN Cyano radical cn  
391 CN- cyanide anion cn-  
392 CN+ Cyano cation cn+  
393 CP Carbon monophosphide cp  
394 CP- carbon monophosphide anion cp-  
395 CP+ carbon monophosphide cation cp+  
396 SiN Silicon nitride sin  
397 SiN- silicon mononitride anion sin-  
398 SiN+ silicon mononitride cation sin+  
399 SiP Silicon monophosphide sip  
400 SiP- Silicon monophosphide anion sip-  
401 SiP+ Silicon monophosphide cation sip+  
402 TiN Titanium mononitride tin  
403 N2- nitrogen diatomic anion n2-  
404 N2+ diatomic nitrogen cation n2+  
405 PN Phosphorus mononitride pn  
406 PN- phosphorus nitride anion pn-  
407 PN+ phosphorus nitride cation pn+  
408 P2 Phosphorus diatomic p2  
409 P2- phosphorus diatomic anion p2-  
410 P2+ phosphorus diatomic cation p2+  
411 AsN Arsenic mononitride asn  
412 AsP Arsenic monophosphide asp  
413 SbN Antimony nitride sbn  
414 As2 Arsenic diatomic as2  
415 HNB hydrogen nitrogen boron hnb  
416 HNC hydrogen isocyanide hnc  
417 HCN Hydrogen cyanide hcn  
418 HCN- Hydrogen cyanide anion hcn-  
419 HCN+ hydrogen cyanide cation hcn+  
420 HNC+ hydrogen isocyanide cation hnc+  
421 HCP Phosphaethyne hcp  
422 HCP+ Phosphaethyne cation hcp+  
423 NNH Dinitrogen monohydride nnh  
424 NNH+ Dinitrogen monohydride cation nnh+  
425 HPO Hydrogen phosphorus oxide hpo  
426 HPO+ Hydrogen phosphorus oxide cation hpo+  
427 LiNH2 lithium amide linh2  
428 HBNH Boranimine hbnh  
429 CNH2 Aminomethylidyne radical cnh2  
430 CNH2+ N-protonated hydrogen isocyanide cnh2+  
431 H2CN Dihydrogen cyanide radical h2cn  
432 H2CN+ hydrocyanonium cation h2cn+  
433 HCNH methyleneazane hcnh  
434 HCNH+ N-protonated HCN hcnh+  
435 H2NN Isodiazene h2nn  
436 N2H2 (E)-diazene n2h2  
437 N2H2 (Z)-Diazene n2h2z  
438 N2H2+ trans-diazene cation n2h2+  
439 CH2NH Methanimine ch3n  
440 CH2NH+ Methanimine cation ch2nh+  
441 CHNH2 aminomethylene chnh2  
442 CHNH2+ Aminocarbene cation chnh2+  
443 CH2PH Phosphaethene ch3p  
444 BH2NH2 Boranamine bh2nh2  
445 CH2NH2+ methyleneamine cation ch2nh2+  
446 N2H4 Hydrazine n2h4  
447 N2H4+ hydrazine cation n2h4+  
448 P2H4 Diphosphine p2h4  
449 CH3NH2 methyl amine ch3nh2  
450 CH3NH2+ methyl amine cation ch3nh2+  
451 CH3PH2 Methyl phosphine ch3ph2  
452 SiH3NH2 Silane, amino sih3nh2  
453 N2H5+ protonated hydrazine n2h5+  
454 BH3PH3 borane phosphine bh3ph3  
455 BH3NH3 borane ammonia bh3nh3  
456 CH3NH3 methyl ammonium radical ch3nh3  
457 CH3NH3+ protonated methylamine ch3nh3+  
458 CH3PH3+ methyl phosphine, protonated ch3ph3+  
459 NH3NH3 Ammonia Dimer nh3nh3  
460 N2H7+ ammonia ammonium dimer n2h7+  
461 LiO lithium oxide lio  
462 LiO- lithium oxide anion lio-  
463 LiO+ lithium oxide cation lio+  
464 LiS Lithium monosulfide lis  
465 LiS+ Lithium sulfide cation lis+  
466 NaO sodium monoxide nao  
467 NaO- sodium oxide anion nao-  
468 NaO+ sodium oxide cation nao+  
469 KO Potassium monoxide ko  
470 KO+ Potassium monoxide cation ko+  
471 NaS Sodium sulfide nas  
472 CuO Copper Monoxide cuo  
473 LiSe Lithium monoselenide lise  
474 BeO beryllium oxide beo  
475 BeO- Beryllium monoxide anion beo-  
476 BeO+ Beryllium monoxide cation beo+  
477 BeS beryllium sulfide bes  
478 MgO magnesium oxide mgo  
479 MgO- magnesium oxide anion mgo-  
480 MgO+ magnesium oxide cation mgo+  
481 CaO Calcium monoxide cao  
482 MgS magnesium sulfide mgs  
483 MgS- magnesium sulfide anion mgs-  
484 MgS+ magnesium sulfide cation mgs+  
485 CaS Calcium sulfide cas  
486 ZnO zinc monoxide zno  
487 ZnS Zinc sulfide zns  
488 BeS- Beryllium monosulfide anion bes-  
489 BeS+ Beryllium monosulfide cation bes+  
490 BO boron monoxide bo  
491 BO- boron monoxide anion bo-  
492 AlO Aluminum monoxide alo  
493 AlO- Aluminum monoxide anion alo-  
494 AlO+ aluminum monoxide cation alo+  
495 BS boron sulfide bs  
496 BS- boron monosulfide anion bs-  
497 BS+ boron monosulfide cation bs+  
498 AlS Aluminum sulfide als  
499 AlS- aluminum monosulfide anion als-  
500 AlS+ aluminum monosulfide cation als+  
501 ScO Scandium monoxide sco  
502 GaO Gallium monoxide gao  
503 GaS Gallium monosulfide gas  
504 BO+ boron monoxide cation bo+  
505 CO- carbon monoxide anion co-  
506 CO+ carbon monoxide cation co+  
507 CS carbon monosulfide cs  
508 CS- carbon monosulfide anion cs-  
509 CS+ carbon monosulfide cation cs+  
510 SiO Silicon monoxide sio  
511 SiO- silicon monoxide anion sio-  
512 SiO+ silicon monoxide cation sio+  
513 SiS silicon monosulfide sis  
514 SiS- silicon monosulfide anion sis-  
515 SiS+ silicon monosulfide cation sis+  
516 TiO Titanium monoxide tio  
517 CSe Carbon monoselenide cse  
518 CSe- Carbon monoselenide anion cse-  
519 CSe+ Carbon monoselenide cation cse+  
520 GeO Germanium monoxide geo  
521 GeO+ Germanium monoxide cation geo+  
522 GeS Germanium monosulfide ges  
523 SiSe Silicon Monoselenide sise  
524 SiSe+ Silicon Monoselenide cation sise+  
525 GeSe Germanium monoselenide gese  
526 NO- nitric oxide anion no-  
527 NO+ nitric oxide cation no+  
528 NS Mononitrogen monosulfide ns  
529 NS- nitrogen sulfide anion ns-  
530 NS+ nitrogen sulfide cation ns+  
531 PO Phosphorus monoxide po  
532 PO- phosphorus monoxide anion po-  
533 PO+ phosphorus monoxide cation po+  
534 PS phosphorus sulfide ps  
535 PS- phosphorus monosulfide anion ps-  
536 PS+ phosphorus monosulfide cation ps+  
537 VO Vanadium monoxide vo  
538 AsO Arsenic monoxide aso  
539 NSe Nitrogen monoselenide nse  
540 AsS Arsenic monosulfide ass  
541 PSe Phosphorus monoselenide pse  
542 AsSe Arsenic monoselenide asse  
543 O2- oxygen diatomic anion o2-  
544 O2-- dioxygen dianion o2--  
545 O2+ diatomic oxygen cation o2+  
546 SO Sulfur monoxide so  
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 HBS hydrogen boron sulfide hbs  
571 COH Hydroxymethylidyne coh  
572 COH+ Carbon Monoxide, protonated coh+  
573 HCO Formyl radical hco  
574 HCO- formyl anion hco-  
575 HCO+ Formyl cation hco+  
576 HCS Thioformyl radical hcs  
577 HCS- Thioformyl anion hcs-  
578 HCS+ Thioformyl cation hcs+  
579 HNO Nitrosyl hydride hno  
580 HNO- Nitrosyl hydride anion hno-  
581 HNO+ Nitrosyl hydride cation hno+  
582 NOH Hydroxyimidogen noh  
583 NOH+ O-protonated nitric oxide noh+  
584 HNS Sulfur imide hns  
585 HNS- Sulfur imide anion hns-  
586 HO2 Hydroperoxy radical ho2  
587 HO2- Hydroperoxy anion ho2-  
588 HO2+ Hydroperoxy cation ho2+  
589 HSO+ Sulfur Monoxide, S-protonated HSO+  
590 SOH Sulfur Hydroxide soh  
591 SOH+ Sulfur Monoxide, protonated soh+  
592 HS2 Thiosulfeno radical hs2  
593 H2CO- formaldehyde anion h2co-  
594 H2CO+ formaldehyde cation h2co+  
595 HOCH hydroxycarbene hoch  
596 H2CS Thioformaldehyde h2cs  
597 H2CS- thioformaldehyde anion h2cs-  
598 H2CS+ thioformaldehyde cation h2cs+  
599 H2CSe Selenoformaldehyde h2cse  
600 H2NO nitroxide h2no  
601 H2O2 Hydrogen peroxide h2o2  
602 H2O2+ Hydrogen peroxide cation h2o2+  
603 H2OO water oxide h2oo  
604 HOSH hydrogen thioperoxide hosh  
605 H2S2 Disulfane h2s2  
606 H2S2+ hydrogen disulfide cation h2s2+  
607 H2Se2 hydrogen diselenide h2se2  
608 CH2OH Hydroxymethyl radical ch2oh  
609 CH2OH+ hydroxymethyl cation ch2oh+  
610 CH3O Methoxy radical ch3o  
611 CH3O- methoxy anion ch3o-  
612 CH3O+ Methoxy cation ch3o+  
613 CH3S thiomethoxy ch3s  
614 H2CSH+ Thioformaldehyde, protonated h2csh+  
615 NH2OH hydroxylamine nh2oh  
616 NH2OH+ Hydroxylamine cation nh2oh+  
617 NH3O Ammonia Oxide nh3o  
618 H2POH Phosphinous acid h2poh  
619 H3PO Phosphine oxide h3po  
620 NH2SH Thiohydroxylamine nh2sh  
621 NH3S sulfidoazane nh3s  
622 H3O2+ hydrogen peroxide, protonated h3o2+  
623 CH3OH Methyl alcohol ch3oh  
624 CH3OH- Methyl alcohol anion ch3oh-  
625 CH3OH+ Methyl alcohol cation ch3oh+  
626 CH3SH Methanethiol ch3sh  
627 CH3SH+ Methanethiol cation ch3sh+  
628 SiH3OH silanol sih3oh  
629 CH3SeH Methane selenol ch3seh  
630 NH2OH2+ protonated hydroxylamine nh2oh2+  
631 NH3OH+ N-protonated hydroxylamine nh3oh+  
632 H2OH2O water dimer h2oh2o  
633 CH3OH2+ Methanol, protonated ch3oh2+  
634 CH3SH2+ protonated methylsulfide ch3sh2+  
635 H2ONH3 Water Ammonia Dimer h2onh3  
636 H5O2+ Dihydroxonium ion h5o2+  
637 LiF lithium fluoride lif  
638 LiCl lithium chloride licl  
639 LiCl- lithium chloride anion licl-  
640 LiCl+ lithium chloride cation licl+  
641 NaF sodium fluoride naf  
642 NaF- sodium fluoride anion naf-  
643 NaF+ sodium fluoride cation naf+  
644 KF Potassium Fluoride kf  
645 NaCl Sodium Chloride nacl  
646 NaCl- sodium chloride anion nacl-  
647 NaCl+ sodium chloride cation nacl+  
648 KCl Potassium Chloride kcl  
649 CuF Copper monofluoride cuf  
650 LiBr Lithium Bromide libr  
651 LiBr- lithium bromide anion libr-  
652 LiBr+ lithium bromide cation libr+  
653 CuCl Copper monochloride cucl  
654 NaBr Sodium Bromide nabr  
655 NaBr- sodium bromide anion nabr-  
656 NaBr+ sodium bromide cation nabr+  
657 KBr Potassium Bromide kbr  
658 LiI Lithium Iodide lii  
659 NaI Sodium Iodide nai  
660 KI Potassium Iodide ki  
661 LiF- lithium fluoride anion lif-  
662 LiF+ lithium fluoride cation lif+  
663 BeF Beryllium monofluoride bef  
664 BeF- Beryllium monofluoride anion bef-  
665 BeF+ Beryllium monofluoride cation bef+  
666 BeCl beryllium monochloride becl  
667 MgF Magnesium monofluoride mgf  
668 MgF- magnesium fluoride anion mgf-  
669 MgF+ magnesium fluoride cation mgf+  
670 CaF Calcium monofluoride caf  
671 MgCl magnesium monochloride mgcl  
672 MgCl- magnesium monochloride anion mgcl-  
673 MgCl+ magnesium monochloride cation mgcl+  
674 CaCl calcium monochloride cacl  
675 TiCl Titanium Monochloride ticl  
676 ZnF Zinc monofluoride znf  
677 ZnF- Zinc monofluoride anion znf-  
678 ZnF+ Zinc monofluoride cation znf+  
679 ZnCl Zinc monochloride zncl  
680 CaBr Calcium monobromide cabr  
681 BeCl- beryllium monochloride anion becl-  
682 BeCl+ beryllium monochloride cation becl+  
683 BF- Boron monofluoride anion bf-  
684 BF+ Boron monofluoride cation bf+  
685 AlF Aluminum monofluoride alf  
686 AlF- Aluminum monofluoride anion alf-  
687 AlF+ Aluminum monofluoride cation alf+  
688 BCl boron monochloride bcl  
689 BCl- boron monochloride anion bcl-  
690 BCl+ boron monochloride cation bcl+  
691 AlCl Aluminum monochloride alcl  
692 AlCl- aluminum monochloride anion alcl-  
693 AlCl+ aluminum monochloride cation alcl+  
694 ScF Scandium monofluoride scf  
695 BBr Boron monobromide bbr  
696 GaF Gallium monofluoride gaf  
697 GaF+ Gallium monofluoride cation gaf+  
698 AlBr Aluminum monobromide albr  
699 GaCl Gallium monochloride gacl  
700 GaCl+ Gallium monochloride cation gacl+  
701 AlI Aluminum monoiodide ali  
702 GaBr Gallium monobromide gabr  
703 CF Fluoromethylidyne cf  
704 CF- carbon monofluoride anion cf-  
705 CF+ carbon monofluoride cation cf+  
706 CCl carbon monochloride ccl  
707 CCl- carbon monochloride anion ccl-  
708 CCl+ carbon monochloride cation ccl+  
709 SiF silicon monofluoride sif  
710 SiF- silicon monofluoride anion sif-  
711 SiF+ silicon monofluoride cation sif+  
712 SiCl Clorosilylidyne sicl  
713 SiCl- silicon monochloride anion sicl-  
714 SiCl+ silicon monochloride cation sicl+  
715 CBr Carbon monobromide cbr  
716 GeF Germanium monofluoride gef  
717 GeF+ Germanium monofluoride cation gef+  
718 GeCl Germanium monochloride gecl  
719 GeCl+ Germanium monochloride cation gecl+  
720 SiBr Silicon monobromide sibr  
721 SiBr+ Silicon monobromide cation sibr+  
722 NF nitrogen fluoride nf  
723 NF- nitrogen monofluorine anion nf-  
724 NF+ nitrogen monofluoirde cation nf+  
725 NCl nitrogen monochloride ncl  
726 NCl- nitrogen monochloride anion ncl-  
727 NCl+ nitrogen monochloride cation ncl+  
728 PF phosphorus monofluoride pf  
729 PF- phosphorus monofluoride anion pf-  
730 PF+ phosphorus monofluoride cation pf+  
731 PCl phosphorus chloride pcl  
732 PCl- phosphorus monochloride anion pcl-  
733 PCl+ phosphorus monochloride cation pcl+  
734 AsF Arsenic monofluoride asf  
735 NBr nitrogen monobromide nbr  
736 AsCl Arsenic monochloride ascl  
737 PBr Phosphorus monobromide pbr  
738 SbF Antimony monofluoride sbf  
739 SbCl Antimony monochloride sbcl  
740 FO Oxygen monofluoride fo  
741 FO- flourine oxide anion fo-  
742 FO+ fluorine monoxide cation fo+  
743 ClO Monochlorine monoxide clo  
744 ClO- chlorine monoxide anion clo-  
745 ClO+ chlorine monoxide cation clo+  
746 SF Monosulfur monofluoride sf  
747 SF- sulfur monofluoride anion sf-  
748 SF+ sulfur monofluoride cation sf+  
749 SCl sulfur monochloride scl  
750 SCl- sulfur monochloride anion scl-  
751 SCl+ sulfur monochloride cation scl+  
752 BrO Bromine monoxide bro  
753 BrO- Bromine monoxide anion bro-  
754 BrO+ Bromine monoxide cation bro+  
755 SeF Selenium monofluoride sef  
756 SBr Sulfur monobromide radical sbr  
757 SBr+ Sulfur monobromide cation sbr+  
758 SeCl Selenium monochloride secl  
759 IO Iodine monoxide io  
760 SeBr Selenium monobromide sebr  
761 BrCl Bromine monochloride brcl  
762 F2- flourine diatomic anion f2-  
763 F2+ flourine diatomic cation f2+  
764 ClF Chlorine monofluoride clf  
765 ClF- clorine monofluoride anion clf-  
766 ClF+ clorine monofluoride cation clf+  
767 Cl2 Chlorine diatomic cl2  
768 Cl2- chlorine diatomic anion cl2-  
769 Cl2+ chlorine diatomic cation cl2+  
770 BrF Bromine monofluoride brf  
771 BrF- bromine fluoride anion brf-  
772 BrF+ bromine fluoride cation brf+  
773 BrCl- bromine chloride anion brcl-  
774 BrCl+ bromine chloride cation brcl+  
775 IF Iodine monofluoride if  
776 Br2 Bromine diatomic br2  
777 Br2- bromine diatomic anion br2-  
778 Br2+ bromine diatomic cation br2+  
779 ICl Iodine monochloride icl  
780 IBr Iodine monobromide ibr  
781 I2 Iodine diatomic i2  
782 I2+ Iodine diatomic cation i2+  
783 HCF Fluoromethylene hcf  
784 HCCl Chloromethylene hccl  
785 HSiF fluorosilylene hsif  
786 HSiCl Chlorosilylene hsicl  
787 HSiBr monobromosilylene hsibr  
788 CHBr bromomethylene chbr  
789 HOF Hypofluorous acid hfo  
790 DOCl Hypochlorous acid-d docl  
791 HOCl hypochlorous acid hocl  
792 HOCl+ hypochlorous acid cation hocl+  
793 HOBr Hypobromous acid hobr  
794 HOBr+ Hypobromous acid cation hobr+  
795 HOI Hypoiodous acid hoi  
796 F2H+ Fluorine, protonated f2h+  
797 FHF Hydrogen difluoride fhf  
798 FHF- Hydrogen difluoride anion fhf-  
799 ClFH+ Chlorine fluoride, F-protonated clfh+  
800 FClH+ Chlorine fluoride, Cl-protonated fclh+  
801 Cl2H+ Chlorine, protonated cl2h+  
802 CH2Br bromomethyl radical ch2br  
803 CH2F fluoromethyl radical ch2f  
804 CH2F+ fluoromethyl cation ch2f+  
805 CH2Cl+ chloromethyl cation ch2cl+  
806 CH2Cl chloromethyl radical ch2cl  
807 NH2F monofluoroamine nh2f  
808 NH2Cl chloramine nh2cl  
809 H2F2 Hydrogen fluoride dimer h2f2  
810 CH3F+ methyl fluoride cation ch3f+  
811 CD3F methylfluoride-d3 cd3f  
812 CH3F Methyl fluoride ch3f  
813 CD3Cl methyl chloride d3 cd3cl  
814 CH3Cl Methyl chloride ch3cl  
815 CH3Cl+ Methyl chloride cation ch3cl+  
816 SiH3F monofluorosilane sih3f  
817 SiH3Cl chlorosilane sih3cl  
818 CH3Br methyl bromide ch3br  
819 GeH3F monofluorogermane geh3f  
820 GeH3Cl monochlorogermane geh3cl  
821 SiH3Br bromosilane sih3br  
822 CH3I methyl iodide ch3i  
823 SiH3I Silyl Iodide sih3i  
824 NH3Cl+ protonated monochloroammonia nh3cl+  
825 CH3ClH+ methyl chloride, protonated ch3clh+  
826 NH4Cl Ammonium chloride nh4cl  
827 LiNe+ Lithium Neon cation line+  
828 Ne2 Neon diatomic ne2  
829 Ne2+ Neon diatomic cation ne2+  
830 Ar2 Argon diatomic ar2  
831 Ar2+ Argon diatomic cation ar2+  
832 Li3 Lithium trimer li3  
833 Li3+ Lithium trimer cation li3+  
834 C3 carbon trimer c3  
835 C3+ carbon trimer cation c3+  
836 SiC2 Silicon dicarbide sic2  
837 C3H3 cyclopropenyl radical cpr  
838 C3H3 Propargyl radical propargyl  
839 C3H3- Propargyl anion c3h3-  
840 C3H3+ cyclopropenyl cation cpr+  
841 C3H3+ Propargyl cation c3h3+  
842 C3H4 cyclopropene cprop  
843 CH2CCH2 allene allene  
844 CH3CCH propyne propyne  
845 C3H5+ Allyl cation allyl+  
846 CH3CHCH 1-propenyl radical ch3chch  
847 Zn(CH3)2 dimethyl zinc dmz  
848 C3H7 n-Propyl radical npropyl  
849 C3H7+ cyclopropane, protonated c3h7+  
850 CH3CHCH3 Isopropyl radical isopropyl  
851 CH3CHCH3+ Isopropyl cation prop2yl+  
852 C3H8 Propane propane  
853 SiH2(CH3)2 dimethylsilane dms  
854 Si3H8 trisilane si3h8  
855 LiCN lithium cyanide licn  
856 NaCN Sodium Cyanide nacn  
857 KCN Potassium cyanide kcn  
858 CuCN Copper cyanide cucn  
859 ZnCN Zinc monocyanide zncn  
860 ZnNC Zinc isocyanide znnc  
861 AlCN Aluminum monocyanide alcn  
862 AlNC Aluminum isocyanide alnc  
863 CN2 3H-Diazirin-3-ylidene cn2  
864 CNN Diazocarbene cnn  
865 NCN Cyanoimidogen ncn  
866 N3 azide radical n3  
867 N3- azide anion n3-  
868 N3+ azide cation n3+  
869 HCCN cyanomethylene hccn  
870 HCNN diazomethyl radical hcnn  
871 HN3 hydrogen azide hn3  
872 HN3+ Hydrazoic acid cation hn3+  
873 HNCNH diiminomethane hncnh  
874 CH2N2 diazirine ch2n2  
875 CH2NN diazomethane ch2nn  
876 NH2CN cyanamide cyanamide  
877 HNNNH+ 1,2-Triazadienium n2h3+  
878 NH2NN+ hydrazoic acid, protonated nh2nn+  
879 CH3CN Acetonitrile ch3cn  
880 CH3CN- acetonitrile anion ch3cn-  
881 CH3CN+ Acetonitrile cation ch3cn+  
882 CH3NC methyl isocyanide ch3nc  
883 CHNCH2 2H-Azirine c157164  
884 CHNHCH 1H-Azirine chnhch  
885 H2CCNH Ethenimine ch2cnh  
886 H2CNCH methyleneaminomethylene ch2nch  
887 HCCNH2 Ethynamine hccnh2  
888 HCNCH2+ 2H-Azirine cation hcnch2+  
889 HNCNH2+ diiminomethane, protonated hncnh2+  
890 NCNH3+ Cyanamide, protonated ncnh3+  
891 NH2CNH+ cyanamide, cn protonated nh2cnh+  
892 NH3CN+ cyanamide, amine protonated nh3cn+  
893 CH2CHNH vinylazine ch2chnh  
894 CH3CHN methylmethaniminyl radical ch3chn  
895 NHCHNH2 aminomethanimine cn2h4  
896 C2H5N Aziridine c2h5n  
897 CH2CHNH2 aminoethene aminoethene  
898 CH2NCH3 N-methylmethanimine nmm  
899 CH3CHNH ethanimine ethanimine  
900 NH2BHNH2 diaminoborane nh2bhnh2  
901 C2H5NH+ Protonated Aziridine c2h5nh+  
902 C2H6N+ aziridine, protonated c2h6n+  
903 NH2CH2NH2 diaminomethane nh2ch2nh2  
904 CH3CH2NH2 Ethylamine etam  
905 CH3NHCH3 Dimethylamine ch3nhch3  
906 CH3PHCH3 dimethylphosphine ch3phch3  
907 NH2CH2NH3+ diaminoethane, protonated pdam  
908 (CH3)2NH2+ dimethylammonium cation dmam  
909 CH3CH2NH3+ ethylamine, protonated pea  
910 Li2O dilithium oxide li2o  
911 Li2O+ dilithium oxide cation li2o+  
912 Li2S dilithium sulfide li2s  
913 Na2O disodium monoxide na2o  
914 Na2S Sodium sulfide na2s  
915 LiO2 Lithium dioxide lio2  
916 NaO2 Sodium superoxide nao2  
917 CCO Dicarbon monoxide cco  
918 CNO- fulminate cno-  
919 NCO isocyanato radical nco  
920 NCO- cyanate nco-  
921 SCN thiocyanato radical scn  
922 SCN- thiocyanide anion scn-  
923 BO2 Boron dioxide bo2  
924 BO2- Boron dioxide anion bo2-  
925 BO2+ Boron dioxide cation bo2+  
926 N2O Nitrous oxide n2o  
927 N2O- Nitrous oxide anion n2o-  
928 N2O+ Nitrous oxide cation n2o+  
929 NNS Nitrogen sulfide nns  
930 PPO Phosphorus oxide phosphide ppo  
931 CO2- Carbon dioxide anion co2-  
932 CO2+ Carbon dioxide cation co2+  
933 OCS Carbonyl sulfide cos  
934 OCS+ Carbonyl sulfide cation cos+  
935 SiO2 silicon dioxide sio2  
936 CS2 Carbon disulfide cs2  
937 CS2- Carbon disulfide anion cs2-  
938 CS2+ Carbon disulfide cation cs2+  
939 TiO2 Titanium dioxide tio2  
940 SiS2 Silicon disulfide sis2  
941 GeO2 Germanium dioxide geo2  
942 OCSe Carbonyl selenide ocse  
943 SCSe Carbon sulfide selenide scse  
944 GeS2 Germanium disulfide ges2  
945 CSe2 Carbon diselenide cse2  
946 SCTe Carbon sulfide Telluride scte  
947 NO2 Nitrogen dioxide no2  
948 NO2- Nitrogen dioxide anion no2-  
949 NO2+ Nitrogen dioxide cation no2+  
950 NSO sulfinyl amidogen NSO  
951 PO2 Phosphorus dioxide po2  
952 PO2- Phosphorus dioxide anion po2-  
953 PO2+ Phosphorus dioxide cation po2+  
954 SNO Nitrogen oxide sulfide sno  
955 AsO2 Aresenic dioxide aso2  
956 O3 Ozone o3  
957 O3- Ozone anion o3-  
958 O3+ Ozone cation o3+  
959 SO2- Sulfur dioxide anion so2-  
960 SO2+ Sulfur dioxide cation so2+  
961 SSO Disulfur monoxide sso  
962 S3 Sulfur trimer s3  
963 S3- Sulfur trimer anion s3-  
964 S3+ Sulfur trimer cation s3+  
965 SeO2 Selenium dioxide seo2  
966 SeO2+ Selenium dioxide cation seo2+  
967 TeO2 Tellurium Dioxide teo2  
968 HCCO ketenyl radical ketenyl  
969 CS2H+ Carbon disulfide, protonated cs2h+  
970 HCNO fulminic acid hcno  
971 HNCO Isocyanic acid hnco  
972 HOCN cyanic acid hocn  
973 HNCS Isothiocyanic acid hncs  
974 HSCN thiocyanic acid hscn  
975 HCO2- formate anion hco2-  
976 HNNO nitrosoazane hnno  
977 HNNO+ Nitrous oxide, N-protonated hnno+  
978 NNOH+ Nitrous Oxide, O-protonated nnoh+  
979 HCOO formate neutral radical hcoo  
980 HOCO Hydrocarboxyl radical hoco  
981 HOCO+ Hydrocarboxyl cation hoco+  
982 HNO2 Nitrous acid hno2  
983 HNO2+ nitrous acid cation hno2+  
984 O3H+ protonated ozone o3h+  
985 SO2H+ protonated sulfur dioxide so2h+  
986 C2H2O Oxirene oxirene  
987 CH2CO Ketene ch2co  
988 CH2CO+ Ketene cation ch2co+  
989 HCCOH ethynol hccoh  
990 CH2CS Thioketene ch2cs  
991 Be(OH)2 Beryllium hydroxide beo2h2  
992 Mg(OH)2 Magnesium dihydroxide h2mgo2  
993 NH2NO Nitrosamide nh2no  
994 CH2O2 Dioxirane diox  
995 H2COO Dioxymethyl radical h2coo  
996 H2COO+ dioxymethyl cation h2coo+  
997 HCOOH Formic acid ch2o2  
998 H2O3 Hydrogen trioxide h2o3  
999 HSSSH trisulfane hsssh  
1000 NaOCH3 Sodium methoxide naoch3  
1001 CH2BOH hydroxy(methylene)borane ch2boh  
1002 BH3CO Borane carbonyl bh3co  
1003 CH3BO Borane, methyloxo- ch3bo  
1004 CH2CHO Vinyloxy radical ch2cho  
1005 CH2COH+ ketene, protonated ch2coh+  
1006 CH3CO Acetyl radical ch3co  
1007 CH3CO- Acetyl anion ch3co-  
1008 CH3CO+ acetyl cation ch3co+  
1009 CH2NOH formaldoxime ch2noh  
1010 CH3NO nitrosomethane ch3no  
1011 CHONH2 formamide formamide  
1012 CNOH3 1,2-oxaziridine cnoh3  
1013 HOCHNH hydroxymethylimine hochnh  
1014 CHSNH2 thioformamide chsnh2  
1015 NHCHSH Methanimidothioic acid nhchsh  
1016 CH2OOH CH2OOH radical ch2ooh  
1017 CH3OO methylperoxy radical ch3oo  
1018 CH3OO- methylperoxy anion ch3oo-  
1019 CH3OO+ methylperoxy cation ch3oo+  
1020 C2H4O Ethylene oxide c2h4o  
1021 C2H4O+ ethylene oxide cation c2h4o+  
1022 CH2CHOH ethenol ch2choh  
1023 CH3CHO Acetaldehyde ch3cho  
1024 CH3CHO+ acetaldehyde cation ch3cho+  
1025 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
1026 C2H4S Thiirane thiirane  
1027 CH2CHSH Ethenethiol ch2chsh  
1028 CH3CHS Thioacetaldehyde ch3chs  
1029 H2CONH2+ protonated formamide h2conh2+  
1030 NH2CHOH+ Formamide, O-protonated nh2choh+  
1031 NH3CHO+ Formamide, N-Protonated nh3cho+  
1032 CH2(OH)2 methanediol ch2o2h2  
1033 CH3OOH Methyl peroxide ch3ooh  
1034 CH3SSH Hydrogen methyl disulfide ch3ssh  
1035 HSCH2SH Methanedithiol ch4s2  
1036 H2OH2CO water formaldehyde dimer h2oh2co  
1037 C2H4OH+ ethylene oxide, protonated c2h4oh+  
1038 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1039 CH3CH2O Ethoxy radical ethoxy  
1040 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1041 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1042 CH3OCH2 methoxymethyl radical ch3och2  
1043 NH2CH2OH aminomethanol nh2ch2oh  
1044 CH3CH2OH Ethanol etoh  
1045 CH3OCH3 Dimethyl ether meome  
1046 CH3CH2SH ethanethiol etsh  
1047 CH3SCH3 Dimethyl sulfide mesme  
1048 CH3SCH3+ dimethyl sulfide cation mesme+  
1049 CH3SeCH3 dimethylselenide dmse  
1050 CH3OHH2O methanol water dimer ch3ohh2o  
1051 H2OCH3OH water methanol dimer h2och3oh  
1052 CuF2 Copper difluoride cuf2  
1053 ZnF2 Zinc difluoride znf2  
1054 CNF iso cyanogen fluoride cnf  
1055 FCN Cyanogen fluoride fcn  
1056 ClCN chlorocyanogen clcn  
1057 BrCN Cyanogen bromide brcn  
1058 ICN Cyanogen iodide icn  
1059 FBO Boron monofluoride monoxide fbo  
1060 BeF2 Beryllium fluoride bef2  
1061 MgF2 Magnesium fluoride mgf2  
1062 BeCl2 Beryllium chloride becl2  
1063 MgCl2 Magnesium dichloride mgcl2  
1064 CaCl2 Calcium Chloride cacl2  
1065 ZnCl2 Zinc dichloride zncl2  
1066 BeBr2 Beryllium bromide bebr2  
1067 CaBr2 Calcium dibromide cabr2  
1068 CaF2 Calcium difluoride caf2  
1069 FCO Carbonyl fluoride fco  
1070 FCO+ Carbonyl fluoride cation fco+  
1071 ClCO carbonyl monochloride clco  
1072 BF2 Boron difluoride radical bf2  
1073 FNO Nitrosyl fluoride fno  
1074 ClNO Nitrosyl chloride clno  
1075 FNS Thionitrosyl fluoride fns  
1076 FSN Thiazyl fluoride fsn  
1077 OPCl Phosphorus oxychloride opcl  
1078 BrNO Nitrosyl bromide brno  
1079 INO Nitrosyl iodide ino  
1080 CF2 Difluoromethylene cf2  
1081 CF2- Difluoromethylene anion cf2-  
1082 CF2+ Difluoromethylene cation cf2+  
1083 CFCl chlorofluoromethylene cfcl  
1084 SiF2 Silicon difluoride sif2  
1085 SiF2+ Silicon difluoride cation sif2+  
1086 CCl2 dichloromethylene ccl2  
1087 CCl2- dichloromethylene anion ccl2-  
1088 CCl2+ dichloromethylene cation ccl2+  
1089 SiCl2 Dichlorosilylene sicl2  
1090 GeF2 Germanium difluoride gef2  
1091 GeCl2 Germanium dichloride gecl2  
1092 CBr2 dibromomethylene cbr2  
1093 FOO Dioxygen monofluoride radical foo  
1094 FOO+ Fluorine dioxide cation foo+  
1095 ClOO chloroperoxy radical cloo  
1096 ClOO+ chloroperoxy cation cloo+  
1097 OClO Chlorine dioxide oclo  
1098 OClO- Chlorine dioxide anion oclo-  
1099 OClO+ Chlorine dioxide cation oclo+  
1100 ClSO Sulfur chloride oxide clso  
1101 ClS2 Sulfur chloride cls2  
1102 BrOO Bromine dioxide broo  
1103 OBrO Bromine dioxide radical obro  
1104 NF2 Difluoroamino radical nf2  
1105 NF2+ Difluoroamino cation nf2+  
1106 PF2 Phosphorus difluoride pf2  
1107 PF2+ Phosphorus difluoride cation pf2+  
1108 FClO chlorosyl fluoride fclo  
1109 F2O Difluorine monoxide f2o  
1110 ClOF Chlorine hypofluorite clof  
1111 SF2 sulfur difluoride sf2  
1112 SF2- sulfur difluoride anion sf2-  
1113 SF2+ sulfur difluoride cation sf2+  
1114 Cl2O Dichlorine monoxide cl2o  
1115 SCl2 Sulfur dichloride scl2  
1116 SeF2 Selenium difluoride sef2  
1117 BrOCl Bromine hypochlorite brocl  
1118 SeCl2 Selenium Dichloride secl2  
1119 SBr2 Sulfur dibromide sbr2  
1120 SeBr2 Selenium dibromide sebr2  
1121 BrOBr Bromine oxide brobr  
1122 F3- trifluoride anion f3-  
1123 Cl3- trichloride anion cl3-  
1124 Br3- tribromide anion br3-  
1125 I3- triiodide i3-  
1126 SFCl Sulfur chloride fluoride sfcl  
1127 HCCF Fluoroacetylene hccf  
1128 HCCF+ fluoroacetylene cation hccf+  
1129 HCCCl Chloroacetylene hcccl  
1130 HCCBr bromoacetylene hccbr  
1131 HFCO formyl fluoride hfco  
1132 HFCO+ formyl fluoride cation hfco+  
1133 COHCl Formyl chloride cohcl  
1134 COHBr Formyl bromide cohbr  
1135 BHF2 Difluoroborane bhf2  
1136 BHCl2 Borane, dichloro- bhcl2  
1137 CHCl2 dichloromethyl radical chcl2  
1138 CHF2 difluoromethyl radical chf2  
1139 CHF2+ difluoromethyl cation chf2+  
1140 CHFCl Chlorofluoromethyl radical chfcl  
1141 CHFCl+ Chlorofluoromethyl cation chfcl+  
1142 CHCl2+ dichloromethyl cation chcl2+  
1143 CHBr2 dibromomethyl radical chbr2  
1144 HOClO Chlorous acid hoclo  
1145 NHF2 difluoramine nhf2  
1146 NHCl2 dichloroamine nhcl2  
1147 CH2F2 Methane, difluoro- ch2f2  
1148 CH2FCl fluorochloromethane ch2fcl  
1149 SiH2F2 difluorosilane sih2f2  
1150 CH2Cl2 Methylene chloride ch2cl2  
1151 CH2BrF Methane, bromofluoro- ch2fbr  
1152 CH2BrCl Methane, bromochloro- ch2clbr  
1153 CH2FI fluoroiodomethane ch2fi  
1154 CH2Br2 dibromomethane ch2br2  
1155 CH2ClI chloroiodomethane ch2cli  
1156 CH2BrI bromoiodomethane ch2bri  
1157 CH2I2 Diiodomethane ch2i2  
1158 SiH2Cl2 dichlorosilane sih2cl2  
1159 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1160 CH2CHF Ethene, fluoro- ch2chf  
1161 CH2CHF+ fluoroethene cation ch2chf+  
1162 C2H3Cl Ethene, chloro- ch2chcl  
1163 C2H3Br vinyl bromide c2h3br  
1164 C2H3I Vinyl iodide c2h3i  
1165 CH2FOH fluoromethanol ch2foh  
1166 CH3OCl methyl hypochlorite ch3ocl  
1167 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1168 CHClCH3 1-chloroethyl radical chclch3  
1169 C2H5F fluoroethane c2h5f  
1170 CH3CH2Cl Ethyl chloride c2h5cl  
1171 CH3SiFH2 fluoromethylsilane ch3sifh2  
1172 C2H5Br Ethyl bromide etbr  
1173 C2H5I Ethyl iodide c2h5i  
1174 KrF2 Krypton difluoride krf2  
1175 XeF2 Xenon difluoride xef2  
1176 B4H10 Tetraborane(10) b4h10  
1177 C4 Carbon tetramer c4  
1178 C4+ Carbon tetramer cation c4+  
1179 C4H2 Diacetylene c4h2  
1180 C4H2+ diacetlyene cation c4h2+  
1181 C2H3CCH 1-Buten-3-yne c2h3cch  
1182 C4H4 cyclobutadiene cbd  
1183 C4H4 Tetrahedrane c4h4  
1184 H2CCCCH2 Butatriene h2cccch2  
1185 C4H6 1-Methylcyclopropene c3100047  
1186 C4H6 Cyclobutene c822355  
1187 C4H6 Methylenecyclopropane c6142730  
1188 CH2CCHCH3 1,2-Butadiene butad12  
1189 CH2CHCHCH2 1,3-Butadiene c106990  
1190 CH3CCCH3 2-Butyne c503173  
1191 CHCCH2CH3 1-Butyne c107006  
1192 CH3CHCHCH2 methylallyl radical c4h7  
1193 C4H8 methylcyclopropane mcp  
1194 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1195 CH2CHCH2CH3 1-Butene bute1  
1196 CH3CHCHCH3 2-Butene, (E)- bute2e  
1197 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1198 B(CH3)3 trimethylborane bme3  
1199 Al(CH3)3 trimethyl aluminum tma  
1200 C(CH3)3 Tert-butyl radical tbutyl  
1201 CH2CH(CH3)2 Isobutyl radical isobutyl  
1202 CH3CHCH2CH3 2-Butyl radical butyl2  
1203 CH3CH(CH3)CH3 Isobutane isobutane  
1204 CH3CH2CH2CH3 Butane butane  
1205 SiH(CH3)3 trimethylsilane trimsi  
1206 Li3N trilithium nitride li3n  
1207 C2N2 Cyanogen c2n2  
1208 C2N2+ Cyanogen cation c2n2+  
1209 P4 Phosphorus tetramer p4  
1210 As4 Arsenic tetramer as4  
1211 HCCCN Cyanoacetylene hcccn  
1212 HCCCN+ Cyanoacetylene cation hcccn+  
1213 H2CNCN cyanamide, methylene ch2ncn  
1214 HNCCNH Ethenediimine hnccnh  
1215 C3H3N acrylonitrile ch2chcn  
1216 C3H3N+ acrylonitrile cation ch2chcn+  
1217 CH3N3 methyl azide ch3n3  
1218 NH2CCNH2 Diaminoacetylene daa  
1219 NH2CH2CN Aminoacetonitrile aan  
1220 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1221 C2H5CN ethyl cyanide c2h5cn  
1222 CH5N3 Guanidine guanidine  
1223 C4H6 Bicyclo[1.1.0]butane c157335  
1224 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1225 H2NCHCHNH2 diaminoethylene dae  
1226 CH6N3+ guanidinium ch6n3+  
1227 C3H7N Cyclopropylamine cpram  
1228 CH7N3 triaminomethane tam  
1229 C3H7N Azetidine azet  
1230 C4H8 cyclobutane cbutane  
1231 C2H8N2 Ethylenediamine ethdiam  
1232 CH3NHNHCH3 dimethyl hydrazine dmh  
1233 CH3CH(NH2)CH3 2-Propanamine pram2  
1234 N(CH3)3 Trimethylamine trimeam  
1235 NH2CH2CH2CH3 1-Propanamine pram1  
1236 P(CH3)3 trimethylphosphine tmp  
1237 N(SiH3)3 trisilylamine tsa  
1238 As(CH3)3 trimethyl arsine tmas  
1239 (CH3)3NH+ protonated trimethyl amine ptma  
1240 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1241 Li2O2 dilithium dioxide li2o2  
1242 Na2O2 disodium dioxide na2o2  
1243 K2O2 dipotassium dioxide k2o2  
1244 C3O Tricarbon monoxide c3o  
1245 B2O2 Diboron dioxide b2o2  
1246 ONNO NO dimer onno  
1247 S2N2 Disulfur dinitride s2n2  
1248 CO3 Carbon trioxide co3  
1249 CO3-- carbonate co3--  
1250 CS3-- Carbonotrithioate cs3--  
1251 NO3 Nitrogen trioxide no3  
1252 NO3- nitrate anion no3-  
1253 NO3+ nitrogen trioxide cation no3+  
1254 SO3 Sulfur trioxide so3  
1255 SO3- Sulfur trioxide anion so3-  
1256 SO3-- Sulfate dianion so3--  
1257 SO3+ Sulfur trioxide cation so3+  
1258 SeO3 selenium trioxide seo3  
1259 S4 Sulfur tetramer s4  
1260 TeO3 Tellurium trioxide teo3  
1261 HCO3- bicarbonate anion hco3-  
1262 HNO3 Nitric acid hno3  
1263 HSO3 Hydroxysulfonyl radical hso3  
1264 NH2NO2 nitramide nh2no2  
1265 C2H2CO cyclopropenone c2h2co  
1266 C3H2O Propadienal c3h2o  
1267 HCCCHO 2-propynal hcccho  
1268 C2H2O2 Ethanedial c2h2o2  
1269 C2H2O2+ Ethanedial cation c2h2o2+  
1270 H2CO3 Carbonic acid h2co3  
1271 H2CS3 thiocarbonic acid h2cs3  
1272 H2NO3+ Nitric Acid, Protonated h2no3+  
1273 H2SO3 Sulfurous acid h2so3  
1274 C2H3NO Nitrosoethylene c2h3no  
1275 CH3NCO methylisocyante ch3nco  
1276 HOCH2CN cyanomethanol hoch2cn  
1277 CH3COO- acetate anion ch3coo-  
1278 CH3NO2 Methane, nitro- ch3no2  
1279 CH3ONO Methyl nitrite ch3ono  
1280 NH2COOH Carbamic acid nh2cooh  
1281 H3BO3 Boric acid h3bo3  
1282 H3AlO3 Aluminum hydroxide h3alo3  
1283 H3CO3+ carbonic acid, protonated h3co3+  
1284 C3H4O 2-Propyn-1-ol c107197  
1285 C3H4O allenol c9000071  
1286 C3H4O Cyclopropanone cpone  
1287 C3H4O Methylketene c6004440  
1288 CH2CHCHO Acrolein c3h4o  
1289 NH2CONH2 Urea urea  
1290 NH2CONH2+ Urea cation urea+  
1291 NH2CSNH2 Thiourea thiourea  
1292 C2H4O2 1,3-dioxetane c2h4o2  
1293 CH3COOH Acetic acid ch3cooh  
1294 CH3OCHO methyl formate ch3ocho  
1295 CHOCH2OH hydroxy acetaldehyde haa  
1296 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1297 NH3COOH+ protonated Carbamic acid nh3cooh+  
1298 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1299 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1300 HCOOHH2O Formic acid water dimer hcoohh2o  
1301 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1302 CH3COCH2 Acetonyl radical ch3coch2  
1303 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1304 CH3C(OH)=NH Ethaninidic acid eia  
1305 CH3CHNOH Acetaldoxime acetaldoxime  
1306 CH3CONH2 Acetamide acetamide  
1307 HCONHCH3 N-methylformamide nmfa  
1308 CH3CSNH2 Ethanethioamide ch3csnh2  
1309 CH5N2O+ urea, N-protonated ch4n2o+  
1310 H2NCOHNH2+ urea, protonated ureah+  
1311 C2H5OO ethylperoxy radical c2h5oo  
1312 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1313 C3H5OH Cyclopropanol cproh  
1314 C3H6O 2-Propen-1-ol c107186  
1315 C3H6O Acetone enol enol  
1316 C3H6O Oxetane oxetane  
1317 C3H6O Propylene oxide prox  
1318 CH3CH2CHO Propanal propanal  
1319 CH3COCH3 Acetone acetone  
1320 CH3COCH3- acetone anion ch3coch3-  
1321 C3H6S Thietane thietane  
1322 C3H6S Thiirane, methyl- methiirane  
1323 CH3CSCH3 Thioacetone ch3csch3  
1324 C2H6O2 1,2-Ethanediol ethdiol  
1325 CH3OOCH3 dimethylperoxide dmp  
1326 CH3SOCH3 Dimethyl sulfoxide dmso  
1327 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1328 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1329 CH3COHCH3+ acetone, protonated acetoneh+  
1330 HOCH2CH2NH2 monoethanolamine mea  
1331 C3H7OH 1-Propanol proh  
1332 CH3CHOHCH3 Isopropyl alcohol isoproh  
1333 CH3OC2H5 Ethane, methoxy- etome  
1334 C3H7SH 1-Propanethiol prsh  
1335 CH3CHSHCH3 2-Propanethiol isoprsh  
1336 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1337 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1338 Li2F2 Lithium fluoride dimer li2f2  
1339 Na2F2 Sodium Fluoride Dimer na2f2  
1340 Na2Cl2 Disodium dichloride na2cl2  
1341 C2F2 difluoroacetylene c2f2  
1342 C2Cl2 dichloroacetylene c2cl2  
1343 C2Cl2+ dichloroacetylene cation c2cl2+  
1344 FNO2 Nitryl fluoride fno2  
1345 FONO Nitrosyl hypofluorite fono  
1346 ClNO2 Nitryl chloride clno2  
1347 ClONO chlorine nitrite clono  
1348 BrONO Bromine nitrite brono  
1349 N2F2 (Z)-Difluorodiazene n2f2_z  
1350 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1351 CF2O Carbonic difluoride f2co  
1352 CF2O+ Carbonic difluoride cation f2co+  
1353 COFCl Carbonic chloride fluoride cofcl  
1354 CCl2O Phosgene cl2co  
1355 Cl2CS Thiophosgene cl2cs  
1356 COBr2 Carbonic dibromide cobr2  
1357 BF3- Borane, trifluoro- anion bf3-  
1358 BF3+ boron trifluoride cation bf3+  
1359 BClF2 Chlorodifluoroborane bclf2  
1360 AlF2Cl Aluminum chloride difluoride alclf2  
1361 ScF3 Scandium trifluoride ScF3  
1362 AlFCl2 Aluminum dichloride fluoride alcl2f  
1363 BCl3 Borane, trichloro- bcl3  
1364 BCl3+ Boron Trichloride cation bcl3+  
1365 GaF3 Gallium trifluoride gaf3  
1366 AlCl3 Aluminum trichloride alcl3  
1367 GaCl3 Gallium trichloride gacl3  
1368 BBr3 Boron tribromide bbr3  
1369 AlBr3 Aluminum Bromide albr3  
1370 ClO3 Chlorine trioxide clo3  
1371 ClO3- chlorate anion clo3-  
1372 BrO3- Bromate anion bro3-  
1373 CF3 Trifluoromethyl radical cf3  
1374 CF3- Trifluoromethyl anion cf3-  
1375 CF3+ Trifluoromethyl cation cf3+  
1376 CF2Cl difluorochloromethyl radical cf2cl  
1377 SiF3 Silicon trifluoride radical sif3  
1378 SiF3+ Silicon trifluoride cation sif3+  
1379 CFCl2 dichlorofluoromethyl radical cfcl2  
1380 CCl3 Trichloromethyl radical ccl3  
1381 CCl3- Trichloromethyl anion ccl3-  
1382 CCl3+ Trichloromethyl cation ccl3+  
1383 SiCl3 trichlorosilyl radical sicl3  
1384 SiCl3+ trichlorosilyl cation sicl3+  
1385 CBr3 tribromomethyl radical cbr3  
1386 FOOF Perfluoroperoxide foof  
1387 ClO2F Chloryl fluoride clo2f  
1388 F2SO Thionyl Fluoride f2so  
1389 ClOOCl Dichlorine dioxide cloocl  
1390 FSSF Difluorodisulfane fssf  
1391 S2F2 Thio-thionyl fluoride s2f2  
1392 SOCl2 thionyl chloride socl2  
1393 SSCl2 Thiothionyl chloride sscl2  
1394 SeOCl2 selenium oxychloride seocl2  
1395 NF3 Nitrogen trifluoride nf3  
1396 NF3- Nitrogen trifluoride anion nf3-  
1397 NF3+ Nitrogen trifluoride cation nf3+  
1398 PF3 Phosphorus trifluoride pf3  
1399 NCl3 nitrogen trichloride ncl3  
1400 AsF3 Arsenic trifluoride asf3  
1401 PCl3 Phosphorus trichloride pcl3  
1402 SbF3 Antimony Trifluoride sbf3  
1403 AsCl3 Arsenous trichloride ascl3  
1404 SbCl3 Antimony Trichloride sbcl3  
1405 NBr3 Nitrogen Tribromide nbr3  
1406 PBr3 Phosphorus tribromide pbr3  
1407 AsBr3 Arsenic tribromide asbr3  
1408 NI3 Nitrogen triiodide ni3  
1409 PI3 Phosphorus triiodide pi3  
1410 ClSSCl Disulfur dichloride s2cl2  
1411 SF3 Sulfur trifluoride sf3  
1412 ClF3 Chlorine trifluoride clf3  
1413 BrF3 Bromine trifluoride brf3  
1414 IF3 iodone trifluoride if3  
1415 HClO3 Chloric Acid hclo3  
1416 CHF3 Methane, trifluoro- chf3  
1417 CHF2Cl difluorochloromethane chf2cl  
1418 SiHF3 trifluorosilane sihf3  
1419 CHFCl2 fluorodichloromethane chfcl2  
1420 CDCl3 trichloromethane-d cdcl3  
1421 CHCl3 Chloroform chcl3  
1422 CHBrF2 Methane, bromodifluoro- chbrf2  
1423 SiHCl3 Trichlorosilane sihcl3  
1424 CHFClBr fluorochlorobromomethane chfclbr  
1425 CHBrCl2 Methane, bromodichloro- chbrcl2  
1426 CHF2I difluoroiodomethane chf2i  
1427 CHBr2F dibromofluoromethane chbr2f  
1428 CHFClI fluorochloroiodomethane chfcli  
1429 CHCl2I dichloroiodomethane chcl2i  
1430 CHClBr2 Methane, dibromochloro- chclbr2  
1431 CHBr3 bromoform chbr3  
1432 CHI3 Iodoform chi3  
1433 NF3H+ protonated nitrogen trifluoride nf3h+  
1434 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1435 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1436 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1437 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1438 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1439 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1440 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1441 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1442 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1443 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1444 C2H2Br2 1,1-dibromoethene c2h2br2  
1445 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1446 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1447 CH2FCHO Fluoroacetaldehyde ch2fcho  
1448 CH3COF Acetyl fluoride ch3cof  
1449 CH2ClCHO chloroacetaldehyde ch2clcho  
1450 CH3COCl Acetyl Chloride ch3cocl  
1451 C2H4F2 1,2-difluoroethane c2h4f2  
1452 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1453 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1454 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1455 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1456 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1457 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1458 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1459 CH2CFCH3 2-fluoropropene 2fpro  
1460 CH2CHCH2F Allyl Fluoride allylf  
1461 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1462 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1463 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1464 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1465 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1466 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1467 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1468 CH2FCH2CH3 1-Fluoropropane prf1  
1469 CH3CHFCH3 2-Fluoropropane prf2  
1470 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1471 CH3CHClCH3 Propane, 2-chloro- prcl2  
1472 CH3CH2CH2Br n-propyl bromide prbr  
1473 CH3CHBrCH3 i-propyl bromide iprbr  
1474 C3H9O+ trimethyl oxonium cation c3h9o+  
1475 B5H9 pentaborane9 b5h9  
1476 C5H4 pentatetraene ptrene  
1477 C5H5 cyclopentadienyl radical c5h5  
1478 C5H5- cylopentadienyl anion c5h5-  
1479 C5H6 1,3-Cyclopentadiene c542927  
1480 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1481 C5H6 3-Penten-1-yne, (E)- c2004695  
1482 C5H6 3-Penten-1-yne, (Z)- c1574409  
1483 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1484 C5H6 Cyclopropylacetylene c6746947  
1485 C5H6 Propellane propellane  
1486 C5H7 1,3-pentadienyl radical pdyl  
1487 C5H7 cyclopentenyl radical cpyl  
1488 C5H8 1,2-Butadiene, 3-methyl- c598254  
1489 C5H8 1,2-Pentadiene c591957  
1490 C5H8 1,3-Butadiene, 2-methyl- c78795  
1491 C5H8 1,3-Pentadiene, (E)- c2004708  
1492 C5H8 1,3-Pentadiene, (Z)- c1574410  
1493 C5H8 1,4-Pentadiene c591935  
1494 C5H8 1-pentyne a1pentyne  
1495 C5H8 2,3-Pentadiene c591968  
1496 C5H8 Bicyclo[1.1.1]pentane bcp  
1497 C5H8 Cyclobutane, methylene- c1120565  
1498 C5H8 Cyclopentene c142290  
1499 C5H8 Ethenylcyclopropane c693867  
1500 CH3CCCH2CH3 2-Pentyne 2pentyne  
1501 C5H10 1-Butene, 2-methyl- c563462  
1502 C5H10 2-Butene, 2-methyl- c513359  
1503 C5H10 2-Pentene, (E)- c646048  
1504 C5H10 2-Pentene, (Z)- c627203  
1505 C5H10 Cyclopentane c287923  
1506 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1507 CH2CHCH2CH2CH3 1-pentene pentene  
1508 C5H11 2-Methylbut-2-yl radical c4348350  
1509 C5H12 Butane, 2-methyl- buta2  
1510 C5H12 Pentane pentane  
1511 C5H12 Propane, 2,2-dimethyl- neopentane  
1512 Si(CH3)4 tetramethylsilane tms  
1513 N2O3 Dinitrogen trioxide n2o3  
1514 C3H2N2 Malononitrile c3h2n2  
1515 CH2N4 1H-Tetrazole 1htz  
1516 C3H3N2 imidazolyl radical im  
1517 C3H3N2- imidizolyl anion im-  
1518 C2H3N3 1H-1,2,4-Triazole c288880  
1519 C4H4N pyrrolide radical c4h4n  
1520 C4H4N- pyrrolide anion c4h4n-  
1521 C3H4N2 1H-Imidazole 1himidaz  
1522 C3H4N2 1H-Pyrazole 1hpyraz  
1523 C3H4N2 2H-Imidazole imid2h  
1524 C3H4N2 4H-Imidazole imid4h  
1525 C4H5N (E)-2-Butenenitrile c627269  
1526 C4H5N (Z)-2-Butenenitrile c1190767  
1527 C4H5N 2H-pyrrole pyrrole2  
1528 C4H5N 3H-pyrrole pyrrole3  
1529 C4H5N Cyclopropanecarbonitrile c5500210  
1530 C4H5N Pyrrole pyrrole  
1531 CH2CHCH2CN Allylcyanide ch2chch2cn  
1532 C4H6N+ pyrrole, alpha-protonated appyr  
1533 C4H6N+ pyrrole, beta-protonated bppyr  
1534 C4H6N+ pyrrole, protonated ppyr  
1535 C3H6N2 3-Aminopropionitrile c151188  
1536 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1537 CH3CH2CH2CN Butanenitrile c109740  
1538 C5H8 Bicyclo[2.1.0]pentane c185944  
1539 C5H8 Spiropentane c157404  
1540 C4H9N Cyclobutylamine cbam  
1541 C4H9N Pyrrolidine pyrrolidine  
1542 C3H10N2 1,2-Diaminopropane diampr12  
1543 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1544 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1545 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1546 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1547 NH(C2H5)2 diethylamine dea  
1548 NC4H12+ tetramethyl ammonium cation nc4h12+  
1549 C3O2 Carbon suboxide c3o2  
1550 C3O2+ Carbon suboxide cation c3o2+  
1551 B2O3 diboron trioxide b2o3  
1552 MgCO3 Magnesium Carbonate mgco3  
1553 BeCO3 Beryllium Carbonate beco3  
1554 CaCO3 Calcium Carbonate caco3  
1555 ONONO Nitrosyl nitrite onono  
1556 PO4--- phosphate po4---  
1557 SO4-- sulfate so4--  
1558 HOONO2 peroxy nitric acid hoono2  
1559 HSO4- bisulfate anion hso4-  
1560 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1561 C3H2O2 Propiolic acid c3h2o2  
1562 CHOCOOH oxo acetic acid oaa  
1563 CHOOCHO diformyl ether choocho  
1564 H2SO4 Sulfuric acid h2so4  
1565 H2SeO4 Selenic acid h2seo4  
1566 C3H3NO Isoxazole isox  
1567 C3H3NO Oxazole oxazole  
1568 C3H3NS Thiazole thiazole  
1569 CH3C(O)OO acetyl peroxy radical ch3coo2  
1570 CH3NO3 Methyl nitrate ch3no3  
1571 H3PO4 Phosphoric Acid h3po4  
1572 C4H4O Furan furan  
1573 C4H4O+ Furan cation furan+  
1574 CH3COCCH 3-butyn-2-one c1423605  
1575 C4H4S Thiophene furans  
1576 C4H4Se selenophene c4h4se  
1577 C3H4O2 β–Propiolactone beta  
1578 C3H4O2 2-Propenoic acid propenoic2  
1579 C3H4O2 Methyl glyoxal megly  
1580 C3H4O2 propanedial propanedial  
1581 C3H4O2 propenalol propenalol  
1582 HOCHCCHOH allenediol aldiol  
1583 C2H4O3 1,2,3-trioxolane c2h4o3  
1584 C2H4O3 trioxolane124 triox  
1585 HOCH2COOH Hydroxyacetic acid hac  
1586 CH2CHCONH2 Acrylamide c79061  
1587 CH3OCH2CN Methoxyacetonitrile c1738369  
1588 CH5N3S Hydrazinecarbothioamide c79196  
1589 H2NCH2COOH Glycine glycine  
1590 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1591 C4H6O cis-2-butenal butenal2c  
1592 C4H6O Cyclobutanone cbutone  
1593 C4H6O Furan, 2,3-dihydro- furan23h  
1594 C4H6O Furan, 2,5-dihydro- furan25h  
1595 CH2CHOCHCH2 Vinyl ether vinylether  
1596 CHOCHCHCH3 2-Butenal butenal2  
1597 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1598 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1599 CH2CHSCHCH2 Divinyl sulfide divis  
1600 C2H6N2O Urea, methyl- c598505  
1601 C3H6O2 1,3-Dioxolane dioxolane  
1602 CH3CH2COOH Propanoic Acid propanoic  
1603 CH3COOCH3 methyl acetate aame  
1604 HCOOC2H5 Ethyl formate faee  
1605 C2H6O2S Dimethyl sulfone c67710  
1606 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1607 C3H7NO dimethylformamide dmf  
1608 C3H7NO Propanamide propanam  
1609 C2H3OC2H5 Ethene, ethoxy- c109922  
1610 C4H8O Cyclobutanol c2919235  
1611 C4H8O Furan, tetrahydro- thf  
1612 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1613 CH3COCH2CH3 2-Butanone buta2one  
1614 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1615 CHOCH2CH2CH3 Butanal butanal  
1616 C4H8S Thiophene, tetrahydro- tht  
1617 C3H8O2 1,3-Propanediol c504632  
1618 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1619 C3H8O2 Methane, dimethoxy- c109875  
1620 C3H8O2 Propylene glycol c57556  
1621 C3H8S2 1,3-Propanedithiol c109808  
1622 C4H10O 1-Butanol butanol1  
1623 C4H10O 1-Propanol, 2-methyl- c78831  
1624 C4H10O 2-Butanol, (.+/-.)- butanol2  
1625 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1626 C4H10O Ethoxy ethane etoet  
1627 C4H10O Methyl propyl ether meopr  
1628 C4H10O Propane, 2-methoxy- c598538  
1629 C4H10O+ 1-Butanol cation butanol1+  
1630 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1631 C2H5SC2H5 Diethyl sulfide etset  
1632 C4H9SH 1-Butanethiol bush  
1633 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1634 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1635 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1636 FNO3 Fluorine nitrate fno3  
1637 ClONO2 Chlorine nitrate clono2  
1638 BrONO2 Bromine nitrate brono2  
1639 TiCl4 Titanium tetrachloride ticl4  
1640 ClO4- perchlorate anion clo4-  
1641 BF4- tetrafluoroboron anion bf4-  
1642 ClFO3 Perchloryl fluoride clfo3  
1643 SO2F2 Sulfuryl fluoride so2f2  
1644 SO2Cl2 Sulfuryl chloride so2cl2  
1645 F3NO Nitrogen trifluoride oxide f3no  
1646 F3PO Phosphoryl fluoride pf3o  
1647 Cl3PO Phosphoryl chloride pcl3o  
1648 CF4 Carbon tetrafluoride cf4  
1649 CF3Cl Methane, chlorotrifluoro- cf3cl  
1650 SiF4 Silicon tetrafluoride sif4  
1651 CF2Cl2 difluorodichloromethane cf2cl2  
1652 TiF4 Titanium tetrafluoride tif4  
1653 CFCl3 Trichloromonofluoromethane cfcl3  
1654 CF3Br Bromotrifluoromethane cf3br  
1655 GeF4 Germanium tetrafluoride gef4  
1656 CCl4 Carbon tetrachloride ccl4  
1657 CCl4+ Carbon tetrachloride cation ccl4+  
1658 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1659 SiCl4 Silane, tetrachloro- sicl4  
1660 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1661 CF3I trifluoroiodomethane cf3i  
1662 CBrCl3 Methane, bromotrichloro- cbrcl3  
1663 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1664 GeCl4 Germanium Tetrachloride gecl4  
1665 CBr2ClF dibromochlorofluoromethane cbr2clf  
1666 CBr2Cl2 dibromodichloromethane cbr2cl2  
1667 CCl3I trichloroiodomethane ccl3i  
1668 CFBr3 fluorotribromomethane cfbr3  
1669 CFClBrI fluorochlorobromoiodomethane cfclbri  
1670 CBr3Cl tribromochloromethane cbr3cl  
1671 CF2I2 difluorodiiodomethane cf2i2  
1672 CBr4 Carbon tetrabromide cbr4  
1673 CCl2I2 dichlorodiiodomethane ccl2i2  
1674 SiBr4 Silicon tetrabromide sibr4  
1675 CBr3I tribromoiododmethane cbr3i  
1676 GeBr4 Germanium tetrabromide gebr4  
1677 CI4 tetraiodomethane ci4  
1678 SiI4 silicon tetraiodide sii4  
1679 ClOF3 Chlorine trifluoride oxide clof3  
1680 SF4 Sulfur tetrafluoride sf4  
1681 SeF4 Selenium tetrafluoride sef4  
1682 SCl4 Sulfur tetrachloride scl4  
1683 C2HF3 Trifluoroethylene c2hf3  
1684 C2HF3+ Trifluoroethylene cation c2hf3+  
1685 CHClCCl2 Trichloroethylene chclccl2  
1686 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1687 HClO4 perchloric acid hclo4  
1688 HSO3F Fluorosulfonic acid hso3f  
1689 CF3OH trifluoromethanol cf3oh  
1690 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1691 CHClCCHCl 1,3-dichloroallene chclcchcl  
1692 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1693 CHCl2CHO dichloroacetaldehyde chcl2cho  
1694 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1695 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1696 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1697 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1698 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1699 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1700 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1701 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1702 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1703 NH3BCl3 Amminetrichloroboron nh3bcl3  
1704 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1705 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1706 C3H5ClO Oxirane, (chloromethyl)- c106898  
1707 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1708 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1709 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1710 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1711 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1712 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1713 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1714 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1715 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1716 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1717 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1718 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1719 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1720 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1721 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1722 C4H9F 1-fluorobutane butaf1  
1723 CH3CHFCH2CH3 2-fluorobutane butaf2  
1724 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1725 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1726 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1727 XeF4 Xenon tetrafluoride xef4  
1728 C2H2N2O Furazan furazan  
1729 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1730 NH3BF3 Amminetrifluoroboron nh3bf3  
1731 C6H2 hexatriyne c6h2  
1732 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1733 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1734 C6H4 Benzyne benzyne  
1735 C6H5 phenyl phenyl  
1736 C6H5- phenyl anion phenyl-  
1737 C6H6 Prismane prismane  
1738 C6H6 1,2,4,5-Hexatetraene ht1245  
1739 C6H6 2,4-Hexadiyne hexadiyne  
1740 C6H6 3,4-Dimethylenecyclobutene cb34m  
1741 C6H6 Benzene benzene  
1742 C6H6 Benzvalene bv  
1743 C6H6 Dewar Benzene dewar  
1744 C6H6 Hexa-1,5-diene-3-yne hdy153  
1745 C6H6 Trimethylenecycopropane tmcp  
1746 C6H6+ Benzene cation c6h6+  
1747 C6H7+ benzene, protonated c6h7+  
1748 C6H8 (E)-hexa-1,3,5-triene c821078  
1749 C6H8 (E)-hexa-2,3,4-triene c59660650  
1750 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1751 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1752 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1753 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1754 C6H8 3-Methylenecyclopentene c930267  
1755 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1756 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1757 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1758 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1759 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1760 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1761 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1762 C6H10 1,5-Hexadiene c592427  
1763 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1764 C6H10 1-Hexyne hexyne1  
1765 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1766 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1767 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1768 C6H10 2-Hexyne c764352  
1769 C6H10 3-Hexyne hexyne3  
1770 C6H10 cyclohexene cyclohexene  
1771 C6H10 Cyclopentene, 1-methyl- c693890  
1772 C6H10 Cyclopentene, 3-methyl- c1120623  
1773 C6H10 Cyclopentene, 4-methyl- c1759815  
1774 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1775 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1776 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1777 C6H12 (E)-2-Hexene e2hexene  
1778 C6H12 (E)-3-methylpent-2-ene c616126  
1779 C6H12 (E)-hex-3-ene e3hexene  
1780 C6H12 (Z)-3-methylpent-2-ene c922623  
1781 C6H12 (Z)-hex-2-ene z2hexene  
1782 C6H12 (Z)-hex-3-ene z3hexene  
1783 C6H12 2,3-dimethylbut-1-ene c563780  
1784 C6H12 2,3-dimethyl-but-2-ene tmeet  
1785 C6H12 3-methylenepentane c760214  
1786 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1787 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1788 C6H12 Cyclohexane cyclohexane  
1789 C6H12 Cyclopentane, methyl- c96377  
1790 C6H12 Ethylcyclobutane c4806615  
1791 C6H12 hex-1-ene hexene1  
1792 C6H14 Butane, 2,2-dimethyl- buta22  
1793 C6H14 Butane, 2,3-dimethyl- buta23  
1794 C6H14 Hexane hexane  
1795 C6H14 Pentane, 2-methyl- penta2  
1796 C6H14 Pentane, 3-methyl- penta3  
1797 C4N2 2-Butynedinitrile c4n2  
1798 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1799 C4H2N2 Fumaronitrile c4h2n2  
1800 C2H2N4 sym-tetrazine ttz  
1801 C3H3N3 1,3,5-Triazine triazine135  
1802 CH3N5 5-Aminotetrazole c4418615  
1803 C4H4N2 1,3-Diazine diazine13  
1804 C4H4N2 Pyrazine pyrazine  
1805 C4H4N2 Pyridazine pyridazine  
1806 C4H4N2 Succinonitrile c110612  
1807 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1808 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1809 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1810 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1811 C5H5N E-2,4-pentadienenitrile bdcn  
1812 C5H5N Pyridine pyridine  
1813 B3N3H6 borazine borazine  
1814 C6H6 Fulvene fulvene  
1815 C5H6N+ Pyridinium c5h6n  
1816 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1817 C5H7N (E)-2-Pentenenitrile c26294984  
1818 C5H7N (E)-3-Pentenenitrile c16529661  
1819 C5H7N (Z)-2-Pentenenitrile c25899507  
1820 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1821 C5H7N Cyclobutanecarbonitrile c4426113  
1822 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1823 C5H9N Butanenitrile, 2-methyl- c18936179  
1824 C5H9N Pentanenitrile c110598  
1825 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1826 C6H10 Bicyclo[3.1.0]hexane c285585  
1827 C5H11N Cyclopentanamine cypentam  
1828 C5H11N Piperidine piper  
1829 C4H12N2 1,2-Butanediamine c4426486  
1830 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1831 Li2CO3 Lithium Carbonate li2co3  
1832 Na2CO3 Sodium Carbonate na2co3  
1833 C2O4-- oxalate anion c2o4  
1834 MgSO4 Magnesium Sulfate mgso4  
1835 N2O4 Dinitrogen tetroxide n2o4  
1836 C3H2O3 vinylene carbonate vica  
1837 C2H2O4 Oxalic Acid oxalic  
1838 C2H3NO3 Oxamic acid oxamic  
1839 C4H4O2 2(5H)-Furanone furanone  
1840 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1841 C2H4N2O2 Oxalamide oxalamide  
1842 C2H4N2S2 Ethanedithioamide c79403  
1843 C2H4CO3 Ethylene carbonate etco3  
1844 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1845 C3H4S3 1,3-Dithiolane-2-thione c822388  
1846 C2H4O4 Formic acid dimer fadimer  
1847 C4H5NO 3-Methylisoxazole isox3m  
1848 C4H5NO Isoxazole, 5-methyl- c5765446  
1849 C4H5NS 4-Methylthiazole c693958  
1850 C2H5NO3 Nitric acid, ethyl ester c625581  
1851 C5H6O 2H-Pyran pyran2  
1852 C5H6O 2-methylfuran furan2m  
1853 C5H6O 3-Methylfuran furan3m  
1854 C5H6O Pentadienal pdal  
1855 C5H6S Thiophene, 2-methyl- c554143  
1856 C5H6S Thiophene, 3-methyl- c616444  
1857 C4H6O2 γ–Butyrolactone c96480  
1858 C4H6O2 2,3-Butanedione c431038  
1859 C4H6O2 2-Propenoic acid, methyl ester c96333  
1860 C4H6O2 Crotonic Acid crot  
1861 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1862 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1863 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1864 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1865 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1866 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1867 C4H6OS Vinyl sulfoxide c1115157  
1868 CH6N4S Carbonothioic dihydrazide thiacarb  
1869 C2H6N2O2 (E)-Azodioxymethane c37765154  
1870 C2H6N2O2 Dimethylnitroamine c4164287  
1871 C3H6O3 1,3,5-Trioxane trioxane  
1872 C3H6S3 1,3,5-Trithiane c3h6s3  
1873 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1874 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1875 C4H7NO 2-Pyrrolidinone c616455  
1876 C4H7NO Ethoxyacetonitrile etoaccn  
1877 C4H7NO Methacrylamide c79390  
1878 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1879 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1880 C3H7ONO Propyl nitrite prono  
1881 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1882 CH3CH(NH2)COOH Alanine alanine  
1883 CH3NHCH2COOH Sarcosine sarcosine  
1884 NH2CH2CH2COOH β–alanine betaalanine  
1885 NH2COOC2H5 Urethane urethane  
1886 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1887 C5H8O Cyclopentanone c120923  
1888 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1889 C5H8O Methyl cyclopropyl ketone c765435  
1890 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1891 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1892 NH2CONHC2H5 Urea, ethyl- c625525  
1893 C4H8O2 1,3-Dioxane dioxan13  
1894 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1895 C4H8O2 1,4-Dioxane dioxan14  
1896 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1897 C4H8O2 Ethyl acetate c141786  
1898 C4H8OS s-Ethyl thioacetate c625605  
1899 C3H8O3 1,2,3-Propanetriol glycerin  
1900 C3H8O2S (Methylsulfonyl)ethane c594434  
1901 C4H9NO Butanamide c541355  
1902 C4H9NO Propanamide, 2-methyl- c563837  
1903 C5H10O 2-Butanone, 3-methyl- c563804  
1904 C5H10O 2H-Pyran, tetrahydro- c142687  
1905 C5H10O 2-methylbutyraldehyde 2meba  
1906 C5H10O 2-Pentanone mpk  
1907 C5H10O 3-Pentanone dek  
1908 C5H10O Cyclopentanol c96413  
1909 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1910 C5H10O Pentanal pal  
1911 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1912 C5H10S 3-Ethylthio-1-propene c5296628  
1913 C5H10S Cyclopentanethiol c1679078  
1914 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1915 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1916 C4H10O2 1,1-Dimethoxyethane c534156  
1917 C4H10O2 1,3-Butanediol budiol13  
1918 C4H10O2 1,4-Butanediol budiol14  
1919 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1920 C4H10OS Diethyl sulfoxide c70291  
1921 C4H10S2 1,4-Butanedithiol budisl14  
1922 C4H11NO Diethylhydroxylamine c3710847  
1923 C5H12O 1-Butanol, 2-methyl- c137326  
1924 C5H12O 1-Butanol, 3-methyl- c123513  
1925 C5H12O 1-Pentanol pentanol1  
1926 C5H12O 2-Butanol, 3-methyl- c598754  
1927 C5H12O 2-Pentanol peol2  
1928 C5H12O 3-Pentanol pentan3ol  
1929 C5H12O Butane, 1-methoxy- meobu  
1930 C5H12O Propane, 1-ethoxy- proet  
1931 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1932 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1933 C5H12S 1-Butanethiol, 3-methyl- c541311  
1934 C5H12S 1-Pentanethiol c110667  
1935 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1936 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1937 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1938 C5H12S Butane, 1-(methylthio)- c628295  
1939 C5H12S Ethyl propyl sulfide c4110503  
1940 C5H12S Propane, 2-(ethylthio)- c5145993  
1941 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1942 C4F2 difluorobutadiyne c4f2  
1943 ClCOClCO Oxalyl chloride oxcl  
1944 CF3CN Acetonitrile, trifluoro- cf3cn  
1945 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1946 B2F4 Diboron tetrafluoride b2f4  
1947 B2Cl4 Diboron tetrachloride b2cl4  
1948 C2F4 Tetrafluoroethylene c2f4  
1949 C2F4+ Tetrafluoroethylene cation c2f4+  
1950 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1951 CF2CCl2 difluorodichloroethylene cf2ccl2  
1952 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1953 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1954 C2FCl3 fluorotrichloroethene c2fcl3  
1955 C2Cl4 Tetrachloroethylene c2cl4  
1956 C2Br4 tetrabromoethene c2br4  
1957 CF3OF Trifluoromethylhypofluorite cf3of  
1958 SiF5- silicon pentafluoride anion sif5-  
1959 SOF4 Sulfur tetrafluoride oxide sof4  
1960 PF5 Phosphorus pentafluoride pf5  
1961 AsF5 Arsenic pentafluoride asf5  
1962 PCl5 Phosphorus pentachloride pcl5  
1963 SF5 Sulfur pentafluoride sf5  
1964 SF5+ pentafluoro sulfur cation sf5+  
1965 SbCl5 Antimony pentachloride sbcl5  
1966 BrF5 bromine pentafluoride brf5  
1967 ClF5 chlorinepentafluoride clf5  
1968 IF5 pentafluoroiodine if5  
1969 CF3CHO trifluoroacetaldehyde cf3cho  
1970 CCl3CHO trichloroacetaldehyde ccl3cho  
1971 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1972 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1973 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1974 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1975 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1976 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1977 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1978 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1979 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1980 CF3COOH trifluoroacetic acid cf3cooh  
1981 C4H3ClO Furan, 2-chloro fur2cl  
1982 C4H3ClO Furan,3-chloro fur3cl  
1983 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1984 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1985 C4H8Cl2 1,4-Dichlorobutane c110565  
1986 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1987 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1988 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1989 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1990 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1991 C5H11Cl Pentane, 1-chloro- pencl1  
1992 C4H8O2 Butanoic acid bua  
1993 C6H5CH2 benzyl radical benzyl  
1994 C7H7 cycloheptatrienyl radical c7h7  
1995 C7H7+ cycloheptatrienyl cation c7h7+  
1996 C6H5CH3 toluene toluene  
1997 C7H8 cycloheptatriene cht  
1998 C7H8 Norbornadiene norbor  
1999 C7H8 Quadricyclane qucy  
2000 C7H12 Norbornane nor  
2001 C7H14 cycloheptane c7h14  
2002 C7H16 2-methylhexane 2mhex  
2003 C7H16 3-methylhexane hex3m  
2004 C7H16 heptane heptane  
2005 CH(CN)3 tricyanomethane mecn3  
2006 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
2007 C6H7N 2-Methylpyridine mp  
2008 C6H5NH2 aniline aniline  
2009 C6H13N 2-Methylpiperidine pip2m  
2010 C6H13N cyclohexanamine cham  
2011 C6H15N triethylamine tea  
2012 N2O5 Dinitrogen pentoxide n2o5  
2013 C4H2O3 Maleic Anhydride malan  
2014 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
2015 C5H4O2 furfural furfural  
2016 C6H5O phenoxy radical phenoxy  
2017 C5H5NO 2(1H)-Pyridinone c72762006  
2018 C5H5NO 2(3H)-Pyridinone c9000048  
2019 C5H5NO 2(5H)-Pyridinone c9000037  
2020 C5H5NO 2-Pyridinol c109104  
2021 C5H5NO 3(2H)-Pyridinone c9000004  
2022 C5H5NO 3(4H)-Pyridinone c9000026  
2023 C5H5NO 3(6H)-Pyridinone c9000015  
2024 C5H5NO 3-Pyridinol c109002  
2025 C5H5NO 4(1H)-Pryidinone c9000060  
2026 C5H5NO 4(3H)-Pryidinone c9000059  
2027 C5H5NO 4-Pyridinol c626642  
2028 C6H5OH phenol phenol  
2029 C6H6O 2,4-Cyclohexadienone c24599573  
2030 C6H6O 2,5-Cyclohexadienone c5664335  
2031 C6H5SH Benzenethiol phsh  
2032 HO2CCHNH2CH2OH Serine serine  
2033 C5H8O2 Acetylacetone acac  
2034 C4H8O2S Sulfolane sulfolane  
2035 C7H10 Norbornene norbornene  
2036 CH(C2H3)3 trivinyl methane tvm  
2037 C6H10O cyclohexanone chexo  
2038 C6H12O hexanal c6h12o  
2039 C6H12O Oxepane oxepane  
2040 C3H7OC3H7 di-n-propyl ether propr  
2041 F2CCCF2 tetrafluoroallene pfa  
2042 CF3COO- trifluoro acetate anion cf3coo-  
2043 CF3COF trifluoroacetyl fluoride cf3cof  
2044 CF3COCl trifluoroacetyl chloride cf3cocl  
2045 PF6 Hexafluorophosphate neutral pf6  
2046 PF6- Hexafluorophosphate ion pf6-  
2047 SF6 Sulfur Hexafluoride sf6  
2048 SeF6 Selenium hexafluoride sef6  
2049 SF5Cl sulfur chloropentafluoride sf5cl  
2050 CF3CHF2 pentafluoroethane cf3chf2  
2051 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
2052 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2053 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2054 CCl3CHCl2 pentachloroethane ccl3chcl2  
2055 C6H5F Fluorobenzene bzf  
2056 C6H5Cl chlorobenzene bzcl  
2057 C6H5Br bromobenzene bzbr  
2058 C8H6 Calicene calicene  
2059 C6H5CCH phenylacetylene phac  
2060 C8H6 benzocyclobutadiene bcbd  
2061 C8H6 Pentalene pentalene  
2062 C6H5CHCH2 Styrene styrene  
2063 C8H8 cubane cubane  
2064 C8H8 cyclooctatetraene cot  
2065 C6H5CH2CH3 Ethylbenzene etbz  
2066 CH3C6H4CH3 meta-xylene mxylene  
2067 CH3C6H4CH3 paraxylene pxylene  
2068 C8H14 Bicyclo[2.2.2]octane bico222  
2069 C8H16 cyclooctane cyclooct  
2070 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2071 C8H18 Octane c8h18  
2072 C6H5CN phenyl cyanide phcn  
2073 C6H12N2 Triethylenediamine ted  
2074 C4O4-- squarate dianion c4o4--  
2075 S4N4 Tetrasulfur tetranitride s4n4  
2076 S8 Octasulfur s8  
2077 C6H4O2 parabenzoquinone pbq  
2078 C4H4N2O2 Uracil uracil  
2079 C6H5CHO benzaldehyde benzal  
2080 C6H5OCH3 Anisole anisole  
2081 C5H9NO2 Proline proline  
2082 C6H12O2 Methyl pivalate c598981  
2083 C6H12O2 Hexanoic acid hexa  
2084 C4F4 tetrafluorcyclobutadiene c4f4  
2085 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2086 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2087 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2088 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2089 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2090 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2091 C2F6 hexafluoroethane c2f6  
2092 C2Cl6 hexachloroethane c2cl6  
2093 IF7 Iodine heptafluoride if7  
2094 C6H4F2 metadifluorobenzene mdfb  
2095 C6H4F2 orthodifluorobenzene odfb  
2096 C6H4F2 1,4-difluorobenzene pdfb  
2097 C6H4Cl2 1,2-dichlorobenzene dcb12  
2098 C6H4Cl2 1,3-dichlorobenzene dcb13  
2099 C6H4Cl2 1,4-dichlorobenzene dcb14  
2100 C6H5NO nitrosobenzene bzno  
2101 C9H8 Indene indene  
2102 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2103 C9H12 n-propyl benzene prbz  
2104 C9H20 Nonane nonane  
2105 C(CN)4 tetracyanomethane c5n4  
2106 C5H4N4 purine purine  
2107 C8H7N Indole indole  
2108 C3H3N3O3 cyanuric acid cyanuric  
2109 C6H5NO2 Nitrobenzene c6h5no2  
2110 C6H5COOH benzoic acid benzo  
2111 CH3COC6H5 acetophenone acph  
2112 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2113 C3F6 hexafluoropropene c3f6  
2114 C6H3F3 Benzene trifluoride 123 bzf3a  
2115 C8H18O 1-Octanol octanol  
2116 C10H8 Azulene azu  
2117 C10H8 naphthalene naph  
2118 C10H10 bullvalene bullv  
2119 C10H16 adamantane adamantane  
2120 C6N4 Tetracyanoethylene tcne  
2121 C6N4- tetracyanoethylene anion tcne-  
2122 C10H22 Decane decane  
2123 C4F6 perfluorobutadiene c4f6  
2124 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2125 C3F8 perfluoropropane c3f8  
2126 Fe(CO)5 Iron pentacarbonyl ipc  
2127 Fe(C5H5)2 ferrocene fecp2  
2128 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2129 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2130 C12H8 Acenaphthylene acenaph  
2131 C12H8 biphenylene biph  
2132 C12H10 biphenyl biphenyl  
2133 C12H10 Heptalene heptalene  
2134 C6H12O6 Inositol inositol  
2135 C6F6 hexafluorobenzene c6f6  
2136 S2F10 disulphur decafluoride s2f10  
2137 C13H10 Fluorene fluorene  
2138 C14H10 Anthracene anth  
2139 C14H10 Phenanthrene phenanthrene  
2140 C14H14 Bibenzyl bibenzyl  
2141 C12H10N2 azobenzene azobenzene  
2142 C6H5COC6H5 benzophenone benzophenone  
2143 C16H10 Pyrene pyrene  
2144 C18H12 Tetracene tetracene  
2145 C19H16 Triphenylmethane tpm  
2146 C24H12 Coronene coronene  
2147 C60 Buckminsterfullerene c60