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 ROMP2 /SDD

Jump to calculations not yet done
count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 H+ Hydrogen atom cation  Kh
3 He Helium atom 1SKh
4 Li Lithium atom 2SKh
5 Na Sodium atom 2SKh
6 Na+ Sodium atom cation 1SKh
7 K Potassium atom 2SKh
8 Cu Copper atom 2SKh
9 CuH Copper monohydride 1ΣC∞v
10 Be Beryllium atom 1SKh
11 Be+ Beryllium atom cation 2SKh
12 Mg Magnesium atom 1SKh
13 Mg+ Magnesium atom cation 2SKh
14 Ca Calcium atom 1SKh
15 Zn Zinc atom 1SKh
16 ZnH Zinc monohydride 2ΣC∞v
17 B Boron atom 2PKh
18 B Boron atom 4PKh
19 B+ Boron atom cation 1SKh
20 Al Aluminum atom 2PKh
21 C Carbon atom 3P0Kh
22 Si Silicon atom 3PKh
23 Ti Titanium atom 3FKh
24 P Phosphorus atom 4SKh
25 O Oxygen atom 3SKh
26 S Sulfur atom 3PKh
27 Se Selenium atom 3PKh
28 OH Hydroxyl radical 2ΠC∞v
29 F Fluorine atom 2PKh
30 F- Fluorine atom anion 1SKh
31 Cl Chlorine atom 2PKh
32 Cl- Chlorine atom anion 1SKh
33 Ne Neon atom 1SKh
34 Ne+ Neon atom cation 2PKh
35 Ar Argon atom 1SKh
36 ZnCH2 Zinc methylene 3B1C2v
37 ZnCH2 Zinc methylene 1A'Cs
38 ZnCH3 Zinc monomethyl 2A1C3v
39 NO Nitric oxide 2ΠC∞v
40 O2 Oxygen diatomic 3ΣgD∞h
41 Se2 Selenium diatomic 3ΣgD∞h
42 ZnF Zinc monofluoride 2ΣC∞v
43 ZnCl Zinc monochloride 2ΣC∞v
44 ZnF2 Zinc difluoride 1ΣGD∞h
45 ZnCl2 Zinc dichloride 1ΣGD∞h

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 anion h-  
5 D2 Deuterium diatomic d2  
6 H2 Hydrogen diatomic h2  
7 H2- hydrogen diatomic anion h2-  
8 H2+ Hydrogen cation h2+  
9 HD Deuterium hydride hd  
10 H3+ hydrogen trimer cation h3+  
11 He- Helium atom anion he-  
12 He+ Helium atom cation he+  
13 HeH Helium hydride heh  
14 HeH+ Helium hydride cation heh+  
15 He2+ helium diatomic cation he2+  
16 Li- Lithium atom anion li-  
17 Li+ Lithium atom cation li+  
18 Na- Sodium atom anion na-  
19 K- Potassium atom anion k-  
20 K+ Potassium atom cation k+  
21 Cu- Copper atom anion cu-  
22 Cu+ Copper atom cation cu+  
23 LiH Lithium Hydride lih  
24 LiH- lithium hydride anion lih-  
25 LiH+ lithium hydride cation lih+  
26 NaH sodium hydride nah  
27 NaH- sodium hydride anion nah-  
28 NaH+ sodium hydride cation nah+  
29 KH Potassium hydride kh  
30 KH+ Potassium hydrogen cation kh+  
31 Be- Beryllium atom anion be-  
32 Mg- Magnesium atom anion mg-  
33 Ca- Calcium atom anion ca-  
34 Ca+ Calcium atom cation ca+  
35 Zn- Zinc atom anion zn-  
36 Zn+ Zinc atom cation zn+  
37 BeH beryllium monohydride beh  
38 BeH- berylium monohydride anion beh-  
39 BeH+ beryllium monohydride cation beh+  
40 MgH magnesium monohydride mgh  
41 MgH- magnesium monohydride anion mgh-  
42 MgH+ magnesium monohydride cation mgh+  
43 CaH Calcium monohydride cah  
44 CaH+ Calcium monohydride cation cah+  
45 TiH Titanium monohydride tih  
46 ZnH+ Zinc, protonated znh+  
47 BeH2 beryllium dihydride beh2  
48 BeH2+ Beryllium dihydride cation beh2+  
49 MgH2 magnesium dihydride mgh2  
50 CaH2 Calcium Hydride cah2  
51 ZnH2 Zinc hydride znh2  
52 B- Boron atom anion b-  
53 Al- Aluminum atom anion al-  
54 Al+ Aluminum atom cation al+  
55 Sc Scandium atom sc  
56 Sc+ Scandium cation sc+  
57 Ga Gallium atom ga  
58 Ga- Gallium atom anion ga-  
59 Ga+ Gallium atom cation ga+  
60 BH Boron monohydride bh  
61 BH- boron monohydride anion bh-  
62 BH+ boron monohydride cation bh+  
63 AlH aluminum monohydride alh  
64 AlH- aluminum monohydride anion alh-  
65 AlH+ aluminum monohydride cation alh+  
66 ScH Scandium monohydride sch  
67 ScH+ Scandium monohydride cation sch+  
68 GaH Gallium monohydride gah  
69 GaH+ Gallium monohydride cation gah+  
70 BH2 boron dihydride bh2  
71 BH2- boron dihydride anion bh2-  
72 BH2+ Boron dihydride cation bh2+  
73 AlH2 aluminum dihydride alh2  
74 AlH2- aluminum dihydride anion alh2-  
75 AlH2+ aluminum dihydride cation alh2+  
76 BH3 boron trihydride bh3  
77 BH3- boron trihydride anion bh3-  
78 BH3+ boron trihydride cation bh3+  
79 AlH3 aluminum trihydride alh3  
80 AlH3- aluminum trihydride anion alh3-  
81 AlH3+ aluminum trihydride cation alh3+  
82 ScH3 Scandium trihydride sch3  
83 GaH3 Gallium trihydride gah3  
84 BH4 borohydride bh4  
85 BH4- borohydride anion bh4-  
86 AlH4- Aluminum tetrahydride anion alh4-  
87 C- Carbon atom anion c-  
88 C+ Carbon atom cation c+  
89 Si- Silicon atom anion si-  
90 Si+ Silicon atom cation si+  
91 Ti- Titanium atom anion ti-  
92 Ti+ Titanium atom cation ti+  
93 Ge Germanium atom ge  
94 Ge- Germanium anion ge-  
95 Ge+ Germanium cation ge+  
96 Sn Tin atom sn  
97 Sn+ Tin cation sn+  
98 CH Methylidyne ch  
99 CH- methylidyne anion ch-  
100 CH+ Methylidyne cation ch+  
101 SiH Silylidyne sih  
102 SiH- silicon monohydride anion sih-  
103 SiH+ silicon monohydride cation sih+  
104 GeH germylidene geh  
105 GeH+ Germaniun monohyrdide cation geh+  
106 CH2 Methylene ch2  
107 CH2- methylene anion ch2-  
108 CH2+ methylene cation ch2+  
109 SiH2 silicon dihydride sih2  
110 SiH2- silicon dihydride anion sih2-  
111 SiH2+ silicon dihydride cation sih2+  
112 GeH2 germylene geh2  
113 GeH2- germylene anion geh2-  
114 CH3 Methyl radical ch3  
115 CH3- methyl anion ch3-  
116 CH3+ methyl cation ch3+  
117 SiH3 Silyl radical sih3  
118 SiH3- Silyl anion sih3-  
119 SiH3+ Silyl cation sih3+  
120 GeH3 Germyl radical geh3  
121 GeH3+ germyl cation geh3+  
122 CD4 methane-d4 cd4  
123 CH2D2 methane-d2 ch2d2  
124 CH3D methane-d ch3d  
125 CH4 Methane ch4  
126 CH4- Methane anion ch4-  
127 CH4+ Methane cation ch4+  
128 CHD3 methane-d3 chd3  
129 SiH2D2 silane-d2 sih2d2  
130 SiH4 Silane sih4  
131 SiH4+ Silane cation sih4+  
132 GeH4 Germane geh4  
133 SnH4 Stannane snh4  
134 SiH5+ Silane, protonated sih5+  
135 N Nitrogen atom n  
136 N- Nitrogen atom anion n-  
137 N+ Nitrogen atom cation n+  
138 P- Phosphorus atom anion p-  
139 P+ Phosphorus atom cation p+  
140 V Vanadium atom v  
141 V+ Vanadium atom cation v+  
142 As Arsenic atomic as  
143 As- Arsenic anion as-  
144 As+ Arsenic cation as+  
145 Sb Antimony atom sb  
146 NH Imidogen nh  
147 NH- Imidogen anion nh-  
148 NH+ imidogen cation nh+  
149 PH phosphorus monohydride ph  
150 PH- phosphorus monohydride anion ph-  
151 PH+ phosphorus monohydride cation ph+  
152 AsH Arsenic monohydride ash  
153 AsH+ Arsenic monohydride cation ash+  
154 SbH Antimony monohydride sbh  
155 ND2 Amidogen-d2 nd2  
156 NH2 Amino radical nh2  
157 NH2- amino anion nh2-  
158 NH2+ Amino cation nh2+  
159 PH2 Phosphino radical ph2  
160 PH2- Phosphino anion ph2-  
161 PH2+ Phosphino cation ph2+  
162 AsH2 Arsenic dihydride ash2  
163 AsH2+ Arsenic dihydride cation ash2+  
164 ND3 Ammonia-d3 nd3  
165 NH3 Ammonia nh3  
166 NH3- Ammonia anion nh3-  
167 NH3+ ammonia cation nh3+  
168 PH3 Phosphine ph3  
169 PH3+ Phosphine cation ph3+  
170 AsH3 Arsine ash3  
171 AsH3+ Arsine cation ash3+  
172 SbH3 Stibine sbh3  
173 AsH4+ Arsonium ash4+  
174 NH4 Ammonium radical nh4  
175 NH4+ ammonium cation nh4+  
176 PH4 Phosphoranyl radical ph4  
177 PH4+ phosphonium cation ph4+  
178 O- Oxygen atom anion o-  
179 O+ Oxygen atom cation o+  
180 S- Sulfur atom anion s-  
181 S+ Sulfur atom cation s+  
182 Cr Chromium atom cr  
183 Se- Selenium atom anion se-  
184 Se+ Selenium atom cation se+  
185 Te Tellurium atom te  
186 Te+ Tellurium atom cation te+  
187 DO Hydroxyl-d od  
188 OH- hydroxide anion oh-  
189 OH+ hydoxyl cation oh+  
190 DS Mercapto-d ds  
191 HS Mercapto radical hs  
192 HS- mercapto anion sh-  
193 HS+ sulfur monohydride cation sh+  
194 CrH Chromium hydride crh  
195 CrH+ Chromium hydride cation crh+  
196 HSe Selenium monohydride hse  
197 HSe- selenium monohydride anion hse-  
198 HSe+ selenium monohydride cation hse+  
199 TeH Telluryl radical teh  
200 D2O Deuterium oxide d2o  
201 H2O Water h2o  
202 H2O- water anion h2o-  
203 H2O+ water cation h2o+  
204 HDO Water-d1 hdo  
205 D2S Hydrogen sulfide-d2 d2s  
206 H2S Hydrogen sulfide h2s  
207 H2S- Hydrogen sulfide anion h2s-  
208 H2S+ Hydrogen sulfide cation h2s+  
209 H2Se Hydrogen selenide h2se  
210 H2Se+ Hydrogen selenide cation h2se+  
211 H2Te Hydrogen Telluride h2te  
212 H3O+ hydronium cation h3o+  
213 H3S+ Sulfonium cation h3s+  
214 H3Se+ Hydrogen Selenide, protonated h3se+  
215 F+ Fluorine atom cation f+  
216 Cl+ Chlorine atom cation cl+  
217 Mn Manganese atom mn  
218 Br Bromine atom br  
219 Br- Bromine atom anion br-  
220 Br+ Bromine atom cation br+  
221 I Iodine atom iodine  
222 I- Iodine atom anion iodine-  
223 I+ Iodine atom cation iodine+  
224 DF Hydrofluoric acid-d df  
225 HF Hydrogen fluoride hf  
226 HF- hydrogen fluoride anion hf-  
227 HF+ hydrogen fluoride cation hf+  
228 DCl Hydrochloric acid-d dcl  
229 HCl Hydrogen chloride hcl  
230 HCl- hydrogen chloride anion hcl-  
231 HCl+ hydrogen chloride cation hcl+  
232 HBr hydrogen bromide hbr  
233 HBr- hydrogen bromide anion hbr-  
234 HBr+ hydrogen bromide cation hbr+  
235 HI Hydrogen iodide hi  
236 HI+ Hydrogen iodide cation hi+  
237 H2F+ dihydrogen fluoride cation h2f+  
238 H2Cl+ dihydrogen monochloride cation h2cl+  
239 H2Br+ protonated hydrogen bromide h2br+  
240 H2I+ Iodonium h2i+  
241 Ne- Neon atom anion ne-  
242 Ar- Argon atom anion ar-  
243 Ar+ Argon atom cation ar+  
244 Fe Iron atom fe  
245 Kr Krypton atom kr  
246 Kr+ Krypton cation kr+  
247 Xe Xenon atom xe  
248 HeLi+ Helium Lithium cation heli+  
249 NeH neon hydrogen neh  
250 NeH+ neon hydrogen cation neh+  
251 ArH+ Argon hydride cation arh+  
252 KrH+ Protonated Krypton krh+  
253 XeH+ Xenon, protonated xeh+  
254 H2Ar H2 Ar dimer h2ar  
255 Co Cobalt atom cobalt  
256 Ni Nickel atom ni  
257 Li2 Lithium diatomic li2  
258 Li2- lithium diatomic anion li2-  
259 Li2+ lithium diatomic cation li2+  
260 NaLi lithium sodium lina  
261 NaLi- lithium sodium anion lina-  
262 NaLi+ lithium sodium cation lina+  
263 LiK Lithium Potassium lik  
264 Na2 Sodium diatomic na2  
265 Na2- sodium diatomic anion na2-  
266 Na2+ sodium diatomic cation na2+  
267 NaK Sodium Potassium nak  
268 NaK+ Sodium Potassium diatomic cation nak+  
269 K2 Potassium diatomic k2  
270 Cu2 Copper diatomic cu2  
271 LiBe Lithium Beryllium libe  
272 LiMg Lithium magnesium limg  
273 NaBe Sodium Beryllium nabe  
274 NaMg Sodium Magnesium namg  
275 Be2 Beryllium diatomic be2  
276 Be2- Beryllium diatomic anion be2-  
277 Be2+ Beryllium diatomic cation be2+  
278 BeMg Beryllium Magnesium bemg  
279 Mg2 Magnesium diatomic mg2  
280 Mg2- magnesium diatomic anion mg2-  
281 Mg2+ magnesium diatomic cation mg2+  
282 Ca2 Calcium diatomic ca2  
283 LiB Lithium boride lib  
284 LiAl Lithium Aluminum lial  
285 NaAl Sodium aluminum naal  
286 BeB Beryllium monoboride beb  
287 B2 Boron diatomic b2  
288 B2- Boron diatomic anion b2-  
289 B2+ Boron diatomic cation b2+  
290 BAl Boron Aluminum bal  
291 Al2 Aluminum diatomic al2  
292 Al2- aluminum diatomic anion al2-  
293 Al2+ aluminum diatomic cation al2+  
294 BGa Boron Gallium bga  
295 AlGa Aluminum Gallium alga  
296 Ga2 Gallium diatomic ga2  
297 HBBH Diborane(2) hbbh  
298 LiBH4 Lithium borohydride libh4  
299 B2H4 Diborane(4) D2d b2h4  
300 HBHHBH Diborane(4) C2V hbhhbh  
301 B2H6 Diborane b2h6  
302 B2H6+ Diborane cation b2h6  
303 Al2H6 dialane al2h6  
304 Ga2H6 digallane ga2h6  
305 LiC Lithium Carbide lic  
306 BeC Beryllium Carbide bec  
307 CaC Calcium monocarbide cac  
308 BC boron monocarbide bc  
309 BC- boron monocarbide anion bc-  
310 BC+ boron monocarbide cation bc+  
311 AlC Aluminum carbide alc  
312 BSi Boron silicide bsi  
313 C2 Carbon diatomic c2  
314 C2- carbon diatomic anion c2-  
315 C2+ carbon diatomic cation c2+  
316 SiC silicon monocarbide sic  
317 SiC- silicon monocarbide anion sic-  
318 SiC+ silicon monocarbide cation sic+  
319 Si2 Silicon diatomic si2  
320 Si2- silcon diatomic anion si2-  
321 Si2+ silcon diatomic cation si2+  
322 GeC Germanium monocarbide gec  
323 SiGe Silicon Germanium sige  
324 Ge2 Germanium diatomic ge2  
325 C2H Ethynyl radical c2h  
326 C2H- Ethynyl anion c2h-  
327 C2H+ Ethynyl cation c2h+  
328 C2H2 Acetylene c2h2  
329 C2H2+ acetylene cation c2h2+  
330 CCH2 vinylidene vinylidene  
331 H2CC- vinylidene anion h2cc-  
332 HCCH- acetylene anion c2h2-  
333 Si2H2 disilyne si2h2  
334 CH3Li methyl lithium ch3li  
335 CuCH3 monomethyl copper cuch3  
336 CH2BH methyleneborane ch2bh  
337 C2H3 vinyl c2h3  
338 C2H3- vinyl anion c2h3-  
339 C2H3+ vinyl cation c2h3+  
340 C2H4 Ethylene c2h4  
341 C2H4- Ethylene anion c2h4-  
342 C2H4+ Ethylene cation c2h4+  
343 CH3CH methylmethylene ch3ch  
344 CH2SiH2 silaethylene ch2sih2  
345 Si2H4 Disilene si2h4  
346 CH3BH2 methylborane ch3bh2  
347 C2H5 Ethyl radical c2h5  
348 C2H5- Ethyl anion c2h5-  
349 C2H5+ Ethyl cation c2h5+  
350 C2H6 Ethane c2h6  
351 C2H6+ ethane cation c2h6+  
352 CH3SiH3 methyl silane ch3sih3  
353 Si2H6 disilane si2h6  
354 GeH3CH3 methyl germane geh3ch3  
355 C2H7+ Ethane, protonated c2h7+  
356 LiN Lithium Nitride lin  
357 LiN+ Lithium Nitride cation lin+  
358 LiP Lithium monophosphide lip  
359 BeN Beryllium mononitride ben  
360 BeN- Beryllium mononitride anion ben-  
361 BeN+ Beryllium mononitride cation ben+  
362 MgN Magnesium Nitride mgn  
363 BN- boron nitride anion bn-  
364 AlN- aluminum mononitride anion aln-  
365 AlN+ aluminum mononitride cation aln+  
366 BP Boron monophosphide bp  
367 AlP Aluminum monophosphide alp  
368 GaN Gallium mononitride gan  
369 GaP Gallium monophosphide gap  
370 GaAs Gallium arsenide gaas  
371 BN boron nitride bn  
372 BN+ boron nitride cation bn+  
373 AlN Aluminum nitride aln  
374 CN Cyano radical cn  
375 CN- cyanide anion cn-  
376 CN+ Cyano cation cn+  
377 CP Carbon monophosphide cp  
378 CP- carbon monophosphide anion cp-  
379 CP+ carbon monophosphide cation cp+  
380 SiN Silicon nitride sin  
381 SiN- silicon mononitride anion sin-  
382 SiN+ silicon mononitride cation sin+  
383 SiP Silicon monophosphide sip  
384 SiP- Silicon monophosphide anion sip-  
385 SiP+ Silicon monophosphide cation sip+  
386 TiN Titanium mononitride tin  
387 N2 Nitrogen diatomic n2  
388 N2- nitrogen diatomic anion n2-  
389 N2+ diatomic nitrogen cation n2+  
390 PN Phosphorus mononitride pn  
391 PN- phosphorus nitride anion pn-  
392 PN+ phosphorus nitride cation pn+  
393 P2 Phosphorus diatomic p2  
394 P2- phosphorus diatomic anion p2-  
395 P2+ phosphorus diatomic cation p2+  
396 AsN Arsenic mononitride asn  
397 AsP Arsenic monophosphide asp  
398 SbN Antimony nitride sbn  
399 As2 Arsenic diatomic as2  
400 HNB hydrogen nitrogen boron hnb  
401 HNC hydrogen isocyanide hnc  
402 HCN Hydrogen cyanide hcn  
403 HCN- Hydrogen cyanide anion hcn-  
404 HCN+ hydrogen cyanide cation hcn+  
405 HNC+ hydrogen isocyanide cation hnc+  
406 HCP Phosphaethyne hcp  
407 HCP+ Phosphaethyne cation hcp+  
408 NNH Dinitrogen monohydride nnh  
409 NNH+ Dinitrogen monohydride cation nnh+  
410 HPO Hydrogen phosphorus oxide hpo  
411 HPO+ Hydrogen phosphorus oxide cation hpo+  
412 LiNH2 lithium amide linh2  
413 HBNH Boranimine hbnh  
414 CNH2 Aminomethylidyne radical cnh2  
415 CNH2+ N-protonated hydrogen isocyanide cnh2+  
416 H2CN Dihydrogen cyanide radical h2cn  
417 H2CN+ hydrocyanonium cation h2cn+  
418 HCNH methyleneazane hcnh  
419 HCNH+ N-protonated HCN hcnh+  
420 H2NN Isodiazene h2nn  
421 N2H2 (E)-diazene n2h2  
422 N2H2 (Z)-Diazene n2h2z  
423 N2H2+ trans-diazene cation n2h2+  
424 CH2NH Methanimine ch3n  
425 CH2NH+ Methanimine cation ch2nh+  
426 CHNH2 aminomethylene chnh2  
427 CHNH2+ Aminocarbene cation chnh2+  
428 CH2PH Phosphaethene ch3p  
429 BH2NH2 Boranamine bh2nh2  
430 CH2NH2+ methyleneamine cation ch2nh2+  
431 N2H4 Hydrazine n2h4  
432 N2H4+ hydrazine cation n2h4+  
433 P2H4 Diphosphine p2h4  
434 CH3NH2 methyl amine ch3nh2  
435 CH3NH2+ methyl amine cation ch3nh2+  
436 CH3PH2 Methyl phosphine ch3ph2  
437 SiH3NH2 Silane, amino sih3nh2  
438 N2H5+ protonated hydrazine n2h5+  
439 BH3PH3 borane phosphine bh3ph3  
440 BH3NH3 borane ammonia bh3nh3  
441 CH3NH3 methyl ammonium radical ch3nh3  
442 CH3NH3+ protonated methylamine ch3nh3+  
443 CH3PH3+ methyl phosphine, protonated ch3ph3+  
444 NH3NH3 Ammonia Dimer nh3nh3  
445 N2H7+ ammonia ammonium dimer n2h7+  
446 LiO lithium oxide lio  
447 LiO- lithium oxide anion lio-  
448 LiO+ lithium oxide cation lio+  
449 LiS Lithium monosulfide lis  
450 LiS+ Lithium sulfide cation lis+  
451 NaO sodium monoxide nao  
452 NaO- sodium oxide anion nao-  
453 NaO+ sodium oxide cation nao+  
454 KO Potassium monoxide ko  
455 KO+ Potassium monoxide cation ko+  
456 NaS Sodium sulfide nas  
457 CuO Copper Monoxide cuo  
458 LiSe Lithium monoselenide lise  
459 BeO beryllium oxide beo  
460 BeO- Beryllium monoxide anion beo-  
461 BeO+ Beryllium monoxide cation beo+  
462 BeS beryllium sulfide bes  
463 MgO magnesium oxide mgo  
464 MgO- magnesium oxide anion mgo-  
465 MgO+ magnesium oxide cation mgo+  
466 CaO Calcium monoxide cao  
467 MgS magnesium sulfide mgs  
468 MgS- magnesium sulfide anion mgs-  
469 MgS+ magnesium sulfide cation mgs+  
470 CaS Calcium sulfide cas  
471 ZnO zinc monoxide zno  
472 ZnS Zinc sulfide zns  
473 BeS- Beryllium monosulfide anion bes-  
474 BeS+ Beryllium monosulfide cation bes+  
475 BO boron monoxide bo  
476 BO- boron monoxide anion bo-  
477 AlO Aluminum monoxide alo  
478 AlO- Aluminum monoxide anion alo-  
479 AlO+ aluminum monoxide cation alo+  
480 BS boron sulfide bs  
481 BS- boron monosulfide anion bs-  
482 BS+ boron monosulfide cation bs+  
483 AlS Aluminum sulfide als  
484 AlS- aluminum monosulfide anion als-  
485 AlS+ aluminum monosulfide cation als+  
486 ScO Scandium monoxide sco  
487 GaO Gallium monoxide gao  
488 GaS Gallium monosulfide gas  
489 BO+ boron monoxide cation bo+  
490 CO Carbon monoxide co  
491 CO- carbon monoxide anion co-  
492 CO+ carbon monoxide cation co+  
493 CS carbon monosulfide cs  
494 CS- carbon monosulfide anion cs-  
495 CS+ carbon monosulfide cation cs+  
496 SiO Silicon monoxide sio  
497 SiO- silicon monoxide anion sio-  
498 SiO+ silicon monoxide cation sio+  
499 SiS silicon monosulfide sis  
500 SiS- silicon monosulfide anion sis-  
501 SiS+ silicon monosulfide cation sis+  
502 TiO Titanium monoxide tio  
503 CSe Carbon monoselenide cse  
504 CSe- Carbon monoselenide anion cse-  
505 CSe+ Carbon monoselenide cation cse+  
506 GeO Germanium monoxide geo  
507 GeO+ Germanium monoxide cation geo+  
508 GeS Germanium monosulfide ges  
509 SiSe Silicon Monoselenide sise  
510 SiSe+ Silicon Monoselenide cation sise+  
511 GeSe Germanium monoselenide gese  
512 NO- nitric oxide anion no-  
513 NO+ nitric oxide cation no+  
514 NS Mononitrogen monosulfide ns  
515 NS- nitrogen sulfide anion ns-  
516 NS+ nitrogen sulfide cation ns+  
517 PO Phosphorus monoxide po  
518 PO- phosphorus monoxide anion po-  
519 PO+ phosphorus monoxide cation po+  
520 PS phosphorus sulfide ps  
521 PS- phosphorus monosulfide anion ps-  
522 PS+ phosphorus monosulfide cation ps+  
523 VO Vanadium monoxide vo  
524 AsO Arsenic monoxide aso  
525 NSe Nitrogen monoselenide nse  
526 AsS Arsenic monosulfide ass  
527 PSe Phosphorus monoselenide pse  
528 AsSe Arsenic monoselenide asse  
529 O2- oxygen diatomic anion o2-  
530 O2-- dioxygen dianion o2--  
531 O2+ diatomic oxygen cation o2+  
532 SO Sulfur monoxide so  
533 SO- sulfur monoxide anion so-  
534 SO+ sulfur monoxide cation so+  
535 S2 Sulfur diatomic s2  
536 S2- sulfur diatomic anion s2-  
537 S2+ sulfur diatomic cation s2+  
538 SeO Selenium monoxide seo  
539 SeO- selenium monoxide anion seo-  
540 SeO+ selenium monoxide cation seo+  
541 SeS Selenium monosulfide ses  
542 SeS- selenium monosulfide anion ses-  
543 SeS+ selenium monosulfide cation ses+  
544 TeO Tellurium monoxide teo  
545 Se2- selenium diatomic anion se2-  
546 Se2+ selenium diatomic cation se2+  
547 Te2 Tellurium diatomic te2  
548 LiOH lithium hydroxide lioh  
549 NaOH sodium hydroxide naoh  
550 KOH Potassium hydroxide koh  
551 BeOH beryllium monohydroxide beoh  
552 MgOH magnesium hydroxide mgoh  
553 CaOH Calcium monohydroxide caoh  
554 HBO Boron hydride oxide hbo  
555 HBS hydrogen boron sulfide hbs  
556 COH Hydroxymethylidyne coh  
557 COH+ Carbon Monoxide, protonated coh+  
558 HCO Formyl radical hco  
559 HCO- formyl anion hco-  
560 HCO+ Formyl cation hco+  
561 HCS Thioformyl radical hcs  
562 HCS- Thioformyl anion hcs-  
563 HCS+ Thioformyl cation hcs+  
564 HNO Nitrosyl hydride hno  
565 HNO- Nitrosyl hydride anion hno-  
566 HNO+ Nitrosyl hydride cation hno+  
567 NOH Hydroxyimidogen noh  
568 NOH+ O-protonated nitric oxide noh+  
569 HNS Sulfur imide hns  
570 HNS- Sulfur imide anion hns-  
571 HO2 Hydroperoxy radical ho2  
572 HO2- Hydroperoxy anion ho2-  
573 HO2+ Hydroperoxy cation ho2+  
574 HSO+ Sulfur Monoxide, S-protonated HSO+  
575 SOH Sulfur Hydroxide soh  
576 SOH+ Sulfur Monoxide, protonated soh+  
577 HS2 Thiosulfeno radical hs2  
578 H2CO Formaldehyde h2co  
579 H2CO- formaldehyde anion h2co-  
580 H2CO+ formaldehyde cation h2co+  
581 HOCH hydroxycarbene hoch  
582 H2CS Thioformaldehyde h2cs  
583 H2CS- thioformaldehyde anion h2cs-  
584 H2CS+ thioformaldehyde cation h2cs+  
585 H2CSe Selenoformaldehyde h2cse  
586 H2NO nitroxide h2no  
587 H2O2 Hydrogen peroxide h2o2  
588 H2O2+ Hydrogen peroxide cation h2o2+  
589 H2OO water oxide h2oo  
590 HOSH hydrogen thioperoxide hosh  
591 H2S2 Disulfane h2s2  
592 H2S2+ hydrogen disulfide cation h2s2+  
593 H2Se2 hydrogen diselenide h2se2  
594 CH2OH Hydroxymethyl radical ch2oh  
595 CH2OH+ hydroxymethyl cation ch2oh+  
596 CH3O Methoxy radical ch3o  
597 CH3O- methoxy anion ch3o-  
598 CH3O+ Methoxy cation ch3o+  
599 CH3S thiomethoxy ch3s  
600 H2CSH+ Thioformaldehyde, protonated h2csh+  
601 NH2OH hydroxylamine nh2oh  
602 NH2OH+ Hydroxylamine cation nh2oh+  
603 NH3O Ammonia Oxide nh3o  
604 H2POH Phosphinous acid h2poh  
605 H3PO Phosphine oxide h3po  
606 NH2SH Thiohydroxylamine nh2sh  
607 NH3S sulfidoazane nh3s  
608 H3O2+ hydrogen peroxide, protonated h3o2+  
609 CH3OH Methyl alcohol ch3oh  
610 CH3OH- Methyl alcohol anion ch3oh-  
611 CH3OH+ Methyl alcohol cation ch3oh+  
612 CH3SH Methanethiol ch3sh  
613 CH3SH+ Methanethiol cation ch3sh+  
614 SiH3OH silanol sih3oh  
615 CH3SeH Methane selenol ch3seh  
616 NH2OH2+ protonated hydroxylamine nh2oh2+  
617 NH3OH+ N-protonated hydroxylamine nh3oh+  
618 H2OH2O water dimer h2oh2o  
619 CH3OH2+ Methanol, protonated ch3oh2+  
620 CH3SH2+ protonated methylsulfide ch3sh2+  
621 H2ONH3 Water Ammonia Dimer h2onh3  
622 H5O2+ Dihydroxonium ion h5o2+  
623 LiF lithium fluoride lif  
624 LiCl lithium chloride licl  
625 LiCl- lithium chloride anion licl-  
626 LiCl+ lithium chloride cation licl+  
627 NaF sodium fluoride naf  
628 NaF- sodium fluoride anion naf-  
629 NaF+ sodium fluoride cation naf+  
630 KF Potassium Fluoride kf  
631 NaCl Sodium Chloride nacl  
632 NaCl- sodium chloride anion nacl-  
633 NaCl+ sodium chloride cation nacl+  
634 KCl Potassium Chloride kcl  
635 CuF Copper monofluoride cuf  
636 LiBr Lithium Bromide libr  
637 LiBr- lithium bromide anion libr-  
638 LiBr+ lithium bromide cation libr+  
639 CuCl Copper monochloride cucl  
640 NaBr Sodium Bromide nabr  
641 NaBr- sodium bromide anion nabr-  
642 NaBr+ sodium bromide cation nabr+  
643 KBr Potassium Bromide kbr  
644 LiI Lithium Iodide lii  
645 NaI Sodium Iodide nai  
646 KI Potassium Iodide ki  
647 LiF- lithium fluoride anion lif-  
648 LiF+ lithium fluoride cation lif+  
649 BeF Beryllium monofluoride bef  
650 BeF- Beryllium monofluoride anion bef-  
651 BeF+ Beryllium monofluoride cation bef+  
652 BeCl beryllium monochloride becl  
653 MgF Magnesium monofluoride mgf  
654 MgF- magnesium fluoride anion mgf-  
655 MgF+ magnesium fluoride cation mgf+  
656 CaF Calcium monofluoride caf  
657 MgCl magnesium monochloride mgcl  
658 MgCl- magnesium monochloride anion mgcl-  
659 MgCl+ magnesium monochloride cation mgcl+  
660 CaCl calcium monochloride cacl  
661 TiCl Titanium Monochloride ticl  
662 ZnF- Zinc monofluoride anion znf-  
663 ZnF+ Zinc monofluoride cation znf+  
664 CaBr Calcium monobromide cabr  
665 BeCl- beryllium monochloride anion becl-  
666 BeCl+ beryllium monochloride cation becl+  
667 BF Boron monofluoride bf  
668 BF- Boron monofluoride anion bf-  
669 BF+ Boron monofluoride cation bf+  
670 AlF Aluminum monofluoride alf  
671 AlF- Aluminum monofluoride anion alf-  
672 AlF+ Aluminum monofluoride cation alf+  
673 BCl boron monochloride bcl  
674 BCl- boron monochloride anion bcl-  
675 BCl+ boron monochloride cation bcl+  
676 AlCl Aluminum monochloride alcl  
677 AlCl- aluminum monochloride anion alcl-  
678 AlCl+ aluminum monochloride cation alcl+  
679 ScF Scandium monofluoride scf  
680 BBr Boron monobromide bbr  
681 GaF Gallium monofluoride gaf  
682 GaF+ Gallium monofluoride cation gaf+  
683 AlBr Aluminum monobromide albr  
684 GaCl Gallium monochloride gacl  
685 GaCl+ Gallium monochloride cation gacl+  
686 AlI Aluminum monoiodide ali  
687 GaBr Gallium monobromide gabr  
688 CF Fluoromethylidyne cf  
689 CF- carbon monofluoride anion cf-  
690 CF+ carbon monofluoride cation cf+  
691 CCl carbon monochloride ccl  
692 CCl- carbon monochloride anion ccl-  
693 CCl+ carbon monochloride cation ccl+  
694 SiF silicon monofluoride sif  
695 SiF- silicon monofluoride anion sif-  
696 SiF+ silicon monofluoride cation sif+  
697 SiCl Clorosilylidyne sicl  
698 SiCl- silicon monochloride anion sicl-  
699 SiCl+ silicon monochloride cation sicl+  
700 CBr Carbon monobromide cbr  
701 GeF Germanium monofluoride gef  
702 GeF+ Germanium monofluoride cation gef+  
703 GeCl Germanium monochloride gecl  
704 GeCl+ Germanium monochloride cation gecl+  
705 SiBr Silicon monobromide sibr  
706 SiBr+ Silicon monobromide cation sibr+  
707 NF nitrogen fluoride nf  
708 NF- nitrogen monofluorine anion nf-  
709 NF+ nitrogen monofluoirde cation nf+  
710 NCl nitrogen monochloride ncl  
711 NCl- nitrogen monochloride anion ncl-  
712 NCl+ nitrogen monochloride cation ncl+  
713 PF phosphorus monofluoride pf  
714 PF- phosphorus monofluoride anion pf-  
715 PF+ phosphorus monofluoride cation pf+  
716 PCl phosphorus chloride pcl  
717 PCl- phosphorus monochloride anion pcl-  
718 PCl+ phosphorus monochloride cation pcl+  
719 AsF Arsenic monofluoride asf  
720 NBr nitrogen monobromide nbr  
721 AsCl Arsenic monochloride ascl  
722 PBr Phosphorus monobromide pbr  
723 SbF Antimony monofluoride sbf  
724 SbCl Antimony monochloride sbcl  
725 FO Oxygen monofluoride fo  
726 FO- flourine oxide anion fo-  
727 FO+ fluorine monoxide cation fo+  
728 ClO Monochlorine monoxide clo  
729 ClO- chlorine monoxide anion clo-  
730 ClO+ chlorine monoxide cation clo+  
731 SF Monosulfur monofluoride sf  
732 SF- sulfur monofluoride anion sf-  
733 SF+ sulfur monofluoride cation sf+  
734 SCl sulfur monochloride scl  
735 SCl- sulfur monochloride anion scl-  
736 SCl+ sulfur monochloride cation scl+  
737 BrO Bromine monoxide bro  
738 BrO- Bromine monoxide anion bro-  
739 BrO+ Bromine monoxide cation bro+  
740 SeF Selenium monofluoride sef  
741 SBr Sulfur monobromide radical sbr  
742 SBr+ Sulfur monobromide cation sbr+  
743 SeCl Selenium monochloride secl  
744 IO Iodine monoxide io  
745 SeBr Selenium monobromide sebr  
746 BrCl Bromine monochloride brcl  
747 F2 Fluorine diatomic f2  
748 F2- flourine diatomic anion f2-  
749 F2+ flourine diatomic cation f2+  
750 ClF Chlorine monofluoride clf  
751 ClF- clorine monofluoride anion clf-  
752 ClF+ clorine monofluoride cation clf+  
753 Cl2 Chlorine diatomic cl2  
754 Cl2- chlorine diatomic anion cl2-  
755 Cl2+ chlorine diatomic cation cl2+  
756 BrF Bromine monofluoride brf  
757 BrF- bromine fluoride anion brf-  
758 BrF+ bromine fluoride cation brf+  
759 BrCl- bromine chloride anion brcl-  
760 BrCl+ bromine chloride cation brcl+  
761 IF Iodine monofluoride if  
762 Br2 Bromine diatomic br2  
763 Br2- bromine diatomic anion br2-  
764 Br2+ bromine diatomic cation br2+  
765 ICl Iodine monochloride icl  
766 IBr Iodine monobromide ibr  
767 I2 Iodine diatomic i2  
768 I2+ Iodine diatomic cation i2+  
769 HCF Fluoromethylene hcf  
770 HCCl Chloromethylene hccl  
771 HSiF fluorosilylene hsif  
772 HSiCl Chlorosilylene hsicl  
773 HSiBr monobromosilylene hsibr  
774 CHBr bromomethylene chbr  
775 HOF Hypofluorous acid hfo  
776 DOCl Hypochlorous acid-d docl  
777 HOCl hypochlorous acid hocl  
778 HOCl+ hypochlorous acid cation hocl+  
779 HOBr Hypobromous acid hobr  
780 HOBr+ Hypobromous acid cation hobr+  
781 HOI Hypoiodous acid hoi  
782 F2H+ Fluorine, protonated f2h+  
783 FHF Hydrogen difluoride fhf  
784 FHF- Hydrogen difluoride anion fhf-  
785 ClFH+ Chlorine fluoride, F-protonated clfh+  
786 FClH+ Chlorine fluoride, Cl-protonated fclh+  
787 Cl2H+ Chlorine, protonated cl2h+  
788 CH2Br bromomethyl radical ch2br  
789 CH2F fluoromethyl radical ch2f  
790 CH2F+ fluoromethyl cation ch2f+  
791 CH2Cl+ chloromethyl cation ch2cl+  
792 CH2Cl chloromethyl radical ch2cl  
793 NH2F monofluoroamine nh2f  
794 NH2Cl chloramine nh2cl  
795 H2F2 Hydrogen fluoride dimer h2f2  
796 CH3F+ methyl fluoride cation ch3f+  
797 CD3F methylfluoride-d3 cd3f  
798 CH3F Methyl fluoride ch3f  
799 CD3Cl methyl chloride d3 cd3cl  
800 CH3Cl Methyl chloride ch3cl  
801 CH3Cl+ Methyl chloride cation ch3cl+  
802 SiH3F monofluorosilane sih3f  
803 SiH3Cl chlorosilane sih3cl  
804 CH3Br methyl bromide ch3br  
805 GeH3F monofluorogermane geh3f  
806 GeH3Cl monochlorogermane geh3cl  
807 SiH3Br bromosilane sih3br  
808 CH3I methyl iodide ch3i  
809 SiH3I Silyl Iodide sih3i  
810 NH3Cl+ protonated monochloroammonia nh3cl+  
811 CH3ClH+ methyl chloride, protonated ch3clh+  
812 NH4Cl Ammonium chloride nh4cl  
813 LiNe+ Lithium Neon cation line+  
814 Ne2 Neon diatomic ne2  
815 Ne2+ Neon diatomic cation ne2+  
816 Ar2 Argon diatomic ar2  
817 Ar2+ Argon diatomic cation ar2+  
818 Li3 Lithium trimer li3  
819 Li3+ Lithium trimer cation li3+  
820 C3 carbon trimer c3  
821 C3+ carbon trimer cation c3+  
822 SiC2 Silicon dicarbide sic2  
823 C3H3 cyclopropenyl radical cpr  
824 C3H3 Propargyl radical propargyl  
825 C3H3- Propargyl anion c3h3-  
826 C3H3+ cyclopropenyl cation cpr+  
827 C3H3+ Propargyl cation c3h3+  
828 C3H4 cyclopropene cprop  
829 CH2CCH2 allene allene  
830 CH3CCH propyne propyne  
831 C3H5 Allyl radical allyl  
832 C3H5+ Allyl cation allyl+  
833 CH3CHCH 1-propenyl radical ch3chch  
834 Zn(CH3)2 dimethyl zinc dmz  
835 C3H6 Cyclopropane c3h6  
836 CH2CHCH3 Propene propene  
837 C3H7 n-Propyl radical npropyl  
838 C3H7+ cyclopropane, protonated c3h7+  
839 CH3CHCH3 Isopropyl radical isopropyl  
840 CH3CHCH3+ Isopropyl cation prop2yl+  
841 C3H8 Propane propane  
842 SiH2(CH3)2 dimethylsilane dms  
843 Si3H8 trisilane si3h8  
844 LiCN lithium cyanide licn  
845 NaCN Sodium Cyanide nacn  
846 KCN Potassium cyanide kcn  
847 CuCN Copper cyanide cucn  
848 ZnCN Zinc monocyanide zncn  
849 ZnNC Zinc isocyanide znnc  
850 AlCN Aluminum monocyanide alcn  
851 AlNC Aluminum isocyanide alnc  
852 CN2 3H-Diazirin-3-ylidene cn2  
853 CNN Diazocarbene cnn  
854 NCN Cyanoimidogen ncn  
855 N3 azide radical n3  
856 N3- azide anion n3-  
857 N3+ azide cation n3+  
858 HCCN cyanomethylene hccn  
859 HCNN diazomethyl radical hcnn  
860 HN3 hydrogen azide hn3  
861 HN3+ Hydrazoic acid cation hn3+  
862 HNCNH diiminomethane hncnh  
863 CH2N2 diazirine ch2n2  
864 CH2NN diazomethane ch2nn  
865 NH2CN cyanamide cyanamide  
866 HNNNH+ 1,2-Triazadienium n2h3+  
867 NH2NN+ hydrazoic acid, protonated nh2nn+  
868 CH3CN Acetonitrile ch3cn  
869 CH3CN- acetonitrile anion ch3cn-  
870 CH3CN+ Acetonitrile cation ch3cn+  
871 CH3NC methyl isocyanide ch3nc  
872 CHNCH2 2H-Azirine c157164  
873 CHNHCH 1H-Azirine chnhch  
874 H2CCNH Ethenimine ch2cnh  
875 H2CNCH methyleneaminomethylene ch2nch  
876 HCCNH2 Ethynamine hccnh2  
877 HCNCH2+ 2H-Azirine cation hcnch2+  
878 HNCNH2+ diiminomethane, protonated hncnh2+  
879 NCNH3+ Cyanamide, protonated ncnh3+  
880 NH2CNH+ cyanamide, cn protonated nh2cnh+  
881 NH3CN+ cyanamide, amine protonated nh3cn+  
882 CH2CHNH vinylazine ch2chnh  
883 CH3CHN methylmethaniminyl radical ch3chn  
884 NHCHNH2 aminomethanimine cn2h4  
885 C2H5N Aziridine c2h5n  
886 CH2CHNH2 aminoethene aminoethene  
887 CH2NCH3 N-methylmethanimine nmm  
888 CH3CHNH ethanimine ethanimine  
889 NH2BHNH2 diaminoborane nh2bhnh2  
890 C2H5NH+ Protonated Aziridine c2h5nh+  
891 C2H6N+ aziridine, protonated c2h6n+  
892 NH2CH2NH2 diaminomethane nh2ch2nh2  
893 CH3CH2NH2 Ethylamine etam  
894 CH3NHCH3 Dimethylamine ch3nhch3  
895 CH3PHCH3 dimethylphosphine ch3phch3  
896 NH2CH2NH3+ diaminoethane, protonated pdam  
897 (CH3)2NH2+ dimethylammonium cation dmam  
898 CH3CH2NH3+ ethylamine, protonated pea  
899 Li2O dilithium oxide li2o  
900 Li2O+ dilithium oxide cation li2o+  
901 Li2S dilithium sulfide li2s  
902 Na2O disodium monoxide na2o  
903 Na2S Sodium sulfide na2s  
904 LiO2 Lithium dioxide lio2  
905 NaO2 Sodium superoxide nao2  
906 CCO Dicarbon monoxide cco  
907 CNO- fulminate cno-  
908 NCO isocyanato radical nco  
909 NCO- cyanate nco-  
910 SCN thiocyanato radical scn  
911 SCN- thiocyanide anion scn-  
912 BO2 Boron dioxide bo2  
913 BO2- Boron dioxide anion bo2-  
914 BO2+ Boron dioxide cation bo2+  
915 N2O Nitrous oxide n2o  
916 N2O- Nitrous oxide anion n2o-  
917 N2O+ Nitrous oxide cation n2o+  
918 NNS Nitrogen sulfide nns  
919 PPO Phosphorus oxide phosphide ppo  
920 CO2 Carbon dioxide co2  
921 CO2- Carbon dioxide anion co2-  
922 CO2+ Carbon dioxide cation co2+  
923 OCS Carbonyl sulfide cos  
924 OCS+ Carbonyl sulfide cation cos+  
925 SiO2 silicon dioxide sio2  
926 CS2 Carbon disulfide cs2  
927 CS2- Carbon disulfide anion cs2-  
928 CS2+ Carbon disulfide cation cs2+  
929 TiO2 Titanium dioxide tio2  
930 SiS2 Silicon disulfide sis2  
931 GeO2 Germanium dioxide geo2  
932 OCSe Carbonyl selenide ocse  
933 SCSe Carbon sulfide selenide scse  
934 GeS2 Germanium disulfide ges2  
935 CSe2 Carbon diselenide cse2  
936 SCTe Carbon sulfide Telluride scte  
937 NO2 Nitrogen dioxide no2  
938 NO2- Nitrogen dioxide anion no2-  
939 NO2+ Nitrogen dioxide cation no2+  
940 NSO sulfinyl amidogen NSO  
941 PO2 Phosphorus dioxide po2  
942 PO2- Phosphorus dioxide anion po2-  
943 PO2+ Phosphorus dioxide cation po2+  
944 SNO Nitrogen oxide sulfide sno  
945 AsO2 Aresenic dioxide aso2  
946 O3 Ozone o3  
947 O3- Ozone anion o3-  
948 O3+ Ozone cation o3+  
949 SO2 Sulfur dioxide so2  
950 SO2- Sulfur dioxide anion so2-  
951 SO2+ Sulfur dioxide cation so2+  
952 SSO Disulfur monoxide sso  
953 S3 Sulfur trimer s3  
954 S3- Sulfur trimer anion s3-  
955 S3+ Sulfur trimer cation s3+  
956 SeO2 Selenium dioxide seo2  
957 SeO2+ Selenium dioxide cation seo2+  
958 TeO2 Tellurium Dioxide teo2  
959 HCCO ketenyl radical ketenyl  
960 CS2H+ Carbon disulfide, protonated cs2h+  
961 HCNO fulminic acid hcno  
962 HNCO Isocyanic acid hnco  
963 HOCN cyanic acid hocn  
964 HNCS Isothiocyanic acid hncs  
965 HSCN thiocyanic acid hscn  
966 HCO2- formate anion hco2-  
967 HNNO nitrosoazane hnno  
968 HNNO+ Nitrous oxide, N-protonated hnno+  
969 NNOH+ Nitrous Oxide, O-protonated nnoh+  
970 HCOO formate neutral radical hcoo  
971 HOCO Hydrocarboxyl radical hoco  
972 HOCO+ Hydrocarboxyl cation hoco+  
973 HNO2 Nitrous acid hno2  
974 HNO2+ nitrous acid cation hno2+  
975 O3H+ protonated ozone o3h+  
976 SO2H+ protonated sulfur dioxide so2h+  
977 C2H2O Oxirene oxirene  
978 CH2CO Ketene ch2co  
979 CH2CO+ Ketene cation ch2co+  
980 HCCOH ethynol hccoh  
981 CH2CS Thioketene ch2cs  
982 Be(OH)2 Beryllium hydroxide beo2h2  
983 Mg(OH)2 Magnesium dihydroxide h2mgo2  
984 NH2NO Nitrosamide nh2no  
985 CH2O2 Dioxirane diox  
986 H2COO Dioxymethyl radical h2coo  
987 H2COO+ dioxymethyl cation h2coo+  
988 HCOOH Formic acid ch2o2  
989 H2O3 Hydrogen trioxide h2o3  
990 HSSSH trisulfane hsssh  
991 NaOCH3 Sodium methoxide naoch3  
992 CH2BOH hydroxy(methylene)borane ch2boh  
993 BH3CO Borane carbonyl bh3co  
994 CH3BO Borane, methyloxo- ch3bo  
995 CH2CHO Vinyloxy radical ch2cho  
996 CH2COH+ ketene, protonated ch2coh+  
997 CH3CO Acetyl radical ch3co  
998 CH3CO- Acetyl anion ch3co-  
999 CH3CO+ acetyl cation ch3co+  
1000 CH2NOH formaldoxime ch2noh  
1001 CH3NO nitrosomethane ch3no  
1002 CHONH2 formamide formamide  
1003 CNOH3 1,2-oxaziridine cnoh3  
1004 HOCHNH hydroxymethylimine hochnh  
1005 CHSNH2 thioformamide chsnh2  
1006 NHCHSH Methanimidothioic acid nhchsh  
1007 CH2OOH CH2OOH radical ch2ooh  
1008 CH3OO methylperoxy radical ch3oo  
1009 CH3OO- methylperoxy anion ch3oo-  
1010 CH3OO+ methylperoxy cation ch3oo+  
1011 C2H4O Ethylene oxide c2h4o  
1012 C2H4O+ ethylene oxide cation c2h4o+  
1013 CH2CHOH ethenol ch2choh  
1014 CH3CHO Acetaldehyde ch3cho  
1015 CH3CHO+ acetaldehyde cation ch3cho+  
1016 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
1017 C2H4S Thiirane thiirane  
1018 CH2CHSH Ethenethiol ch2chsh  
1019 CH3CHS Thioacetaldehyde ch3chs  
1020 H2CONH2+ protonated formamide h2conh2+  
1021 NH2CHOH+ Formamide, O-protonated nh2choh+  
1022 NH3CHO+ Formamide, N-Protonated nh3cho+  
1023 CH2(OH)2 methanediol ch2o2h2  
1024 CH3OOH Methyl peroxide ch3ooh  
1025 CH3SSH Hydrogen methyl disulfide ch3ssh  
1026 HSCH2SH Methanedithiol ch4s2  
1027 H2OH2CO water formaldehyde dimer h2oh2co  
1028 C2H4OH+ ethylene oxide, protonated c2h4oh+  
1029 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1030 CH3CH2O Ethoxy radical ethoxy  
1031 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1032 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1033 CH3OCH2 methoxymethyl radical ch3och2  
1034 NH2CH2OH aminomethanol nh2ch2oh  
1035 CH3CH2OH Ethanol etoh  
1036 CH3OCH3 Dimethyl ether meome  
1037 CH3CH2SH ethanethiol etsh  
1038 CH3SCH3 Dimethyl sulfide mesme  
1039 CH3SCH3+ dimethyl sulfide cation mesme+  
1040 CH3SeCH3 dimethylselenide dmse  
1041 CH3OHH2O methanol water dimer ch3ohh2o  
1042 H2OCH3OH water methanol dimer h2och3oh  
1043 CuF2 Copper difluoride cuf2  
1044 CNF iso cyanogen fluoride cnf  
1045 FCN Cyanogen fluoride fcn  
1046 ClCN chlorocyanogen clcn  
1047 BrCN Cyanogen bromide brcn  
1048 ICN Cyanogen iodide icn  
1049 FBO Boron monofluoride monoxide fbo  
1050 BeF2 Beryllium fluoride bef2  
1051 MgF2 Magnesium fluoride mgf2  
1052 BeCl2 Beryllium chloride becl2  
1053 MgCl2 Magnesium dichloride mgcl2  
1054 CaCl2 Calcium Chloride cacl2  
1055 BeBr2 Beryllium bromide bebr2  
1056 CaBr2 Calcium dibromide cabr2  
1057 CaF2 Calcium difluoride caf2  
1058 FCO Carbonyl fluoride fco  
1059 FCO+ Carbonyl fluoride cation fco+  
1060 ClCO carbonyl monochloride clco  
1061 BF2 Boron difluoride radical bf2  
1062 FNO Nitrosyl fluoride fno  
1063 ClNO Nitrosyl chloride clno  
1064 FNS Thionitrosyl fluoride fns  
1065 FSN Thiazyl fluoride fsn  
1066 OPCl Phosphorus oxychloride opcl  
1067 BrNO Nitrosyl bromide brno  
1068 INO Nitrosyl iodide ino  
1069 CF2 Difluoromethylene cf2  
1070 CF2- Difluoromethylene anion cf2-  
1071 CF2+ Difluoromethylene cation cf2+  
1072 CFCl chlorofluoromethylene cfcl  
1073 SiF2 Silicon difluoride sif2  
1074 SiF2+ Silicon difluoride cation sif2+  
1075 CCl2 dichloromethylene ccl2  
1076 CCl2- dichloromethylene anion ccl2-  
1077 CCl2+ dichloromethylene cation ccl2+  
1078 SiCl2 Dichlorosilylene sicl2  
1079 GeF2 Germanium difluoride gef2  
1080 GeCl2 Germanium dichloride gecl2  
1081 CBr2 dibromomethylene cbr2  
1082 FOO Dioxygen monofluoride radical foo  
1083 FOO+ Fluorine dioxide cation foo+  
1084 ClOO chloroperoxy radical cloo  
1085 ClOO+ chloroperoxy cation cloo+  
1086 OClO Chlorine dioxide oclo  
1087 OClO- Chlorine dioxide anion oclo-  
1088 OClO+ Chlorine dioxide cation oclo+  
1089 ClSO Sulfur chloride oxide clso  
1090 ClS2 Sulfur chloride cls2  
1091 BrOO Bromine dioxide broo  
1092 OBrO Bromine dioxide radical obro  
1093 NF2 Difluoroamino radical nf2  
1094 NF2+ Difluoroamino cation nf2+  
1095 PF2 Phosphorus difluoride pf2  
1096 PF2+ Phosphorus difluoride cation pf2+  
1097 FClO chlorosyl fluoride fclo  
1098 F2O Difluorine monoxide f2o  
1099 ClOF Chlorine hypofluorite clof  
1100 SF2 sulfur difluoride sf2  
1101 SF2- sulfur difluoride anion sf2-  
1102 SF2+ sulfur difluoride cation sf2+  
1103 Cl2O Dichlorine monoxide cl2o  
1104 SCl2 Sulfur dichloride scl2  
1105 SeF2 Selenium difluoride sef2  
1106 BrOCl Bromine hypochlorite brocl  
1107 SeCl2 Selenium Dichloride secl2  
1108 SBr2 Sulfur dibromide sbr2  
1109 SeBr2 Selenium dibromide sebr2  
1110 BrOBr Bromine oxide brobr  
1111 F3- trifluoride anion f3-  
1112 Cl3- trichloride anion cl3-  
1113 Br3- tribromide anion br3-  
1114 I3- triiodide i3-  
1115 SFCl Sulfur chloride fluoride sfcl  
1116 HCCF Fluoroacetylene hccf  
1117 HCCF+ fluoroacetylene cation hccf+  
1118 HCCCl Chloroacetylene hcccl  
1119 HCCBr bromoacetylene hccbr  
1120 HFCO formyl fluoride hfco  
1121 HFCO+ formyl fluoride cation hfco+  
1122 COHCl Formyl chloride cohcl  
1123 COHBr Formyl bromide cohbr  
1124 BHF2 Difluoroborane bhf2  
1125 BHCl2 Borane, dichloro- bhcl2  
1126 CHCl2 dichloromethyl radical chcl2  
1127 CHF2 difluoromethyl radical chf2  
1128 CHF2+ difluoromethyl cation chf2+  
1129 CHFCl Chlorofluoromethyl radical chfcl  
1130 CHFCl+ Chlorofluoromethyl cation chfcl+  
1131 CHCl2+ dichloromethyl cation chcl2+  
1132 CHBr2 dibromomethyl radical chbr2  
1133 HOClO Chlorous acid hoclo  
1134 NHF2 difluoramine nhf2  
1135 NHCl2 dichloroamine nhcl2  
1136 CH2F2 Methane, difluoro- ch2f2  
1137 CH2FCl fluorochloromethane ch2fcl  
1138 SiH2F2 difluorosilane sih2f2  
1139 CH2Cl2 Methylene chloride ch2cl2  
1140 CH2BrF Methane, bromofluoro- ch2fbr  
1141 CH2BrCl Methane, bromochloro- ch2clbr  
1142 CH2FI fluoroiodomethane ch2fi  
1143 CH2Br2 dibromomethane ch2br2  
1144 CH2ClI chloroiodomethane ch2cli  
1145 CH2BrI bromoiodomethane ch2bri  
1146 CH2I2 Diiodomethane ch2i2  
1147 SiH2Cl2 dichlorosilane sih2cl2  
1148 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1149 CH2CHF Ethene, fluoro- ch2chf  
1150 CH2CHF+ fluoroethene cation ch2chf+  
1151 C2H3Cl Ethene, chloro- ch2chcl  
1152 C2H3Br vinyl bromide c2h3br  
1153 C2H3I Vinyl iodide c2h3i  
1154 CH2FOH fluoromethanol ch2foh  
1155 CH3OCl methyl hypochlorite ch3ocl  
1156 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1157 CHClCH3 1-chloroethyl radical chclch3  
1158 C2H5F fluoroethane c2h5f  
1159 CH3CH2Cl Ethyl chloride c2h5cl  
1160 CH3SiFH2 fluoromethylsilane ch3sifh2  
1161 C2H5Br Ethyl bromide etbr  
1162 C2H5I Ethyl iodide c2h5i  
1163 KrF2 Krypton difluoride krf2  
1164 XeF2 Xenon difluoride xef2  
1165 B4H10 Tetraborane(10) b4h10  
1166 C4 Carbon tetramer c4  
1167 C4+ Carbon tetramer cation c4+  
1168 C4H2 Diacetylene c4h2  
1169 C4H2+ diacetlyene cation c4h2+  
1170 C2H3CCH 1-Buten-3-yne c2h3cch  
1171 C4H4 cyclobutadiene cbd  
1172 C4H4 Tetrahedrane c4h4  
1173 H2CCCCH2 Butatriene h2cccch2  
1174 C4H6 1-Methylcyclopropene c3100047  
1175 C4H6 Cyclobutene c822355  
1176 C4H6 Methylenecyclopropane c6142730  
1177 CH2CCHCH3 1,2-Butadiene butad12  
1178 CH2CHCHCH2 1,3-Butadiene c106990  
1179 CH3CCCH3 2-Butyne c503173  
1180 CHCCH2CH3 1-Butyne c107006  
1181 CH3CHCHCH2 methylallyl radical c4h7  
1182 C4H8 methylcyclopropane mcp  
1183 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1184 CH2CHCH2CH3 1-Butene bute1  
1185 CH3CHCHCH3 2-Butene, (E)- bute2e  
1186 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1187 B(CH3)3 trimethylborane bme3  
1188 Al(CH3)3 trimethyl aluminum tma  
1189 C(CH3)3 Tert-butyl radical tbutyl  
1190 CH2CH(CH3)2 Isobutyl radical isobutyl  
1191 CH3CHCH2CH3 2-Butyl radical butyl2  
1192 CH3CH(CH3)CH3 Isobutane isobutane  
1193 CH3CH2CH2CH3 Butane butane  
1194 SiH(CH3)3 trimethylsilane trimsi  
1195 Li3N trilithium nitride li3n  
1196 C2N2 Cyanogen c2n2  
1197 C2N2+ Cyanogen cation c2n2+  
1198 P4 Phosphorus tetramer p4  
1199 As4 Arsenic tetramer as4  
1200 HCCCN Cyanoacetylene hcccn  
1201 HCCCN+ Cyanoacetylene cation hcccn+  
1202 H2CNCN cyanamide, methylene ch2ncn  
1203 HNCCNH Ethenediimine hnccnh  
1204 C3H3N acrylonitrile ch2chcn  
1205 C3H3N+ acrylonitrile cation ch2chcn+  
1206 CH3N3 methyl azide ch3n3  
1207 NH2CCNH2 Diaminoacetylene daa  
1208 NH2CH2CN Aminoacetonitrile aan  
1209 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1210 C2H5CN ethyl cyanide c2h5cn  
1211 CH5N3 Guanidine guanidine  
1212 C4H6 Bicyclo[1.1.0]butane c157335  
1213 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1214 H2NCHCHNH2 diaminoethylene dae  
1215 CH6N3+ guanidinium ch6n3+  
1216 C3H7N Cyclopropylamine cpram  
1217 CH7N3 triaminomethane tam  
1218 C3H7N Azetidine azet  
1219 C4H8 cyclobutane cbutane  
1220 C2H8N2 Ethylenediamine ethdiam  
1221 CH3NHNHCH3 dimethyl hydrazine dmh  
1222 CH3CH(NH2)CH3 2-Propanamine pram2  
1223 N(CH3)3 Trimethylamine trimeam  
1224 NH2CH2CH2CH3 1-Propanamine pram1  
1225 P(CH3)3 trimethylphosphine tmp  
1226 N(SiH3)3 trisilylamine tsa  
1227 As(CH3)3 trimethyl arsine tmas  
1228 (CH3)3NH+ protonated trimethyl amine ptma  
1229 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1230 Li2O2 dilithium dioxide li2o2  
1231 Na2O2 disodium dioxide na2o2  
1232 K2O2 dipotassium dioxide k2o2  
1233 C3O Tricarbon monoxide c3o  
1234 B2O2 Diboron dioxide b2o2  
1235 ONNO NO dimer onno  
1236 S2N2 Disulfur dinitride s2n2  
1237 CO3 Carbon trioxide co3  
1238 CO3-- carbonate co3--  
1239 CS3-- Carbonotrithioate cs3--  
1240 NO3 Nitrogen trioxide no3  
1241 NO3- nitrate anion no3-  
1242 NO3+ nitrogen trioxide cation no3+  
1243 SO3 Sulfur trioxide so3  
1244 SO3- Sulfur trioxide anion so3-  
1245 SO3-- Sulfate dianion so3--  
1246 SO3+ Sulfur trioxide cation so3+  
1247 SeO3 selenium trioxide seo3  
1248 S4 Sulfur tetramer s4  
1249 TeO3 Tellurium trioxide teo3  
1250 HCO3- bicarbonate anion hco3-  
1251 HNO3 Nitric acid hno3  
1252 HSO3 Hydroxysulfonyl radical hso3  
1253 NH2NO2 nitramide nh2no2  
1254 C2H2CO cyclopropenone c2h2co  
1255 C3H2O Propadienal c3h2o  
1256 HCCCHO 2-propynal hcccho  
1257 C2H2O2 Ethanedial c2h2o2  
1258 C2H2O2+ Ethanedial cation c2h2o2+  
1259 H2CO3 Carbonic acid h2co3  
1260 H2CS3 thiocarbonic acid h2cs3  
1261 H2NO3+ Nitric Acid, Protonated h2no3+  
1262 H2SO3 Sulfurous acid h2so3  
1263 C2H3NO Nitrosoethylene c2h3no  
1264 CH3NCO methylisocyante ch3nco  
1265 HOCH2CN cyanomethanol hoch2cn  
1266 CH3COO- acetate anion ch3coo-  
1267 CH3NO2 Methane, nitro- ch3no2  
1268 CH3ONO Methyl nitrite ch3ono  
1269 NH2COOH Carbamic acid nh2cooh  
1270 H3BO3 Boric acid h3bo3  
1271 H3AlO3 Aluminum hydroxide h3alo3  
1272 H3CO3+ carbonic acid, protonated h3co3+  
1273 C3H4O 2-Propyn-1-ol c107197  
1274 C3H4O allenol c9000071  
1275 C3H4O Cyclopropanone cpone  
1276 C3H4O Methylketene c6004440  
1277 CH2CHCHO Acrolein c3h4o  
1278 NH2CONH2 Urea urea  
1279 NH2CONH2+ Urea cation urea+  
1280 NH2CSNH2 Thiourea thiourea  
1281 C2H4O2 1,3-dioxetane c2h4o2  
1282 CH3COOH Acetic acid ch3cooh  
1283 CH3OCHO methyl formate ch3ocho  
1284 CHOCH2OH hydroxy acetaldehyde haa  
1285 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1286 NH3COOH+ protonated Carbamic acid nh3cooh+  
1287 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1288 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1289 HCOOHH2O Formic acid water dimer hcoohh2o  
1290 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1291 CH3COCH2 Acetonyl radical ch3coch2  
1292 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1293 CH3C(OH)=NH Ethaninidic acid eia  
1294 CH3CHNOH Acetaldoxime acetaldoxime  
1295 CH3CONH2 Acetamide acetamide  
1296 HCONHCH3 N-methylformamide nmfa  
1297 CH3CSNH2 Ethanethioamide ch3csnh2  
1298 CH5N2O+ urea, N-protonated ch4n2o+  
1299 H2NCOHNH2+ urea, protonated ureah+  
1300 C2H5OO ethylperoxy radical c2h5oo  
1301 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1302 C3H5OH Cyclopropanol cproh  
1303 C3H6O 2-Propen-1-ol c107186  
1304 C3H6O Acetone enol enol  
1305 C3H6O Oxetane oxetane  
1306 C3H6O Propylene oxide prox  
1307 CH3CH2CHO Propanal propanal  
1308 CH3COCH3 Acetone acetone  
1309 CH3COCH3- acetone anion ch3coch3-  
1310 C3H6S Thietane thietane  
1311 C3H6S Thiirane, methyl- methiirane  
1312 CH3CSCH3 Thioacetone ch3csch3  
1313 C2H6O2 1,2-Ethanediol ethdiol  
1314 CH3OOCH3 dimethylperoxide dmp  
1315 CH3SOCH3 Dimethyl sulfoxide dmso  
1316 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1317 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1318 CH3COHCH3+ acetone, protonated acetoneh+  
1319 HOCH2CH2NH2 monoethanolamine mea  
1320 C3H7OH 1-Propanol proh  
1321 CH3CHOHCH3 Isopropyl alcohol isoproh  
1322 CH3OC2H5 Ethane, methoxy- etome  
1323 C3H7SH 1-Propanethiol prsh  
1324 CH3CHSHCH3 2-Propanethiol isoprsh  
1325 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1326 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1327 Li2F2 Lithium fluoride dimer li2f2  
1328 Na2F2 Sodium Fluoride Dimer na2f2  
1329 Na2Cl2 Disodium dichloride na2cl2  
1330 C2F2 difluoroacetylene c2f2  
1331 C2Cl2 dichloroacetylene c2cl2  
1332 C2Cl2+ dichloroacetylene cation c2cl2+  
1333 FNO2 Nitryl fluoride fno2  
1334 FONO Nitrosyl hypofluorite fono  
1335 ClNO2 Nitryl chloride clno2  
1336 ClONO chlorine nitrite clono  
1337 BrONO Bromine nitrite brono  
1338 N2F2 (Z)-Difluorodiazene n2f2_z  
1339 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1340 CF2O Carbonic difluoride f2co  
1341 CF2O+ Carbonic difluoride cation f2co+  
1342 COFCl Carbonic chloride fluoride cofcl  
1343 CCl2O Phosgene cl2co  
1344 Cl2CS Thiophosgene cl2cs  
1345 COBr2 Carbonic dibromide cobr2  
1346 BF3 Borane, trifluoro- bf3  
1347 BF3- Borane, trifluoro- anion bf3-  
1348 BF3+ boron trifluoride cation bf3+  
1349 AlF3 Aluminum trifluoride alf3  
1350 BClF2 Chlorodifluoroborane bclf2  
1351 AlF2Cl Aluminum chloride difluoride alclf2  
1352 ScF3 Scandium trifluoride ScF3  
1353 AlFCl2 Aluminum dichloride fluoride alcl2f  
1354 BCl3 Borane, trichloro- bcl3  
1355 BCl3+ Boron Trichloride cation bcl3+  
1356 GaF3 Gallium trifluoride gaf3  
1357 AlCl3 Aluminum trichloride alcl3  
1358 GaCl3 Gallium trichloride gacl3  
1359 BBr3 Boron tribromide bbr3  
1360 AlBr3 Aluminum Bromide albr3  
1361 ClO3 Chlorine trioxide clo3  
1362 ClO3- chlorate anion clo3-  
1363 BrO3- Bromate anion bro3-  
1364 CF3 Trifluoromethyl radical cf3  
1365 CF3- Trifluoromethyl anion cf3-  
1366 CF3+ Trifluoromethyl cation cf3+  
1367 CF2Cl difluorochloromethyl radical cf2cl  
1368 SiF3 Silicon trifluoride radical sif3  
1369 SiF3+ Silicon trifluoride cation sif3+  
1370 CFCl2 dichlorofluoromethyl radical cfcl2  
1371 CCl3 Trichloromethyl radical ccl3  
1372 CCl3- Trichloromethyl anion ccl3-  
1373 CCl3+ Trichloromethyl cation ccl3+  
1374 SiCl3 trichlorosilyl radical sicl3  
1375 SiCl3+ trichlorosilyl cation sicl3+  
1376 CBr3 tribromomethyl radical cbr3  
1377 FOOF Perfluoroperoxide foof  
1378 ClO2F Chloryl fluoride clo2f  
1379 F2SO Thionyl Fluoride f2so  
1380 ClOOCl Dichlorine dioxide cloocl  
1381 FSSF Difluorodisulfane fssf  
1382 S2F2 Thio-thionyl fluoride s2f2  
1383 SOCl2 thionyl chloride socl2  
1384 SSCl2 Thiothionyl chloride sscl2  
1385 SeOCl2 selenium oxychloride seocl2  
1386 NF3 Nitrogen trifluoride nf3  
1387 NF3- Nitrogen trifluoride anion nf3-  
1388 NF3+ Nitrogen trifluoride cation nf3+  
1389 PF3 Phosphorus trifluoride pf3  
1390 NCl3 nitrogen trichloride ncl3  
1391 AsF3 Arsenic trifluoride asf3  
1392 PCl3 Phosphorus trichloride pcl3  
1393 SbF3 Antimony Trifluoride sbf3  
1394 AsCl3 Arsenous trichloride ascl3  
1395 SbCl3 Antimony Trichloride sbcl3  
1396 NBr3 Nitrogen Tribromide nbr3  
1397 PBr3 Phosphorus tribromide pbr3  
1398 AsBr3 Arsenic tribromide asbr3  
1399 NI3 Nitrogen triiodide ni3  
1400 PI3 Phosphorus triiodide pi3  
1401 ClSSCl Disulfur dichloride s2cl2  
1402 SF3 Sulfur trifluoride sf3  
1403 ClF3 Chlorine trifluoride clf3  
1404 BrF3 Bromine trifluoride brf3  
1405 IF3 iodone trifluoride if3  
1406 HClO3 Chloric Acid hclo3  
1407 CHF3 Methane, trifluoro- chf3  
1408 CHF2Cl difluorochloromethane chf2cl  
1409 SiHF3 trifluorosilane sihf3  
1410 CHFCl2 fluorodichloromethane chfcl2  
1411 CDCl3 trichloromethane-d cdcl3  
1412 CHCl3 Chloroform chcl3  
1413 CHBrF2 Methane, bromodifluoro- chbrf2  
1414 SiHCl3 Trichlorosilane sihcl3  
1415 CHFClBr fluorochlorobromomethane chfclbr  
1416 CHBrCl2 Methane, bromodichloro- chbrcl2  
1417 CHF2I difluoroiodomethane chf2i  
1418 CHBr2F dibromofluoromethane chbr2f  
1419 CHFClI fluorochloroiodomethane chfcli  
1420 CHCl2I dichloroiodomethane chcl2i  
1421 CHClBr2 Methane, dibromochloro- chclbr2  
1422 CHBr3 bromoform chbr3  
1423 CHI3 Iodoform chi3  
1424 NF3H+ protonated nitrogen trifluoride nf3h+  
1425 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1426 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1427 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1428 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1429 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1430 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1431 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1432 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1433 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1434 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1435 C2H2Br2 1,1-dibromoethene c2h2br2  
1436 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1437 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1438 CH2FCHO Fluoroacetaldehyde ch2fcho  
1439 CH3COF Acetyl fluoride ch3cof  
1440 CH2ClCHO chloroacetaldehyde ch2clcho  
1441 CH3COCl Acetyl Chloride ch3cocl  
1442 C2H4F2 1,2-difluoroethane c2h4f2  
1443 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1444 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1445 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1446 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1447 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1448 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1449 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1450 CH2CFCH3 2-fluoropropene 2fpro  
1451 CH2CHCH2F Allyl Fluoride allylf  
1452 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1453 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1454 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1455 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1456 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1457 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1458 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1459 CH2FCH2CH3 1-Fluoropropane prf1  
1460 CH3CHFCH3 2-Fluoropropane prf2  
1461 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1462 CH3CHClCH3 Propane, 2-chloro- prcl2  
1463 CH3CH2CH2Br n-propyl bromide prbr  
1464 CH3CHBrCH3 i-propyl bromide iprbr  
1465 C3H9O+ trimethyl oxonium cation c3h9o+  
1466 B5H9 pentaborane9 b5h9  
1467 C5H4 pentatetraene ptrene  
1468 C5H5 cyclopentadienyl radical c5h5  
1469 C5H5- cylopentadienyl anion c5h5-  
1470 C5H6 1,3-Cyclopentadiene c542927  
1471 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1472 C5H6 3-Penten-1-yne, (E)- c2004695  
1473 C5H6 3-Penten-1-yne, (Z)- c1574409  
1474 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1475 C5H6 Cyclopropylacetylene c6746947  
1476 C5H6 Propellane propellane  
1477 C5H7 1,3-pentadienyl radical pdyl  
1478 C5H7 cyclopentenyl radical cpyl  
1479 C5H8 1,2-Butadiene, 3-methyl- c598254  
1480 C5H8 1,2-Pentadiene c591957  
1481 C5H8 1,3-Butadiene, 2-methyl- c78795  
1482 C5H8 1,3-Pentadiene, (E)- c2004708  
1483 C5H8 1,3-Pentadiene, (Z)- c1574410  
1484 C5H8 1,4-Pentadiene c591935  
1485 C5H8 1-pentyne a1pentyne  
1486 C5H8 2,3-Pentadiene c591968  
1487 C5H8 Bicyclo[1.1.1]pentane bcp  
1488 C5H8 Cyclobutane, methylene- c1120565  
1489 C5H8 Cyclopentene c142290  
1490 C5H8 Ethenylcyclopropane c693867  
1491 CH3CCCH2CH3 2-Pentyne 2pentyne  
1492 C5H10 1-Butene, 2-methyl- c563462  
1493 C5H10 2-Butene, 2-methyl- c513359  
1494 C5H10 2-Pentene, (E)- c646048  
1495 C5H10 2-Pentene, (Z)- c627203  
1496 C5H10 Cyclopentane c287923  
1497 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1498 CH2CHCH2CH2CH3 1-pentene pentene  
1499 C5H11 2-Methylbut-2-yl radical c4348350  
1500 C5H12 Butane, 2-methyl- buta2  
1501 C5H12 Pentane pentane  
1502 C5H12 Propane, 2,2-dimethyl- neopentane  
1503 Si(CH3)4 tetramethylsilane tms  
1504 N2O3 Dinitrogen trioxide n2o3  
1505 C3H2N2 Malononitrile c3h2n2  
1506 CH2N4 1H-Tetrazole 1htz  
1507 C3H3N2 imidazolyl radical im  
1508 C3H3N2- imidizolyl anion im-  
1509 C2H3N3 1H-1,2,4-Triazole c288880  
1510 C4H4N pyrrolide radical c4h4n  
1511 C4H4N- pyrrolide anion c4h4n-  
1512 C3H4N2 1H-Imidazole 1himidaz  
1513 C3H4N2 1H-Pyrazole 1hpyraz  
1514 C3H4N2 2H-Imidazole imid2h  
1515 C3H4N2 4H-Imidazole imid4h  
1516 C4H5N (E)-2-Butenenitrile c627269  
1517 C4H5N (Z)-2-Butenenitrile c1190767  
1518 C4H5N 2H-pyrrole pyrrole2  
1519 C4H5N 3H-pyrrole pyrrole3  
1520 C4H5N Cyclopropanecarbonitrile c5500210  
1521 C4H5N Pyrrole pyrrole  
1522 CH2CHCH2CN Allylcyanide ch2chch2cn  
1523 C4H6N+ pyrrole, alpha-protonated appyr  
1524 C4H6N+ pyrrole, beta-protonated bppyr  
1525 C4H6N+ pyrrole, protonated ppyr  
1526 C3H6N2 3-Aminopropionitrile c151188  
1527 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1528 CH3CH2CH2CN Butanenitrile c109740  
1529 C5H8 Bicyclo[2.1.0]pentane c185944  
1530 C5H8 Spiropentane c157404  
1531 C4H9N Cyclobutylamine cbam  
1532 C4H9N Pyrrolidine pyrrolidine  
1533 C3H10N2 1,2-Diaminopropane diampr12  
1534 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1535 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1536 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1537 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1538 NH(C2H5)2 diethylamine dea  
1539 NC4H12+ tetramethyl ammonium cation nc4h12+  
1540 C3O2 Carbon suboxide c3o2  
1541 C3O2+ Carbon suboxide cation c3o2+  
1542 B2O3 diboron trioxide b2o3  
1543 MgCO3 Magnesium Carbonate mgco3  
1544 BeCO3 Beryllium Carbonate beco3  
1545 CaCO3 Calcium Carbonate caco3  
1546 ONONO Nitrosyl nitrite onono  
1547 PO4--- phosphate po4---  
1548 SO4-- sulfate so4--  
1549 HOONO2 peroxy nitric acid hoono2  
1550 HSO4- bisulfate anion hso4-  
1551 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1552 C3H2O2 Propiolic acid c3h2o2  
1553 CHOCOOH oxo acetic acid oaa  
1554 CHOOCHO diformyl ether choocho  
1555 H2SO4 Sulfuric acid h2so4  
1556 H2SeO4 Selenic acid h2seo4  
1557 C3H3NO Isoxazole isox  
1558 C3H3NO Oxazole oxazole  
1559 C3H3NS Thiazole thiazole  
1560 CH3C(O)OO acetyl peroxy radical ch3coo2  
1561 CH3NO3 Methyl nitrate ch3no3  
1562 H3PO4 Phosphoric Acid h3po4  
1563 C4H4O Furan furan  
1564 C4H4O+ Furan cation furan+  
1565 CH3COCCH 3-butyn-2-one c1423605  
1566 C4H4S Thiophene furans  
1567 C4H4Se selenophene c4h4se  
1568 C3H4O2 β–Propiolactone beta  
1569 C3H4O2 2-Propenoic acid propenoic2  
1570 C3H4O2 Methyl glyoxal megly  
1571 C3H4O2 propanedial propanedial  
1572 C3H4O2 propenalol propenalol  
1573 HOCHCCHOH allenediol aldiol  
1574 C2H4O3 1,2,3-trioxolane c2h4o3  
1575 C2H4O3 trioxolane124 triox  
1576 HOCH2COOH Hydroxyacetic acid hac  
1577 CH2CHCONH2 Acrylamide c79061  
1578 CH3OCH2CN Methoxyacetonitrile c1738369  
1579 CH5N3S Hydrazinecarbothioamide c79196  
1580 H2NCH2COOH Glycine glycine  
1581 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1582 C4H6O cis-2-butenal butenal2c  
1583 C4H6O Cyclobutanone cbutone  
1584 C4H6O Furan, 2,3-dihydro- furan23h  
1585 C4H6O Furan, 2,5-dihydro- furan25h  
1586 CH2CHOCHCH2 Vinyl ether vinylether  
1587 CHOCHCHCH3 2-Butenal butenal2  
1588 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1589 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1590 CH2CHSCHCH2 Divinyl sulfide divis  
1591 C2H6N2O Urea, methyl- c598505  
1592 C3H6O2 1,3-Dioxolane dioxolane  
1593 CH3CH2COOH Propanoic Acid propanoic  
1594 CH3COOCH3 methyl acetate aame  
1595 HCOOC2H5 Ethyl formate faee  
1596 C2H6O2S Dimethyl sulfone c67710  
1597 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1598 C3H7NO dimethylformamide dmf  
1599 C3H7NO Propanamide propanam  
1600 C2H3OC2H5 Ethene, ethoxy- c109922  
1601 C4H8O Cyclobutanol c2919235  
1602 C4H8O Furan, tetrahydro- thf  
1603 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1604 CH3COCH2CH3 2-Butanone buta2one  
1605 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1606 CHOCH2CH2CH3 Butanal butanal  
1607 C4H8S Thiophene, tetrahydro- tht  
1608 C3H8O2 1,3-Propanediol c504632  
1609 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1610 C3H8O2 Methane, dimethoxy- c109875  
1611 C3H8O2 Propylene glycol c57556  
1612 C3H8S2 1,3-Propanedithiol c109808  
1613 C4H10O 1-Butanol butanol1  
1614 C4H10O 1-Propanol, 2-methyl- c78831  
1615 C4H10O 2-Butanol, (.+/-.)- butanol2  
1616 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1617 C4H10O Ethoxy ethane etoet  
1618 C4H10O Methyl propyl ether meopr  
1619 C4H10O Propane, 2-methoxy- c598538  
1620 C4H10O+ 1-Butanol cation butanol1+  
1621 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1622 C2H5SC2H5 Diethyl sulfide etset  
1623 C4H9SH 1-Butanethiol bush  
1624 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1625 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1626 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1627 FNO3 Fluorine nitrate fno3  
1628 ClONO2 Chlorine nitrate clono2  
1629 BrONO2 Bromine nitrate brono2  
1630 TiCl4 Titanium tetrachloride ticl4  
1631 ClO4- perchlorate anion clo4-  
1632 BF4- tetrafluoroboron anion bf4-  
1633 ClFO3 Perchloryl fluoride clfo3  
1634 SO2F2 Sulfuryl fluoride so2f2  
1635 SO2Cl2 Sulfuryl chloride so2cl2  
1636 F3NO Nitrogen trifluoride oxide f3no  
1637 F3PO Phosphoryl fluoride pf3o  
1638 Cl3PO Phosphoryl chloride pcl3o  
1639 CF4 Carbon tetrafluoride cf4  
1640 CF3Cl Methane, chlorotrifluoro- cf3cl  
1641 SiF4 Silicon tetrafluoride sif4  
1642 CF2Cl2 difluorodichloromethane cf2cl2  
1643 TiF4 Titanium tetrafluoride tif4  
1644 CFCl3 Trichloromonofluoromethane cfcl3  
1645 CF3Br Bromotrifluoromethane cf3br  
1646 GeF4 Germanium tetrafluoride gef4  
1647 CCl4 Carbon tetrachloride ccl4  
1648 CCl4+ Carbon tetrachloride cation ccl4+  
1649 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1650 SiCl4 Silane, tetrachloro- sicl4  
1651 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1652 CF3I trifluoroiodomethane cf3i  
1653 CBrCl3 Methane, bromotrichloro- cbrcl3  
1654 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1655 GeCl4 Germanium Tetrachloride gecl4  
1656 CBr2ClF dibromochlorofluoromethane cbr2clf  
1657 CBr2Cl2 dibromodichloromethane cbr2cl2  
1658 CCl3I trichloroiodomethane ccl3i  
1659 CFBr3 fluorotribromomethane cfbr3  
1660 CFClBrI fluorochlorobromoiodomethane cfclbri  
1661 CBr3Cl tribromochloromethane cbr3cl  
1662 CF2I2 difluorodiiodomethane cf2i2  
1663 CBr4 Carbon tetrabromide cbr4  
1664 CCl2I2 dichlorodiiodomethane ccl2i2  
1665 SiBr4 Silicon tetrabromide sibr4  
1666 CBr3I tribromoiododmethane cbr3i  
1667 GeBr4 Germanium tetrabromide gebr4  
1668 CI4 tetraiodomethane ci4  
1669 SiI4 silicon tetraiodide sii4  
1670 ClOF3 Chlorine trifluoride oxide clof3  
1671 SF4 Sulfur tetrafluoride sf4  
1672 SeF4 Selenium tetrafluoride sef4  
1673 SCl4 Sulfur tetrachloride scl4  
1674 C2HF3 Trifluoroethylene c2hf3  
1675 C2HF3+ Trifluoroethylene cation c2hf3+  
1676 CHClCCl2 Trichloroethylene chclccl2  
1677 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1678 HClO4 perchloric acid hclo4  
1679 HSO3F Fluorosulfonic acid hso3f  
1680 CF3OH trifluoromethanol cf3oh  
1681 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1682 CHClCCHCl 1,3-dichloroallene chclcchcl  
1683 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1684 CHCl2CHO dichloroacetaldehyde chcl2cho  
1685 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1686 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1687 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1688 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1689 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1690 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1691 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1692 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1693 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1694 NH3BCl3 Amminetrichloroboron nh3bcl3  
1695 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1696 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1697 C3H5ClO Oxirane, (chloromethyl)- c106898  
1698 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1699 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1700 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1701 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1702 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1703 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1704 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1705 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1706 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1707 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1708 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1709 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1710 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1711 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1712 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1713 C4H9F 1-fluorobutane butaf1  
1714 CH3CHFCH2CH3 2-fluorobutane butaf2  
1715 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1716 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1717 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1718 XeF4 Xenon tetrafluoride xef4  
1719 C2H2N2O Furazan furazan  
1720 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1721 NH3BF3 Amminetrifluoroboron nh3bf3  
1722 C6H2 hexatriyne c6h2  
1723 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1724 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1725 C6H4 Benzyne benzyne  
1726 C6H5 phenyl phenyl  
1727 C6H5- phenyl anion phenyl-  
1728 C6H6 Prismane prismane  
1729 C6H6 1,2,4,5-Hexatetraene ht1245  
1730 C6H6 2,4-Hexadiyne hexadiyne  
1731 C6H6 3,4-Dimethylenecyclobutene cb34m  
1732 C6H6 Benzene benzene  
1733 C6H6 Benzvalene bv  
1734 C6H6 Dewar Benzene dewar  
1735 C6H6 Hexa-1,5-diene-3-yne hdy153  
1736 C6H6 Trimethylenecycopropane tmcp  
1737 C6H6+ Benzene cation c6h6+  
1738 C6H7+ benzene, protonated c6h7+  
1739 C6H8 (E)-hexa-1,3,5-triene c821078  
1740 C6H8 (E)-hexa-2,3,4-triene c59660650  
1741 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1742 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1743 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1744 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1745 C6H8 3-Methylenecyclopentene c930267  
1746 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1747 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1748 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1749 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1750 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1751 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1752 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1753 C6H10 1,5-Hexadiene c592427  
1754 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1755 C6H10 1-Hexyne hexyne1  
1756 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1757 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1758 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1759 C6H10 2-Hexyne c764352  
1760 C6H10 3-Hexyne hexyne3  
1761 C6H10 cyclohexene cyclohexene  
1762 C6H10 Cyclopentene, 1-methyl- c693890  
1763 C6H10 Cyclopentene, 3-methyl- c1120623  
1764 C6H10 Cyclopentene, 4-methyl- c1759815  
1765 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1766 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1767 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1768 C6H12 (E)-2-Hexene e2hexene  
1769 C6H12 (E)-3-methylpent-2-ene c616126  
1770 C6H12 (E)-hex-3-ene e3hexene  
1771 C6H12 (Z)-3-methylpent-2-ene c922623  
1772 C6H12 (Z)-hex-2-ene z2hexene  
1773 C6H12 (Z)-hex-3-ene z3hexene  
1774 C6H12 2,3-dimethylbut-1-ene c563780  
1775 C6H12 2,3-dimethyl-but-2-ene tmeet  
1776 C6H12 3-methylenepentane c760214  
1777 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1778 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1779 C6H12 Cyclohexane cyclohexane  
1780 C6H12 Cyclopentane, methyl- c96377  
1781 C6H12 Ethylcyclobutane c4806615  
1782 C6H12 hex-1-ene hexene1  
1783 C6H14 Butane, 2,2-dimethyl- buta22  
1784 C6H14 Butane, 2,3-dimethyl- buta23  
1785 C6H14 Hexane hexane  
1786 C6H14 Pentane, 2-methyl- penta2  
1787 C6H14 Pentane, 3-methyl- penta3  
1788 C4N2 2-Butynedinitrile c4n2  
1789 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1790 C4H2N2 Fumaronitrile c4h2n2  
1791 C2H2N4 sym-tetrazine ttz  
1792 C3H3N3 1,3,5-Triazine triazine135  
1793 CH3N5 5-Aminotetrazole c4418615  
1794 C4H4N2 1,3-Diazine diazine13  
1795 C4H4N2 Pyrazine pyrazine  
1796 C4H4N2 Pyridazine pyridazine  
1797 C4H4N2 Succinonitrile c110612  
1798 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1799 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1800 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1801 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1802 C5H5N E-2,4-pentadienenitrile bdcn  
1803 C5H5N Pyridine pyridine  
1804 B3N3H6 borazine borazine  
1805 C6H6 Fulvene fulvene  
1806 C5H6N+ Pyridinium c5h6n  
1807 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1808 C5H7N (E)-2-Pentenenitrile c26294984  
1809 C5H7N (E)-3-Pentenenitrile c16529661  
1810 C5H7N (Z)-2-Pentenenitrile c25899507  
1811 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1812 C5H7N Cyclobutanecarbonitrile c4426113  
1813 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1814 C5H9N Butanenitrile, 2-methyl- c18936179  
1815 C5H9N Pentanenitrile c110598  
1816 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1817 C6H10 Bicyclo[3.1.0]hexane c285585  
1818 C5H11N Cyclopentanamine cypentam  
1819 C5H11N Piperidine piper  
1820 C4H12N2 1,2-Butanediamine c4426486  
1821 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1822 Li2CO3 Lithium Carbonate li2co3  
1823 Na2CO3 Sodium Carbonate na2co3  
1824 C2O4-- oxalate anion c2o4  
1825 MgSO4 Magnesium Sulfate mgso4  
1826 N2O4 Dinitrogen tetroxide n2o4  
1827 C3H2O3 vinylene carbonate vica  
1828 C2H2O4 Oxalic Acid oxalic  
1829 C2H3NO3 Oxamic acid oxamic  
1830 C4H4O2 2(5H)-Furanone furanone  
1831 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1832 C2H4N2O2 Oxalamide oxalamide  
1833 C2H4N2S2 Ethanedithioamide c79403  
1834 C2H4CO3 Ethylene carbonate etco3  
1835 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1836 C3H4S3 1,3-Dithiolane-2-thione c822388  
1837 C2H4O4 Formic acid dimer fadimer  
1838 C4H5NO 3-Methylisoxazole isox3m  
1839 C4H5NO Isoxazole, 5-methyl- c5765446  
1840 C4H5NS 4-Methylthiazole c693958  
1841 C2H5NO3 Nitric acid, ethyl ester c625581  
1842 C5H6O 2H-Pyran pyran2  
1843 C5H6O 2-methylfuran furan2m  
1844 C5H6O 3-Methylfuran furan3m  
1845 C5H6O Pentadienal pdal  
1846 C5H6S Thiophene, 2-methyl- c554143  
1847 C5H6S Thiophene, 3-methyl- c616444  
1848 C4H6O2 γ–Butyrolactone c96480  
1849 C4H6O2 2,3-Butanedione c431038  
1850 C4H6O2 2-Propenoic acid, methyl ester c96333  
1851 C4H6O2 Crotonic Acid crot  
1852 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1853 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1854 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1855 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1856 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1857 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1858 C4H6OS Vinyl sulfoxide c1115157  
1859 CH6N4S Carbonothioic dihydrazide thiacarb  
1860 C2H6N2O2 (E)-Azodioxymethane c37765154  
1861 C2H6N2O2 Dimethylnitroamine c4164287  
1862 C3H6O3 1,3,5-Trioxane trioxane  
1863 C3H6S3 1,3,5-Trithiane c3h6s3  
1864 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1865 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1866 C4H7NO 2-Pyrrolidinone c616455  
1867 C4H7NO Ethoxyacetonitrile etoaccn  
1868 C4H7NO Methacrylamide c79390  
1869 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1870 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1871 C3H7ONO Propyl nitrite prono  
1872 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1873 CH3CH(NH2)COOH Alanine alanine  
1874 CH3NHCH2COOH Sarcosine sarcosine  
1875 NH2CH2CH2COOH β–alanine betaalanine  
1876 NH2COOC2H5 Urethane urethane  
1877 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1878 C5H8O Cyclopentanone c120923  
1879 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1880 C5H8O Methyl cyclopropyl ketone c765435  
1881 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1882 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1883 NH2CONHC2H5 Urea, ethyl- c625525  
1884 C4H8O2 1,3-Dioxane dioxan13  
1885 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1886 C4H8O2 1,4-Dioxane dioxan14  
1887 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1888 C4H8O2 Ethyl acetate c141786  
1889 C4H8OS s-Ethyl thioacetate c625605  
1890 C3H8O3 1,2,3-Propanetriol glycerin  
1891 C3H8O2S (Methylsulfonyl)ethane c594434  
1892 C4H9NO Butanamide c541355  
1893 C4H9NO Propanamide, 2-methyl- c563837  
1894 C5H10O 2-Butanone, 3-methyl- c563804  
1895 C5H10O 2H-Pyran, tetrahydro- c142687  
1896 C5H10O 2-methylbutyraldehyde 2meba  
1897 C5H10O 2-Pentanone mpk  
1898 C5H10O 3-Pentanone dek  
1899 C5H10O Cyclopentanol c96413  
1900 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1901 C5H10O Pentanal pal  
1902 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1903 C5H10S 3-Ethylthio-1-propene c5296628  
1904 C5H10S Cyclopentanethiol c1679078  
1905 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1906 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1907 C4H10O2 1,1-Dimethoxyethane c534156  
1908 C4H10O2 1,3-Butanediol budiol13  
1909 C4H10O2 1,4-Butanediol budiol14  
1910 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1911 C4H10OS Diethyl sulfoxide c70291  
1912 C4H10S2 1,4-Butanedithiol budisl14  
1913 C4H11NO Diethylhydroxylamine c3710847  
1914 C5H12O 1-Butanol, 2-methyl- c137326  
1915 C5H12O 1-Butanol, 3-methyl- c123513  
1916 C5H12O 1-Pentanol pentanol1  
1917 C5H12O 2-Butanol, 3-methyl- c598754  
1918 C5H12O 2-Pentanol peol2  
1919 C5H12O 3-Pentanol pentan3ol  
1920 C5H12O Butane, 1-methoxy- meobu  
1921 C5H12O Propane, 1-ethoxy- proet  
1922 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1923 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1924 C5H12S 1-Butanethiol, 3-methyl- c541311  
1925 C5H12S 1-Pentanethiol c110667  
1926 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1927 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1928 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1929 C5H12S Butane, 1-(methylthio)- c628295  
1930 C5H12S Ethyl propyl sulfide c4110503  
1931 C5H12S Propane, 2-(ethylthio)- c5145993  
1932 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1933 C4F2 difluorobutadiyne c4f2  
1934 ClCOClCO Oxalyl chloride oxcl  
1935 CF3CN Acetonitrile, trifluoro- cf3cn  
1936 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1937 B2F4 Diboron tetrafluoride b2f4  
1938 B2Cl4 Diboron tetrachloride b2cl4  
1939 C2F4 Tetrafluoroethylene c2f4  
1940 C2F4+ Tetrafluoroethylene cation c2f4+  
1941 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1942 CF2CCl2 difluorodichloroethylene cf2ccl2  
1943 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1944 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1945 C2FCl3 fluorotrichloroethene c2fcl3  
1946 C2Cl4 Tetrachloroethylene c2cl4  
1947 C2Br4 tetrabromoethene c2br4  
1948 CF3OF Trifluoromethylhypofluorite cf3of  
1949 SiF5- silicon pentafluoride anion sif5-  
1950 SOF4 Sulfur tetrafluoride oxide sof4  
1951 PF5 Phosphorus pentafluoride pf5  
1952 AsF5 Arsenic pentafluoride asf5  
1953 PCl5 Phosphorus pentachloride pcl5  
1954 SF5 Sulfur pentafluoride sf5  
1955 SF5+ pentafluoro sulfur cation sf5+  
1956 SbCl5 Antimony pentachloride sbcl5  
1957 BrF5 bromine pentafluoride brf5  
1958 ClF5 chlorinepentafluoride clf5  
1959 IF5 pentafluoroiodine if5  
1960 CF3CHO trifluoroacetaldehyde cf3cho  
1961 CCl3CHO trichloroacetaldehyde ccl3cho  
1962 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1963 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1964 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1965 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1966 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1967 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1968 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1969 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1970 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1971 CF3COOH trifluoroacetic acid cf3cooh  
1972 C4H3ClO Furan, 2-chloro fur2cl  
1973 C4H3ClO Furan,3-chloro fur3cl  
1974 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1975 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1976 C4H8Cl2 1,4-Dichlorobutane c110565  
1977 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1978 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1979 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1980 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1981 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1982 C5H11Cl Pentane, 1-chloro- pencl1  
1983 C4H8O2 Butanoic acid bua  
1984 C6H5CH2 benzyl radical benzyl  
1985 C7H7 cycloheptatrienyl radical c7h7  
1986 C7H7+ cycloheptatrienyl cation c7h7+  
1987 C6H5CH3 toluene toluene  
1988 C7H8 cycloheptatriene cht  
1989 C7H8 Norbornadiene norbor  
1990 C7H8 Quadricyclane qucy  
1991 C7H12 Norbornane nor  
1992 C7H14 cycloheptane c7h14  
1993 C7H16 2-methylhexane 2mhex  
1994 C7H16 3-methylhexane hex3m  
1995 C7H16 heptane heptane  
1996 CH(CN)3 tricyanomethane mecn3  
1997 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1998 C6H7N 2-Methylpyridine mp  
1999 C6H5NH2 aniline aniline  
2000 C6H13N 2-Methylpiperidine pip2m  
2001 C6H13N cyclohexanamine cham  
2002 C6H15N triethylamine tea  
2003 N2O5 Dinitrogen pentoxide n2o5  
2004 C4H2O3 Maleic Anhydride malan  
2005 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
2006 C5H4O2 furfural furfural  
2007 C6H5O phenoxy radical phenoxy  
2008 C5H5NO 2(1H)-Pyridinone c72762006  
2009 C5H5NO 2(3H)-Pyridinone c9000048  
2010 C5H5NO 2(5H)-Pyridinone c9000037  
2011 C5H5NO 2-Pyridinol c109104  
2012 C5H5NO 3(2H)-Pyridinone c9000004  
2013 C5H5NO 3(4H)-Pyridinone c9000026  
2014 C5H5NO 3(6H)-Pyridinone c9000015  
2015 C5H5NO 3-Pyridinol c109002  
2016 C5H5NO 4(1H)-Pryidinone c9000060  
2017 C5H5NO 4(3H)-Pryidinone c9000059  
2018 C5H5NO 4-Pyridinol c626642  
2019 C6H5OH phenol phenol  
2020 C6H6O 2,4-Cyclohexadienone c24599573  
2021 C6H6O 2,5-Cyclohexadienone c5664335  
2022 C6H5SH Benzenethiol phsh  
2023 HO2CCHNH2CH2OH Serine serine  
2024 C5H8O2 Acetylacetone acac  
2025 C4H8O2S Sulfolane sulfolane  
2026 C7H10 Norbornene norbornene  
2027 CH(C2H3)3 trivinyl methane tvm  
2028 C6H10O cyclohexanone chexo  
2029 C6H12O hexanal c6h12o  
2030 C6H12O Oxepane oxepane  
2031 C3H7OC3H7 di-n-propyl ether propr  
2032 F2CCCF2 tetrafluoroallene pfa  
2033 CF3COO- trifluoro acetate anion cf3coo-  
2034 CF3COF trifluoroacetyl fluoride cf3cof  
2035 CF3COCl trifluoroacetyl chloride cf3cocl  
2036 PF6 Hexafluorophosphate neutral pf6  
2037 PF6- Hexafluorophosphate ion pf6-  
2038 SF6 Sulfur Hexafluoride sf6  
2039 SeF6 Selenium hexafluoride sef6  
2040 SF5Cl sulfur chloropentafluoride sf5cl  
2041 CF3CHF2 pentafluoroethane cf3chf2  
2042 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
2043 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2044 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2045 CCl3CHCl2 pentachloroethane ccl3chcl2  
2046 C6H5F Fluorobenzene bzf  
2047 C6H5Cl chlorobenzene bzcl  
2048 C6H5Br bromobenzene bzbr  
2049 C8H6 Calicene calicene  
2050 C6H5CCH phenylacetylene phac  
2051 C8H6 benzocyclobutadiene bcbd  
2052 C8H6 Pentalene pentalene  
2053 C6H5CHCH2 Styrene styrene  
2054 C8H8 cubane cubane  
2055 C8H8 cyclooctatetraene cot  
2056 C6H5CH2CH3 Ethylbenzene etbz  
2057 CH3C6H4CH3 meta-xylene mxylene  
2058 CH3C6H4CH3 paraxylene pxylene  
2059 C8H14 Bicyclo[2.2.2]octane bico222  
2060 C8H16 cyclooctane cyclooct  
2061 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2062 C8H18 Octane c8h18  
2063 C6H5CN phenyl cyanide phcn  
2064 C6H12N2 Triethylenediamine ted  
2065 C4O4-- squarate dianion c4o4--  
2066 S4N4 Tetrasulfur tetranitride s4n4  
2067 S8 Octasulfur s8  
2068 C6H4O2 parabenzoquinone pbq  
2069 C4H4N2O2 Uracil uracil  
2070 C6H5CHO benzaldehyde benzal  
2071 C6H5OCH3 Anisole anisole  
2072 C5H9NO2 Proline proline  
2073 C6H12O2 Methyl pivalate c598981  
2074 C6H12O2 Hexanoic acid hexa  
2075 C4F4 tetrafluorcyclobutadiene c4f4  
2076 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2077 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2078 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2079 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2080 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2081 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2082 C2F6 hexafluoroethane c2f6  
2083 C2Cl6 hexachloroethane c2cl6  
2084 IF7 Iodine heptafluoride if7  
2085 C6H4F2 metadifluorobenzene mdfb  
2086 C6H4F2 orthodifluorobenzene odfb  
2087 C6H4F2 1,4-difluorobenzene pdfb  
2088 C6H4Cl2 1,2-dichlorobenzene dcb12  
2089 C6H4Cl2 1,3-dichlorobenzene dcb13  
2090 C6H4Cl2 1,4-dichlorobenzene dcb14  
2091 C6H5NO nitrosobenzene bzno  
2092 C9H8 Indene indene  
2093 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2094 C9H12 n-propyl benzene prbz  
2095 C9H20 Nonane nonane  
2096 C(CN)4 tetracyanomethane c5n4  
2097 C5H4N4 purine purine  
2098 C8H7N Indole indole  
2099 C3H3N3O3 cyanuric acid cyanuric  
2100 C6H5NO2 Nitrobenzene c6h5no2  
2101 C6H5COOH benzoic acid benzo  
2102 CH3COC6H5 acetophenone acph  
2103 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2104 C3F6 hexafluoropropene c3f6  
2105 C6H3F3 Benzene trifluoride 123 bzf3a  
2106 C8H18O 1-Octanol octanol  
2107 C10H8 Azulene azu  
2108 C10H8 naphthalene naph  
2109 C10H10 bullvalene bullv  
2110 C10H16 adamantane adamantane  
2111 C6N4 Tetracyanoethylene tcne  
2112 C6N4- tetracyanoethylene anion tcne-  
2113 C10H22 Decane decane  
2114 C4F6 perfluorobutadiene c4f6  
2115 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2116 C3F8 perfluoropropane c3f8  
2117 Fe(CO)5 Iron pentacarbonyl ipc  
2118 Fe(C5H5)2 ferrocene fecp2  
2119 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2120 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2121 C12H8 Acenaphthylene acenaph  
2122 C12H8 biphenylene biph  
2123 C12H10 biphenyl biphenyl  
2124 C12H10 Heptalene heptalene  
2125 C6H12O6 Inositol inositol  
2126 C6F6 hexafluorobenzene c6f6  
2127 S2F10 disulphur decafluoride s2f10  
2128 C13H10 Fluorene fluorene  
2129 C14H10 Anthracene anth  
2130 C14H10 Phenanthrene phenanthrene  
2131 C14H14 Bibenzyl bibenzyl  
2132 C12H10N2 azobenzene azobenzene  
2133 C6H5COC6H5 benzophenone benzophenone  
2134 C16H10 Pyrene pyrene  
2135 C18H12 Tetracene tetracene  
2136 C19H16 Triphenylmethane tpm  
2137 C24H12 Coronene coronene  
2138 C60 Buckminsterfullerene c60