National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
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XXH-bond dimers
XXIOddities

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

List of which calculations are completed at QCISD(TQ) /CEP-31G*

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 N+ Nitrogen atom cation 3PKh
11 P Phosphorus atom 4SKh
12 NH3 Ammonia 1A1C3v
13 O Oxygen atom 3SKh
14 O+ Oxygen atom cation 4SKh
15 S Sulfur atom 3PKh
16 OH Hydroxyl radical 2ΠC∞v
17 H2O Water 1A1C2v
18 F Fluorine atom 2PKh
19 F+ Fluorine atom cation 3SKh
20 Cl Chlorine atom 2PKh
21 Cl+ Chlorine atom cation 3PKh
22 HF Hydrogen fluoride 1ΣC∞v
23 HCl Hydrogen chloride 1ΣC∞v
24 Na2 Sodium diatomic 1ΣgD∞h
25 C2H2 Acetylene 1ΣgD∞h
26 C2H4 Ethylene 1AgD2h
27 C2H6 Ethane 1A1gD3d
28 N2 Nitrogen diatomic 1ΣgD∞h
29 CO Carbon monoxide 1ΣC∞v
30 NO Nitric oxide 2ΠC∞v
31 O2 Oxygen diatomic 3ΣgD∞h
32 H2CO Formaldehyde 1A1C2v
33 BF Boron monofluoride 1ΣC∞v
34 F2 Fluorine diatomic 1ΣgD∞h
35 Cl2 Chlorine diatomic 1ΣgD∞h
36 C3H5 Allyl radical 2A2C2v
37 C3H6 Cyclopropane 1A1'D3h
38 CH2CHCH3 Propene 1A'Cs
39 CO2 Carbon dioxide 1ΣgD∞h
40 SO2 Sulfur dioxide 1A1C2v
41 BF3 Borane, trifluoro- 1A'D3h
42 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 P- Phosphorus atom anion p-  
154 P+ Phosphorus atom cation p+  
155 V Vanadium atom v  
156 V+ Vanadium atom cation v+  
157 As Arsenic atomic as  
158 As- Arsenic anion as-  
159 As+ Arsenic cation as+  
160 Sb Antimony atom sb  
161 NH Imidogen nh  
162 NH- Imidogen anion nh-  
163 NH+ imidogen cation nh+  
164 PH phosphorus monohydride ph  
165 PH- phosphorus monohydride anion ph-  
166 PH+ phosphorus monohydride cation ph+  
167 AsH Arsenic monohydride ash  
168 AsH+ Arsenic monohydride cation ash+  
169 SbH Antimony monohydride sbh  
170 ND2 Amidogen-d2 nd2  
171 NH2 Amino radical nh2  
172 NH2- amino anion nh2-  
173 NH2+ Amino cation nh2+  
174 PH2 Phosphino radical ph2  
175 PH2- Phosphino anion ph2-  
176 PH2+ Phosphino cation ph2+  
177 AsH2 Arsenic dihydride ash2  
178 AsH2+ Arsenic dihydride cation ash2+  
179 ND3 Ammonia-d3 nd3  
180 NH3- Ammonia anion nh3-  
181 NH3+ ammonia cation nh3+  
182 PH3 Phosphine ph3  
183 PH3+ Phosphine cation ph3+  
184 AsH3 Arsine ash3  
185 AsH3+ Arsine cation ash3+  
186 SbH3 Stibine sbh3  
187 AsH4+ Arsonium ash4+  
188 NH4 Ammonium radical nh4  
189 NH4+ ammonium cation nh4+  
190 PH4 Phosphoranyl radical ph4  
191 PH4+ phosphonium cation ph4+  
192 O- Oxygen atom anion o-  
193 S- Sulfur atom anion s-  
194 S+ Sulfur atom cation s+  
195 Cr Chromium atom cr  
196 Se Selenium atom se  
197 Se- Selenium atom anion se-  
198 Se+ Selenium atom cation se+  
199 Te Tellurium atom te  
200 Te+ Tellurium atom cation te+  
201 DO Hydroxyl-d od  
202 OH- hydroxide anion oh-  
203 OH+ hydoxyl cation oh+  
204 DS Mercapto-d ds  
205 HS Mercapto radical hs  
206 HS- mercapto anion sh-  
207 HS+ sulfur monohydride cation sh+  
208 CrH Chromium hydride crh  
209 CrH+ Chromium hydride cation crh+  
210 HSe Selenium monohydride hse  
211 HSe- selenium monohydride anion hse-  
212 HSe+ selenium monohydride cation hse+  
213 TeH Telluryl radical teh  
214 D2O Deuterium oxide d2o  
215 H2O- water anion h2o-  
216 H2O+ water cation h2o+  
217 HDO Water-d1 hdo  
218 D2S Hydrogen sulfide-d2 d2s  
219 H2S Hydrogen sulfide h2s  
220 H2S- Hydrogen sulfide anion h2s-  
221 H2S+ Hydrogen sulfide cation h2s+  
222 H2Se Hydrogen selenide h2se  
223 H2Se+ Hydrogen selenide cation h2se+  
224 H2Te Hydrogen Telluride h2te  
225 H3O+ hydronium cation h3o+  
226 H3S+ Sulfonium cation h3s+  
227 H3Se+ Hydrogen Selenide, protonated h3se+  
228 F- Fluorine atom anion f-  
229 Cl- Chlorine atom anion cl-  
230 Mn Manganese atom mn  
231 Br Bromine atom br  
232 Br- Bromine atom anion br-  
233 Br+ Bromine atom cation br+  
234 I Iodine atom iodine  
235 I- Iodine atom anion iodine-  
236 I+ Iodine atom cation iodine+  
237 DF Hydrofluoric acid-d df  
238 HF- hydrogen fluoride anion hf-  
239 HF+ hydrogen fluoride cation hf+  
240 DCl Hydrochloric acid-d dcl  
241 HCl- hydrogen chloride anion hcl-  
242 HCl+ hydrogen chloride cation hcl+  
243 HBr hydrogen bromide hbr  
244 HBr- hydrogen bromide anion hbr-  
245 HBr+ hydrogen bromide cation hbr+  
246 HI Hydrogen iodide hi  
247 HI+ Hydrogen iodide cation hi+  
248 H2F+ dihydrogen fluoride cation h2f+  
249 H2Cl+ dihydrogen monochloride cation h2cl+  
250 H2Br+ protonated hydrogen bromide h2br+  
251 H2I+ Iodonium h2i+  
252 Ne Neon atom ne  
253 Ne- Neon atom anion ne-  
254 Ne+ Neon atom cation ne+  
255 Ar Argon atom ar  
256 Ar- Argon atom anion ar-  
257 Ar+ Argon atom cation ar+  
258 Fe Iron atom fe  
259 Kr Krypton atom kr  
260 Kr+ Krypton cation kr+  
261 Xe Xenon atom xe  
262 HeLi+ Helium Lithium cation heli+  
263 NeH neon hydrogen neh  
264 NeH+ neon hydrogen cation neh+  
265 ArH+ Argon hydride cation arh+  
266 KrH+ Protonated Krypton krh+  
267 XeH+ Xenon, protonated xeh+  
268 H2Ar H2 Ar dimer h2ar  
269 Co Cobalt atom cobalt  
270 Ni Nickel atom ni  
271 Li2 Lithium diatomic li2  
272 Li2- lithium diatomic anion li2-  
273 Li2+ lithium diatomic cation li2+  
274 NaLi lithium sodium lina  
275 NaLi- lithium sodium anion lina-  
276 NaLi+ lithium sodium cation lina+  
277 LiK Lithium Potassium lik  
278 Na2- sodium diatomic anion na2-  
279 Na2+ sodium diatomic cation na2+  
280 NaK Sodium Potassium nak  
281 NaK+ Sodium Potassium diatomic cation nak+  
282 K2 Potassium diatomic k2  
283 Cu2 Copper diatomic cu2  
284 LiBe Lithium Beryllium libe  
285 LiMg Lithium magnesium limg  
286 NaBe Sodium Beryllium nabe  
287 NaMg Sodium Magnesium namg  
288 Be2 Beryllium diatomic be2  
289 Be2- Beryllium diatomic anion be2-  
290 Be2+ Beryllium diatomic cation be2+  
291 BeMg Beryllium Magnesium bemg  
292 Mg2 Magnesium diatomic mg2  
293 Mg2- magnesium diatomic anion mg2-  
294 Mg2+ magnesium diatomic cation mg2+  
295 Ca2 Calcium diatomic ca2  
296 LiB Lithium boride lib  
297 LiAl Lithium Aluminum lial  
298 NaAl Sodium aluminum naal  
299 BeB Beryllium monoboride beb  
300 B2 Boron diatomic b2  
301 B2- Boron diatomic anion b2-  
302 B2+ Boron diatomic cation b2+  
303 BAl Boron Aluminum bal  
304 Al2 Aluminum diatomic al2  
305 Al2- aluminum diatomic anion al2-  
306 Al2+ aluminum diatomic cation al2+  
307 BGa Boron Gallium bga  
308 AlGa Aluminum Gallium alga  
309 Ga2 Gallium diatomic ga2  
310 HBBH Diborane(2) hbbh  
311 LiBH4 Lithium borohydride libh4  
312 B2H4 Diborane(4) D2d b2h4  
313 HBHHBH Diborane(4) C2V hbhhbh  
314 B2H6 Diborane b2h6  
315 B2H6+ Diborane cation b2h6  
316 Al2H6 dialane al2h6  
317 Ga2H6 digallane ga2h6  
318 LiC Lithium Carbide lic  
319 BeC Beryllium Carbide bec  
320 CaC Calcium monocarbide cac  
321 BC boron monocarbide bc  
322 BC- boron monocarbide anion bc-  
323 BC+ boron monocarbide cation bc+  
324 AlC Aluminum carbide alc  
325 BSi Boron silicide bsi  
326 C2 Carbon diatomic c2  
327 C2- carbon diatomic anion c2-  
328 C2+ carbon diatomic cation c2+  
329 SiC silicon monocarbide sic  
330 SiC- silicon monocarbide anion sic-  
331 SiC+ silicon monocarbide cation sic+  
332 Si2 Silicon diatomic si2  
333 Si2- silcon diatomic anion si2-  
334 Si2+ silcon diatomic cation si2+  
335 GeC Germanium monocarbide gec  
336 SiGe Silicon Germanium sige  
337 Ge2 Germanium diatomic ge2  
338 C2H Ethynyl radical c2h  
339 C2H- Ethynyl anion c2h-  
340 C2H+ Ethynyl cation c2h+  
341 ZnCH2 Zinc methylene znch2  
342 C2H2+ acetylene cation c2h2+  
343 CCH2 vinylidene vinylidene  
344 H2CC- vinylidene anion h2cc-  
345 HCCH- acetylene anion c2h2-  
346 Si2H2 disilyne si2h2  
347 CH3Li methyl lithium ch3li  
348 CuCH3 monomethyl copper cuch3  
349 ZnCH3 Zinc monomethyl znch3  
350 CH2BH methyleneborane ch2bh  
351 C2H3 vinyl c2h3  
352 C2H3- vinyl anion c2h3-  
353 C2H3+ vinyl cation c2h3+  
354 C2H4- Ethylene anion c2h4-  
355 C2H4+ Ethylene cation c2h4+  
356 CH3CH methylmethylene ch3ch  
357 CH2SiH2 silaethylene ch2sih2  
358 Si2H4 Disilene si2h4  
359 CH3BH2 methylborane ch3bh2  
360 C2H5 Ethyl radical c2h5  
361 C2H5- Ethyl anion c2h5-  
362 C2H5+ Ethyl cation c2h5+  
363 C2H6+ ethane cation c2h6+  
364 CH3SiH3 methyl silane ch3sih3  
365 Si2H6 disilane si2h6  
366 GeH3CH3 methyl germane geh3ch3  
367 C2H7+ Ethane, protonated c2h7+  
368 LiN Lithium Nitride lin  
369 LiN+ Lithium Nitride cation lin+  
370 LiP Lithium monophosphide lip  
371 BeN Beryllium mononitride ben  
372 BeN- Beryllium mononitride anion ben-  
373 BeN+ Beryllium mononitride cation ben+  
374 MgN Magnesium Nitride mgn  
375 BN- boron nitride anion bn-  
376 AlN- aluminum mononitride anion aln-  
377 AlN+ aluminum mononitride cation aln+  
378 BP Boron monophosphide bp  
379 AlP Aluminum monophosphide alp  
380 GaN Gallium mononitride gan  
381 GaP Gallium monophosphide gap  
382 GaAs Gallium arsenide gaas  
383 BN boron nitride bn  
384 BN+ boron nitride cation bn+  
385 AlN Aluminum nitride aln  
386 CN Cyano radical cn  
387 CN- cyanide anion cn-  
388 CN+ Cyano cation cn+  
389 CP Carbon monophosphide cp  
390 CP- carbon monophosphide anion cp-  
391 CP+ carbon monophosphide cation cp+  
392 SiN Silicon nitride sin  
393 SiN- silicon mononitride anion sin-  
394 SiN+ silicon mononitride cation sin+  
395 SiP Silicon monophosphide sip  
396 SiP- Silicon monophosphide anion sip-  
397 SiP+ Silicon monophosphide cation sip+  
398 TiN Titanium mononitride tin  
399 N2- nitrogen diatomic anion n2-  
400 N2+ diatomic nitrogen cation n2+  
401 PN Phosphorus mononitride pn  
402 PN- phosphorus nitride anion pn-  
403 PN+ phosphorus nitride cation pn+  
404 P2 Phosphorus diatomic p2  
405 P2- phosphorus diatomic anion p2-  
406 P2+ phosphorus diatomic cation p2+  
407 AsN Arsenic mononitride asn  
408 AsP Arsenic monophosphide asp  
409 SbN Antimony nitride sbn  
410 As2 Arsenic diatomic as2  
411 HNB hydrogen nitrogen boron hnb  
412 HNC hydrogen isocyanide hnc  
413 HCN Hydrogen cyanide hcn  
414 HCN- Hydrogen cyanide anion hcn-  
415 HCN+ hydrogen cyanide cation hcn+  
416 HNC+ hydrogen isocyanide cation hnc+  
417 HCP Phosphaethyne hcp  
418 HCP+ Phosphaethyne cation hcp+  
419 NNH Dinitrogen monohydride nnh  
420 NNH+ Dinitrogen monohydride cation nnh+  
421 HPO Hydrogen phosphorus oxide hpo  
422 HPO+ Hydrogen phosphorus oxide cation hpo+  
423 LiNH2 lithium amide linh2  
424 HBNH Boranimine hbnh  
425 CNH2 Aminomethylidyne radical cnh2  
426 CNH2+ N-protonated hydrogen isocyanide cnh2+  
427 H2CN Dihydrogen cyanide radical h2cn  
428 H2CN+ hydrocyanonium cation h2cn+  
429 HCNH methyleneazane hcnh  
430 HCNH+ N-protonated HCN hcnh+  
431 H2NN Isodiazene h2nn  
432 N2H2 (E)-diazene n2h2  
433 N2H2 (Z)-Diazene n2h2z  
434 N2H2+ trans-diazene cation n2h2+  
435 CH2NH Methanimine ch3n  
436 CH2NH+ Methanimine cation ch2nh+  
437 CHNH2 aminomethylene chnh2  
438 CHNH2+ Aminocarbene cation chnh2+  
439 CH2PH Phosphaethene ch3p  
440 BH2NH2 Boranamine bh2nh2  
441 CH2NH2+ methyleneamine cation ch2nh2+  
442 N2H4 Hydrazine n2h4  
443 N2H4+ hydrazine cation n2h4+  
444 P2H4 Diphosphine p2h4  
445 CH3NH2 methyl amine ch3nh2  
446 CH3NH2+ methyl amine cation ch3nh2+  
447 CH3PH2 Methyl phosphine ch3ph2  
448 SiH3NH2 Silane, amino sih3nh2  
449 N2H5+ protonated hydrazine n2h5+  
450 BH3PH3 borane phosphine bh3ph3  
451 BH3NH3 borane ammonia bh3nh3  
452 CH3NH3 methyl ammonium radical ch3nh3  
453 CH3NH3+ protonated methylamine ch3nh3+  
454 CH3PH3+ methyl phosphine, protonated ch3ph3+  
455 NH3NH3 Ammonia Dimer nh3nh3  
456 N2H7+ ammonia ammonium dimer n2h7+  
457 LiO lithium oxide lio  
458 LiO- lithium oxide anion lio-  
459 LiO+ lithium oxide cation lio+  
460 LiS Lithium monosulfide lis  
461 LiS+ Lithium sulfide cation lis+  
462 NaO sodium monoxide nao  
463 NaO- sodium oxide anion nao-  
464 NaO+ sodium oxide cation nao+  
465 KO Potassium monoxide ko  
466 KO+ Potassium monoxide cation ko+  
467 NaS Sodium sulfide nas  
468 CuO Copper Monoxide cuo  
469 LiSe Lithium monoselenide lise  
470 BeO beryllium oxide beo  
471 BeO- Beryllium monoxide anion beo-  
472 BeO+ Beryllium monoxide cation beo+  
473 BeS beryllium sulfide bes  
474 MgO magnesium oxide mgo  
475 MgO- magnesium oxide anion mgo-  
476 MgO+ magnesium oxide cation mgo+  
477 CaO Calcium monoxide cao  
478 MgS magnesium sulfide mgs  
479 MgS- magnesium sulfide anion mgs-  
480 MgS+ magnesium sulfide cation mgs+  
481 CaS Calcium sulfide cas  
482 ZnO zinc monoxide zno  
483 ZnS Zinc sulfide zns  
484 BeS- Beryllium monosulfide anion bes-  
485 BeS+ Beryllium monosulfide cation bes+  
486 BO boron monoxide bo  
487 BO- boron monoxide anion bo-  
488 AlO Aluminum monoxide alo  
489 AlO- Aluminum monoxide anion alo-  
490 AlO+ aluminum monoxide cation alo+  
491 BS boron sulfide bs  
492 BS- boron monosulfide anion bs-  
493 BS+ boron monosulfide cation bs+  
494 AlS Aluminum sulfide als  
495 AlS- aluminum monosulfide anion als-  
496 AlS+ aluminum monosulfide cation als+  
497 ScO Scandium monoxide sco  
498 GaO Gallium monoxide gao  
499 GaS Gallium monosulfide gas  
500 BO+ boron monoxide cation bo+  
501 CO- carbon monoxide anion co-  
502 CO+ carbon monoxide cation co+  
503 CS carbon monosulfide cs  
504 CS- carbon monosulfide anion cs-  
505 CS+ carbon monosulfide cation cs+  
506 SiO Silicon monoxide sio  
507 SiO- silicon monoxide anion sio-  
508 SiO+ silicon monoxide cation sio+  
509 SiS silicon monosulfide sis  
510 SiS- silicon monosulfide anion sis-  
511 SiS+ silicon monosulfide cation sis+  
512 TiO Titanium monoxide tio  
513 CSe Carbon monoselenide cse  
514 CSe- Carbon monoselenide anion cse-  
515 CSe+ Carbon monoselenide cation cse+  
516 GeO Germanium monoxide geo  
517 GeO+ Germanium monoxide cation geo+  
518 GeS Germanium monosulfide ges  
519 SiSe Silicon Monoselenide sise  
520 SiSe+ Silicon Monoselenide cation sise+  
521 GeSe Germanium monoselenide gese  
522 NO- nitric oxide anion no-  
523 NO+ nitric oxide cation no+  
524 NS Mononitrogen monosulfide ns  
525 NS- nitrogen sulfide anion ns-  
526 NS+ nitrogen sulfide cation ns+  
527 PO Phosphorus monoxide po  
528 PO- phosphorus monoxide anion po-  
529 PO+ phosphorus monoxide cation po+  
530 PS phosphorus sulfide ps  
531 PS- phosphorus monosulfide anion ps-  
532 PS+ phosphorus monosulfide cation ps+  
533 VO Vanadium monoxide vo  
534 AsO Arsenic monoxide aso  
535 NSe Nitrogen monoselenide nse  
536 AsS Arsenic monosulfide ass  
537 PSe Phosphorus monoselenide pse  
538 AsSe Arsenic monoselenide asse  
539 O2- oxygen diatomic anion o2-  
540 O2-- dioxygen dianion o2--  
541 O2+ diatomic oxygen cation o2+  
542 SO Sulfur monoxide so  
543 SO- sulfur monoxide anion so-  
544 SO+ sulfur monoxide cation so+  
545 S2 Sulfur diatomic s2  
546 S2- sulfur diatomic anion s2-  
547 S2+ sulfur diatomic cation s2+  
548 SeO Selenium monoxide seo  
549 SeO- selenium monoxide anion seo-  
550 SeO+ selenium monoxide cation seo+  
551 SeS Selenium monosulfide ses  
552 SeS- selenium monosulfide anion ses-  
553 SeS+ selenium monosulfide cation ses+  
554 TeO Tellurium monoxide teo  
555 Se2 Selenium diatomic se2  
556 Se2- selenium diatomic anion se2-  
557 Se2+ selenium diatomic cation se2+  
558 Te2 Tellurium diatomic te2  
559 LiOH lithium hydroxide lioh  
560 NaOH sodium hydroxide naoh  
561 KOH Potassium hydroxide koh  
562 BeOH beryllium monohydroxide beoh  
563 MgOH magnesium hydroxide mgoh  
564 CaOH Calcium monohydroxide caoh  
565 HBO Boron hydride oxide hbo  
566 HBS hydrogen boron sulfide hbs  
567 COH Hydroxymethylidyne coh  
568 COH+ Carbon Monoxide, protonated coh+  
569 HCO Formyl radical hco  
570 HCO- formyl anion hco-  
571 HCO+ Formyl cation hco+  
572 HCS Thioformyl radical hcs  
573 HCS- Thioformyl anion hcs-  
574 HCS+ Thioformyl cation hcs+  
575 HNO Nitrosyl hydride hno  
576 HNO- Nitrosyl hydride anion hno-  
577 HNO+ Nitrosyl hydride cation hno+  
578 NOH Hydroxyimidogen noh  
579 NOH+ O-protonated nitric oxide noh+  
580 HNS Sulfur imide hns  
581 HNS- Sulfur imide anion hns-  
582 HO2 Hydroperoxy radical ho2  
583 HO2- Hydroperoxy anion ho2-  
584 HO2+ Hydroperoxy cation ho2+  
585 HSO+ Sulfur Monoxide, S-protonated HSO+  
586 SOH Sulfur Hydroxide soh  
587 SOH+ Sulfur Monoxide, protonated soh+  
588 HS2 Thiosulfeno radical hs2  
589 H2CO- formaldehyde anion h2co-  
590 H2CO+ formaldehyde cation h2co+  
591 HOCH hydroxycarbene hoch  
592 H2CS Thioformaldehyde h2cs  
593 H2CS- thioformaldehyde anion h2cs-  
594 H2CS+ thioformaldehyde cation h2cs+  
595 H2CSe Selenoformaldehyde h2cse  
596 H2NO nitroxide h2no  
597 H2O2 Hydrogen peroxide h2o2  
598 H2O2+ Hydrogen peroxide cation h2o2+  
599 H2OO water oxide h2oo  
600 HOSH hydrogen thioperoxide hosh  
601 H2S2 Disulfane h2s2  
602 H2S2+ hydrogen disulfide cation h2s2+  
603 H2Se2 hydrogen diselenide h2se2  
604 CH2OH Hydroxymethyl radical ch2oh  
605 CH2OH+ hydroxymethyl cation ch2oh+  
606 CH3O Methoxy radical ch3o  
607 CH3O- methoxy anion ch3o-  
608 CH3O+ Methoxy cation ch3o+  
609 CH3S thiomethoxy ch3s  
610 H2CSH+ Thioformaldehyde, protonated h2csh+  
611 NH2OH hydroxylamine nh2oh  
612 NH2OH+ Hydroxylamine cation nh2oh+  
613 NH3O Ammonia Oxide nh3o  
614 H2POH Phosphinous acid h2poh  
615 H3PO Phosphine oxide h3po  
616 NH2SH Thiohydroxylamine nh2sh  
617 NH3S sulfidoazane nh3s  
618 H3O2+ hydrogen peroxide, protonated h3o2+  
619 CH3OH Methyl alcohol ch3oh  
620 CH3OH- Methyl alcohol anion ch3oh-  
621 CH3OH+ Methyl alcohol cation ch3oh+  
622 CH3SH Methanethiol ch3sh  
623 CH3SH+ Methanethiol cation ch3sh+  
624 SiH3OH silanol sih3oh  
625 CH3SeH Methane selenol ch3seh  
626 NH2OH2+ protonated hydroxylamine nh2oh2+  
627 NH3OH+ N-protonated hydroxylamine nh3oh+  
628 H2OH2O water dimer h2oh2o  
629 CH3OH2+ Methanol, protonated ch3oh2+  
630 CH3SH2+ protonated methylsulfide ch3sh2+  
631 H2ONH3 Water Ammonia Dimer h2onh3  
632 H5O2+ Dihydroxonium ion h5o2+  
633 LiF lithium fluoride lif  
634 LiCl lithium chloride licl  
635 LiCl- lithium chloride anion licl-  
636 LiCl+ lithium chloride cation licl+  
637 NaF sodium fluoride naf  
638 NaF- sodium fluoride anion naf-  
639 NaF+ sodium fluoride cation naf+  
640 KF Potassium Fluoride kf  
641 NaCl Sodium Chloride nacl  
642 NaCl- sodium chloride anion nacl-  
643 NaCl+ sodium chloride cation nacl+  
644 KCl Potassium Chloride kcl  
645 CuF Copper monofluoride cuf  
646 LiBr Lithium Bromide libr  
647 LiBr- lithium bromide anion libr-  
648 LiBr+ lithium bromide cation libr+  
649 CuCl Copper monochloride cucl  
650 NaBr Sodium Bromide nabr  
651 NaBr- sodium bromide anion nabr-  
652 NaBr+ sodium bromide cation nabr+  
653 KBr Potassium Bromide kbr  
654 LiI Lithium Iodide lii  
655 NaI Sodium Iodide nai  
656 KI Potassium Iodide ki  
657 LiF- lithium fluoride anion lif-  
658 LiF+ lithium fluoride cation lif+  
659 BeF Beryllium monofluoride bef  
660 BeF- Beryllium monofluoride anion bef-  
661 BeF+ Beryllium monofluoride cation bef+  
662 BeCl beryllium monochloride becl  
663 MgF Magnesium monofluoride mgf  
664 MgF- magnesium fluoride anion mgf-  
665 MgF+ magnesium fluoride cation mgf+  
666 CaF Calcium monofluoride caf  
667 MgCl magnesium monochloride mgcl  
668 MgCl- magnesium monochloride anion mgcl-  
669 MgCl+ magnesium monochloride cation mgcl+  
670 CaCl calcium monochloride cacl  
671 TiCl Titanium Monochloride ticl  
672 ZnF Zinc monofluoride znf  
673 ZnF- Zinc monofluoride anion znf-  
674 ZnF+ Zinc monofluoride cation znf+  
675 ZnCl Zinc monochloride zncl  
676 CaBr Calcium monobromide cabr  
677 BeCl- beryllium monochloride anion becl-  
678 BeCl+ beryllium monochloride cation becl+  
679 BF- Boron monofluoride anion bf-  
680 BF+ Boron monofluoride cation bf+  
681 AlF Aluminum monofluoride alf  
682 AlF- Aluminum monofluoride anion alf-  
683 AlF+ Aluminum monofluoride cation alf+  
684 BCl boron monochloride bcl  
685 BCl- boron monochloride anion bcl-  
686 BCl+ boron monochloride cation bcl+  
687 AlCl Aluminum monochloride alcl  
688 AlCl- aluminum monochloride anion alcl-  
689 AlCl+ aluminum monochloride cation alcl+  
690 ScF Scandium monofluoride scf  
691 BBr Boron monobromide bbr  
692 GaF Gallium monofluoride gaf  
693 GaF+ Gallium monofluoride cation gaf+  
694 AlBr Aluminum monobromide albr  
695 GaCl Gallium monochloride gacl  
696 GaCl+ Gallium monochloride cation gacl+  
697 AlI Aluminum monoiodide ali  
698 GaBr Gallium monobromide gabr  
699 CF Fluoromethylidyne cf  
700 CF- carbon monofluoride anion cf-  
701 CF+ carbon monofluoride cation cf+  
702 CCl carbon monochloride ccl  
703 CCl- carbon monochloride anion ccl-  
704 CCl+ carbon monochloride cation ccl+  
705 SiF silicon monofluoride sif  
706 SiF- silicon monofluoride anion sif-  
707 SiF+ silicon monofluoride cation sif+  
708 SiCl Clorosilylidyne sicl  
709 SiCl- silicon monochloride anion sicl-  
710 SiCl+ silicon monochloride cation sicl+  
711 CBr Carbon monobromide cbr  
712 GeF Germanium monofluoride gef  
713 GeF+ Germanium monofluoride cation gef+  
714 GeCl Germanium monochloride gecl  
715 GeCl+ Germanium monochloride cation gecl+  
716 SiBr Silicon monobromide sibr  
717 SiBr+ Silicon monobromide cation sibr+  
718 NF nitrogen fluoride nf  
719 NF- nitrogen monofluorine anion nf-  
720 NF+ nitrogen monofluoirde cation nf+  
721 NCl nitrogen monochloride ncl  
722 NCl- nitrogen monochloride anion ncl-  
723 NCl+ nitrogen monochloride cation ncl+  
724 PF phosphorus monofluoride pf  
725 PF- phosphorus monofluoride anion pf-  
726 PF+ phosphorus monofluoride cation pf+  
727 PCl phosphorus chloride pcl  
728 PCl- phosphorus monochloride anion pcl-  
729 PCl+ phosphorus monochloride cation pcl+  
730 AsF Arsenic monofluoride asf  
731 NBr nitrogen monobromide nbr  
732 AsCl Arsenic monochloride ascl  
733 PBr Phosphorus monobromide pbr  
734 SbF Antimony monofluoride sbf  
735 SbCl Antimony monochloride sbcl  
736 FO Oxygen monofluoride fo  
737 FO- flourine oxide anion fo-  
738 FO+ fluorine monoxide cation fo+  
739 ClO Monochlorine monoxide clo  
740 ClO- chlorine monoxide anion clo-  
741 ClO+ chlorine monoxide cation clo+  
742 SF Monosulfur monofluoride sf  
743 SF- sulfur monofluoride anion sf-  
744 SF+ sulfur monofluoride cation sf+  
745 SCl sulfur monochloride scl  
746 SCl- sulfur monochloride anion scl-  
747 SCl+ sulfur monochloride cation scl+  
748 BrO Bromine monoxide bro  
749 BrO- Bromine monoxide anion bro-  
750 BrO+ Bromine monoxide cation bro+  
751 SeF Selenium monofluoride sef  
752 SBr Sulfur monobromide radical sbr  
753 SBr+ Sulfur monobromide cation sbr+  
754 SeCl Selenium monochloride secl  
755 IO Iodine monoxide io  
756 SeBr Selenium monobromide sebr  
757 BrCl Bromine monochloride brcl  
758 F2- flourine diatomic anion f2-  
759 F2+ flourine diatomic cation f2+  
760 ClF Chlorine monofluoride clf  
761 ClF- clorine monofluoride anion clf-  
762 ClF+ clorine monofluoride cation clf+  
763 Cl2- chlorine diatomic anion cl2-  
764 Cl2+ chlorine diatomic cation cl2+  
765 BrF Bromine monofluoride brf  
766 BrF- bromine fluoride anion brf-  
767 BrF+ bromine fluoride cation brf+  
768 BrCl- bromine chloride anion brcl-  
769 BrCl+ bromine chloride cation brcl+  
770 IF Iodine monofluoride if  
771 Br2 Bromine diatomic br2  
772 Br2- bromine diatomic anion br2-  
773 Br2+ bromine diatomic cation br2+  
774 ICl Iodine monochloride icl  
775 IBr Iodine monobromide ibr  
776 I2 Iodine diatomic i2  
777 I2+ Iodine diatomic cation i2+  
778 HCF Fluoromethylene hcf  
779 HCCl Chloromethylene hccl  
780 HSiF fluorosilylene hsif  
781 HSiCl Chlorosilylene hsicl  
782 HSiBr monobromosilylene hsibr  
783 CHBr bromomethylene chbr  
784 HOF Hypofluorous acid hfo  
785 DOCl Hypochlorous acid-d docl  
786 HOCl hypochlorous acid hocl  
787 HOCl+ hypochlorous acid cation hocl+  
788 HOBr Hypobromous acid hobr  
789 HOBr+ Hypobromous acid cation hobr+  
790 HOI Hypoiodous acid hoi  
791 F2H+ Fluorine, protonated f2h+  
792 FHF Hydrogen difluoride fhf  
793 FHF- Hydrogen difluoride anion fhf-  
794 ClFH+ Chlorine fluoride, F-protonated clfh+  
795 FClH+ Chlorine fluoride, Cl-protonated fclh+  
796 Cl2H+ Chlorine, protonated cl2h+  
797 CH2Br bromomethyl radical ch2br  
798 CH2F fluoromethyl radical ch2f  
799 CH2F+ fluoromethyl cation ch2f+  
800 CH2Cl+ chloromethyl cation ch2cl+  
801 CH2Cl chloromethyl radical ch2cl  
802 NH2F monofluoroamine nh2f  
803 NH2Cl chloramine nh2cl  
804 H2F2 Hydrogen fluoride dimer h2f2  
805 CH3F+ methyl fluoride cation ch3f+  
806 CD3F methylfluoride-d3 cd3f  
807 CH3F Methyl fluoride ch3f  
808 CD3Cl methyl chloride d3 cd3cl  
809 CH3Cl Methyl chloride ch3cl  
810 CH3Cl+ Methyl chloride cation ch3cl+  
811 SiH3F monofluorosilane sih3f  
812 SiH3Cl chlorosilane sih3cl  
813 CH3Br methyl bromide ch3br  
814 GeH3F monofluorogermane geh3f  
815 GeH3Cl monochlorogermane geh3cl  
816 SiH3Br bromosilane sih3br  
817 CH3I methyl iodide ch3i  
818 SiH3I Silyl Iodide sih3i  
819 NH3Cl+ protonated monochloroammonia nh3cl+  
820 CH3ClH+ methyl chloride, protonated ch3clh+  
821 NH4Cl Ammonium chloride nh4cl  
822 LiNe+ Lithium Neon cation line+  
823 Ne2 Neon diatomic ne2  
824 Ne2+ Neon diatomic cation ne2+  
825 Ar2 Argon diatomic ar2  
826 Ar2+ Argon diatomic cation ar2+  
827 Li3 Lithium trimer li3  
828 Li3+ Lithium trimer cation li3+  
829 C3 carbon trimer c3  
830 C3+ carbon trimer cation c3+  
831 SiC2 Silicon dicarbide sic2  
832 C3H3 cyclopropenyl radical cpr  
833 C3H3 Propargyl radical propargyl  
834 C3H3- Propargyl anion c3h3-  
835 C3H3+ cyclopropenyl cation cpr+  
836 C3H3+ Propargyl cation c3h3+  
837 C3H4 cyclopropene cprop  
838 CH2CCH2 allene allene  
839 CH3CCH propyne propyne  
840 C3H5+ Allyl cation allyl+  
841 CH3CHCH 1-propenyl radical ch3chch  
842 Zn(CH3)2 dimethyl zinc dmz  
843 C3H7 n-Propyl radical npropyl  
844 C3H7+ cyclopropane, protonated c3h7+  
845 CH3CHCH3 Isopropyl radical isopropyl  
846 CH3CHCH3+ Isopropyl cation prop2yl+  
847 C3H8 Propane propane  
848 SiH2(CH3)2 dimethylsilane dms  
849 Si3H8 trisilane si3h8  
850 LiCN lithium cyanide licn  
851 NaCN Sodium Cyanide nacn  
852 KCN Potassium cyanide kcn  
853 CuCN Copper cyanide cucn  
854 ZnCN Zinc monocyanide zncn  
855 ZnNC Zinc isocyanide znnc  
856 AlCN Aluminum monocyanide alcn  
857 AlNC Aluminum isocyanide alnc  
858 CN2 3H-Diazirin-3-ylidene cn2  
859 CNN Diazocarbene cnn  
860 NCN Cyanoimidogen ncn  
861 N3 azide radical n3  
862 N3- azide anion n3-  
863 N3+ azide cation n3+  
864 HCCN cyanomethylene hccn  
865 HCNN diazomethyl radical hcnn  
866 HN3 hydrogen azide hn3  
867 HN3+ Hydrazoic acid cation hn3+  
868 HNCNH diiminomethane hncnh  
869 CH2N2 diazirine ch2n2  
870 CH2NN diazomethane ch2nn  
871 NH2CN cyanamide cyanamide  
872 HNNNH+ 1,2-Triazadienium n2h3+  
873 NH2NN+ hydrazoic acid, protonated nh2nn+  
874 CH3CN Acetonitrile ch3cn  
875 CH3CN- acetonitrile anion ch3cn-  
876 CH3CN+ Acetonitrile cation ch3cn+  
877 CH3NC methyl isocyanide ch3nc  
878 CHNCH2 2H-Azirine c157164  
879 CHNHCH 1H-Azirine chnhch  
880 H2CCNH Ethenimine ch2cnh  
881 H2CNCH methyleneaminomethylene ch2nch  
882 HCCNH2 Ethynamine hccnh2  
883 HCNCH2+ 2H-Azirine cation hcnch2+  
884 HNCNH2+ diiminomethane, protonated hncnh2+  
885 NCNH3+ Cyanamide, protonated ncnh3+  
886 NH2CNH+ cyanamide, cn protonated nh2cnh+  
887 NH3CN+ cyanamide, amine protonated nh3cn+  
888 CH2CHNH vinylazine ch2chnh  
889 CH3CHN methylmethaniminyl radical ch3chn  
890 NHCHNH2 aminomethanimine cn2h4  
891 C2H5N Aziridine c2h5n  
892 CH2CHNH2 aminoethene aminoethene  
893 CH2NCH3 N-methylmethanimine nmm  
894 CH3CHNH ethanimine ethanimine  
895 NH2BHNH2 diaminoborane nh2bhnh2  
896 C2H5NH+ Protonated Aziridine c2h5nh+  
897 C2H6N+ aziridine, protonated c2h6n+  
898 NH2CH2NH2 diaminomethane nh2ch2nh2  
899 CH3CH2NH2 Ethylamine etam  
900 CH3NHCH3 Dimethylamine ch3nhch3  
901 CH3PHCH3 dimethylphosphine ch3phch3  
902 NH2CH2NH3+ diaminoethane, protonated pdam  
903 (CH3)2NH2+ dimethylammonium cation dmam  
904 CH3CH2NH3+ ethylamine, protonated pea  
905 Li2O dilithium oxide li2o  
906 Li2O+ dilithium oxide cation li2o+  
907 Li2S dilithium sulfide li2s  
908 Na2O disodium monoxide na2o  
909 Na2S Sodium sulfide na2s  
910 LiO2 Lithium dioxide lio2  
911 NaO2 Sodium superoxide nao2  
912 CCO Dicarbon monoxide cco  
913 CNO- fulminate cno-  
914 NCO isocyanato radical nco  
915 NCO- cyanate nco-  
916 SCN thiocyanato radical scn  
917 SCN- thiocyanide anion scn-  
918 BO2 Boron dioxide bo2  
919 BO2- Boron dioxide anion bo2-  
920 BO2+ Boron dioxide cation bo2+  
921 N2O Nitrous oxide n2o  
922 N2O- Nitrous oxide anion n2o-  
923 N2O+ Nitrous oxide cation n2o+  
924 NNS Nitrogen sulfide nns  
925 PPO Phosphorus oxide phosphide ppo  
926 CO2- Carbon dioxide anion co2-  
927 CO2+ Carbon dioxide cation co2+  
928 OCS Carbonyl sulfide cos  
929 OCS+ Carbonyl sulfide cation cos+  
930 SiO2 silicon dioxide sio2  
931 CS2 Carbon disulfide cs2  
932 CS2- Carbon disulfide anion cs2-  
933 CS2+ Carbon disulfide cation cs2+  
934 TiO2 Titanium dioxide tio2  
935 SiS2 Silicon disulfide sis2  
936 GeO2 Germanium dioxide geo2  
937 OCSe Carbonyl selenide ocse  
938 SCSe Carbon sulfide selenide scse  
939 GeS2 Germanium disulfide ges2  
940 CSe2 Carbon diselenide cse2  
941 SCTe Carbon sulfide Telluride scte  
942 NO2 Nitrogen dioxide no2  
943 NO2- Nitrogen dioxide anion no2-  
944 NO2+ Nitrogen dioxide cation no2+  
945 NSO sulfinyl amidogen NSO  
946 PO2 Phosphorus dioxide po2  
947 PO2- Phosphorus dioxide anion po2-  
948 PO2+ Phosphorus dioxide cation po2+  
949 SNO Nitrogen oxide sulfide sno  
950 AsO2 Aresenic dioxide aso2  
951 O3 Ozone o3  
952 O3- Ozone anion o3-  
953 O3+ Ozone cation o3+  
954 SO2- Sulfur dioxide anion so2-  
955 SO2+ Sulfur dioxide cation so2+  
956 SSO Disulfur monoxide sso  
957 S3 Sulfur trimer s3  
958 S3- Sulfur trimer anion s3-  
959 S3+ Sulfur trimer cation s3+  
960 SeO2 Selenium dioxide seo2  
961 SeO2+ Selenium dioxide cation seo2+  
962 TeO2 Tellurium Dioxide teo2  
963 HCCO ketenyl radical ketenyl  
964 CS2H+ Carbon disulfide, protonated cs2h+  
965 HCNO fulminic acid hcno  
966 HNCO Isocyanic acid hnco  
967 HOCN cyanic acid hocn  
968 HNCS Isothiocyanic acid hncs  
969 HSCN thiocyanic acid hscn  
970 HCO2- formate anion hco2-  
971 HNNO nitrosoazane hnno  
972 HNNO+ Nitrous oxide, N-protonated hnno+  
973 NNOH+ Nitrous Oxide, O-protonated nnoh+  
974 HCOO formate neutral radical hcoo  
975 HOCO Hydrocarboxyl radical hoco  
976 HOCO+ Hydrocarboxyl cation hoco+  
977 HNO2 Nitrous acid hno2  
978 HNO2+ nitrous acid cation hno2+  
979 O3H+ protonated ozone o3h+  
980 SO2H+ protonated sulfur dioxide so2h+  
981 C2H2O Oxirene oxirene  
982 CH2CO Ketene ch2co  
983 CH2CO+ Ketene cation ch2co+  
984 HCCOH ethynol hccoh  
985 CH2CS Thioketene ch2cs  
986 Be(OH)2 Beryllium hydroxide beo2h2  
987 Mg(OH)2 Magnesium dihydroxide h2mgo2  
988 NH2NO Nitrosamide nh2no  
989 CH2O2 Dioxirane diox  
990 H2COO Dioxymethyl radical h2coo  
991 H2COO+ dioxymethyl cation h2coo+  
992 HCOOH Formic acid ch2o2  
993 H2O3 Hydrogen trioxide h2o3  
994 HSSSH trisulfane hsssh  
995 NaOCH3 Sodium methoxide naoch3  
996 CH2BOH hydroxy(methylene)borane ch2boh  
997 BH3CO Borane carbonyl bh3co  
998 CH3BO Borane, methyloxo- ch3bo  
999 CH2CHO Vinyloxy radical ch2cho  
1000 CH2COH+ ketene, protonated ch2coh+  
1001 CH3CO Acetyl radical ch3co  
1002 CH3CO- Acetyl anion ch3co-  
1003 CH3CO+ acetyl cation ch3co+  
1004 CH2NOH formaldoxime ch2noh  
1005 CH3NO nitrosomethane ch3no  
1006 CHONH2 formamide formamide  
1007 CNOH3 1,2-oxaziridine cnoh3  
1008 HOCHNH hydroxymethylimine hochnh  
1009 CHSNH2 thioformamide chsnh2  
1010 NHCHSH Methanimidothioic acid nhchsh  
1011 CH2OOH CH2OOH radical ch2ooh  
1012 CH3OO methylperoxy radical ch3oo  
1013 CH3OO- methylperoxy anion ch3oo-  
1014 CH3OO+ methylperoxy cation ch3oo+  
1015 C2H4O Ethylene oxide c2h4o  
1016 C2H4O+ ethylene oxide cation c2h4o+  
1017 CH2CHOH ethenol ch2choh  
1018 CH3CHO Acetaldehyde ch3cho  
1019 CH3CHO+ acetaldehyde cation ch3cho+  
1020 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
1021 C2H4S Thiirane thiirane  
1022 CH2CHSH Ethenethiol ch2chsh  
1023 CH3CHS Thioacetaldehyde ch3chs  
1024 H2CONH2+ protonated formamide h2conh2+  
1025 NH2CHOH+ Formamide, O-protonated nh2choh+  
1026 NH3CHO+ Formamide, N-Protonated nh3cho+  
1027 CH2(OH)2 methanediol ch2o2h2  
1028 CH3OOH Methyl peroxide ch3ooh  
1029 CH3SSH Hydrogen methyl disulfide ch3ssh  
1030 HSCH2SH Methanedithiol ch4s2  
1031 H2OH2CO water formaldehyde dimer h2oh2co  
1032 C2H4OH+ ethylene oxide, protonated c2h4oh+  
1033 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1034 CH3CH2O Ethoxy radical ethoxy  
1035 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1036 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1037 CH3OCH2 methoxymethyl radical ch3och2  
1038 NH2CH2OH aminomethanol nh2ch2oh  
1039 CH3CH2OH Ethanol etoh  
1040 CH3OCH3 Dimethyl ether meome  
1041 CH3CH2SH ethanethiol etsh  
1042 CH3SCH3 Dimethyl sulfide mesme  
1043 CH3SCH3+ dimethyl sulfide cation mesme+  
1044 CH3SeCH3 dimethylselenide dmse  
1045 CH3OHH2O methanol water dimer ch3ohh2o  
1046 H2OCH3OH water methanol dimer h2och3oh  
1047 CuF2 Copper difluoride cuf2  
1048 ZnF2 Zinc difluoride znf2  
1049 CNF iso cyanogen fluoride cnf  
1050 FCN Cyanogen fluoride fcn  
1051 ClCN chlorocyanogen clcn  
1052 BrCN Cyanogen bromide brcn  
1053 ICN Cyanogen iodide icn  
1054 FBO Boron monofluoride monoxide fbo  
1055 BeF2 Beryllium fluoride bef2  
1056 MgF2 Magnesium fluoride mgf2  
1057 BeCl2 Beryllium chloride becl2  
1058 MgCl2 Magnesium dichloride mgcl2  
1059 CaCl2 Calcium Chloride cacl2  
1060 ZnCl2 Zinc dichloride zncl2  
1061 BeBr2 Beryllium bromide bebr2  
1062 CaBr2 Calcium dibromide cabr2  
1063 CaF2 Calcium difluoride caf2  
1064 FCO Carbonyl fluoride fco  
1065 FCO+ Carbonyl fluoride cation fco+  
1066 ClCO carbonyl monochloride clco  
1067 BF2 Boron difluoride radical bf2  
1068 FNO Nitrosyl fluoride fno  
1069 ClNO Nitrosyl chloride clno  
1070 FNS Thionitrosyl fluoride fns  
1071 FSN Thiazyl fluoride fsn  
1072 OPCl Phosphorus oxychloride opcl  
1073 BrNO Nitrosyl bromide brno  
1074 INO Nitrosyl iodide ino  
1075 CF2 Difluoromethylene cf2  
1076 CF2- Difluoromethylene anion cf2-  
1077 CF2+ Difluoromethylene cation cf2+  
1078 CFCl chlorofluoromethylene cfcl  
1079 SiF2 Silicon difluoride sif2  
1080 SiF2+ Silicon difluoride cation sif2+  
1081 CCl2 dichloromethylene ccl2  
1082 CCl2- dichloromethylene anion ccl2-  
1083 CCl2+ dichloromethylene cation ccl2+  
1084 SiCl2 Dichlorosilylene sicl2  
1085 GeF2 Germanium difluoride gef2  
1086 GeCl2 Germanium dichloride gecl2  
1087 CBr2 dibromomethylene cbr2  
1088 FOO Dioxygen monofluoride radical foo  
1089 FOO+ Fluorine dioxide cation foo+  
1090 ClOO chloroperoxy radical cloo  
1091 ClOO+ chloroperoxy cation cloo+  
1092 OClO Chlorine dioxide oclo  
1093 OClO- Chlorine dioxide anion oclo-  
1094 OClO+ Chlorine dioxide cation oclo+  
1095 ClSO Sulfur chloride oxide clso  
1096 ClS2 Sulfur chloride cls2  
1097 BrOO Bromine dioxide broo  
1098 OBrO Bromine dioxide radical obro  
1099 NF2 Difluoroamino radical nf2  
1100 NF2+ Difluoroamino cation nf2+  
1101 PF2 Phosphorus difluoride pf2  
1102 PF2+ Phosphorus difluoride cation pf2+  
1103 FClO chlorosyl fluoride fclo  
1104 F2O Difluorine monoxide f2o  
1105 ClOF Chlorine hypofluorite clof  
1106 SF2 sulfur difluoride sf2  
1107 SF2- sulfur difluoride anion sf2-  
1108 SF2+ sulfur difluoride cation sf2+  
1109 Cl2O Dichlorine monoxide cl2o  
1110 SCl2 Sulfur dichloride scl2  
1111 SeF2 Selenium difluoride sef2  
1112 BrOCl Bromine hypochlorite brocl  
1113 SeCl2 Selenium Dichloride secl2  
1114 SBr2 Sulfur dibromide sbr2  
1115 SeBr2 Selenium dibromide sebr2  
1116 BrOBr Bromine oxide brobr  
1117 F3- trifluoride anion f3-  
1118 Cl3- trichloride anion cl3-  
1119 Br3- tribromide anion br3-  
1120 I3- triiodide i3-  
1121 SFCl Sulfur chloride fluoride sfcl  
1122 HCCF Fluoroacetylene hccf  
1123 HCCF+ fluoroacetylene cation hccf+  
1124 HCCCl Chloroacetylene hcccl  
1125 HCCBr bromoacetylene hccbr  
1126 HFCO formyl fluoride hfco  
1127 HFCO+ formyl fluoride cation hfco+  
1128 COHCl Formyl chloride cohcl  
1129 COHBr Formyl bromide cohbr  
1130 BHF2 Difluoroborane bhf2  
1131 BHCl2 Borane, dichloro- bhcl2  
1132 CHCl2 dichloromethyl radical chcl2  
1133 CHF2 difluoromethyl radical chf2  
1134 CHF2+ difluoromethyl cation chf2+  
1135 CHFCl Chlorofluoromethyl radical chfcl  
1136 CHFCl+ Chlorofluoromethyl cation chfcl+  
1137 CHCl2+ dichloromethyl cation chcl2+  
1138 CHBr2 dibromomethyl radical chbr2  
1139 HOClO Chlorous acid hoclo  
1140 NHF2 difluoramine nhf2  
1141 NHCl2 dichloroamine nhcl2  
1142 CH2F2 Methane, difluoro- ch2f2  
1143 CH2FCl fluorochloromethane ch2fcl  
1144 SiH2F2 difluorosilane sih2f2  
1145 CH2Cl2 Methylene chloride ch2cl2  
1146 CH2BrF Methane, bromofluoro- ch2fbr  
1147 CH2BrCl Methane, bromochloro- ch2clbr  
1148 CH2FI fluoroiodomethane ch2fi  
1149 CH2Br2 dibromomethane ch2br2  
1150 CH2ClI chloroiodomethane ch2cli  
1151 CH2BrI bromoiodomethane ch2bri  
1152 CH2I2 Diiodomethane ch2i2  
1153 SiH2Cl2 dichlorosilane sih2cl2  
1154 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1155 CH2CHF Ethene, fluoro- ch2chf  
1156 CH2CHF+ fluoroethene cation ch2chf+  
1157 C2H3Cl Ethene, chloro- ch2chcl  
1158 C2H3Br vinyl bromide c2h3br  
1159 C2H3I Vinyl iodide c2h3i  
1160 CH2FOH fluoromethanol ch2foh  
1161 CH3OCl methyl hypochlorite ch3ocl  
1162 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1163 CHClCH3 1-chloroethyl radical chclch3  
1164 C2H5F fluoroethane c2h5f  
1165 CH3CH2Cl Ethyl chloride c2h5cl  
1166 CH3SiFH2 fluoromethylsilane ch3sifh2  
1167 C2H5Br Ethyl bromide etbr  
1168 C2H5I Ethyl iodide c2h5i  
1169 KrF2 Krypton difluoride krf2  
1170 XeF2 Xenon difluoride xef2  
1171 B4H10 Tetraborane(10) b4h10  
1172 C4 Carbon tetramer c4  
1173 C4+ Carbon tetramer cation c4+  
1174 C4H2 Diacetylene c4h2  
1175 C4H2+ diacetlyene cation c4h2+  
1176 C2H3CCH 1-Buten-3-yne c2h3cch  
1177 C4H4 cyclobutadiene cbd  
1178 C4H4 Tetrahedrane c4h4  
1179 H2CCCCH2 Butatriene h2cccch2  
1180 C4H6 1-Methylcyclopropene c3100047  
1181 C4H6 Cyclobutene c822355  
1182 C4H6 Methylenecyclopropane c6142730  
1183 CH2CCHCH3 1,2-Butadiene butad12  
1184 CH2CHCHCH2 1,3-Butadiene c106990  
1185 CH3CCCH3 2-Butyne c503173  
1186 CHCCH2CH3 1-Butyne c107006  
1187 CH3CHCHCH2 methylallyl radical c4h7  
1188 C4H8 methylcyclopropane mcp  
1189 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1190 CH2CHCH2CH3 1-Butene bute1  
1191 CH3CHCHCH3 2-Butene, (E)- bute2e  
1192 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1193 B(CH3)3 trimethylborane bme3  
1194 Al(CH3)3 trimethyl aluminum tma  
1195 C(CH3)3 Tert-butyl radical tbutyl  
1196 CH2CH(CH3)2 Isobutyl radical isobutyl  
1197 CH3CHCH2CH3 2-Butyl radical butyl2  
1198 CH3CH(CH3)CH3 Isobutane isobutane  
1199 CH3CH2CH2CH3 Butane butane  
1200 SiH(CH3)3 trimethylsilane trimsi  
1201 Li3N trilithium nitride li3n  
1202 C2N2 Cyanogen c2n2  
1203 C2N2+ Cyanogen cation c2n2+  
1204 P4 Phosphorus tetramer p4  
1205 As4 Arsenic tetramer as4  
1206 HCCCN Cyanoacetylene hcccn  
1207 HCCCN+ Cyanoacetylene cation hcccn+  
1208 H2CNCN cyanamide, methylene ch2ncn  
1209 HNCCNH Ethenediimine hnccnh  
1210 C3H3N acrylonitrile ch2chcn  
1211 C3H3N+ acrylonitrile cation ch2chcn+  
1212 CH3N3 methyl azide ch3n3  
1213 NH2CCNH2 Diaminoacetylene daa  
1214 NH2CH2CN Aminoacetonitrile aan  
1215 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1216 C2H5CN ethyl cyanide c2h5cn  
1217 CH5N3 Guanidine guanidine  
1218 C4H6 Bicyclo[1.1.0]butane c157335  
1219 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1220 H2NCHCHNH2 diaminoethylene dae  
1221 CH6N3+ guanidinium ch6n3+  
1222 C3H7N Cyclopropylamine cpram  
1223 CH7N3 triaminomethane tam  
1224 C3H7N Azetidine azet  
1225 C4H8 cyclobutane cbutane  
1226 C2H8N2 Ethylenediamine ethdiam  
1227 CH3NHNHCH3 dimethyl hydrazine dmh  
1228 CH3CH(NH2)CH3 2-Propanamine pram2  
1229 N(CH3)3 Trimethylamine trimeam  
1230 NH2CH2CH2CH3 1-Propanamine pram1  
1231 P(CH3)3 trimethylphosphine tmp  
1232 N(SiH3)3 trisilylamine tsa  
1233 As(CH3)3 trimethyl arsine tmas  
1234 (CH3)3NH+ protonated trimethyl amine ptma  
1235 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1236 Li2O2 dilithium dioxide li2o2  
1237 Na2O2 disodium dioxide na2o2  
1238 K2O2 dipotassium dioxide k2o2  
1239 C3O Tricarbon monoxide c3o  
1240 B2O2 Diboron dioxide b2o2  
1241 ONNO NO dimer onno  
1242 S2N2 Disulfur dinitride s2n2  
1243 CO3 Carbon trioxide co3  
1244 CO3-- carbonate co3--  
1245 CS3-- Carbonotrithioate cs3--  
1246 NO3 Nitrogen trioxide no3  
1247 NO3- nitrate anion no3-  
1248 NO3+ nitrogen trioxide cation no3+  
1249 SO3 Sulfur trioxide so3  
1250 SO3- Sulfur trioxide anion so3-  
1251 SO3-- Sulfate dianion so3--  
1252 SO3+ Sulfur trioxide cation so3+  
1253 SeO3 selenium trioxide seo3  
1254 S4 Sulfur tetramer s4  
1255 TeO3 Tellurium trioxide teo3  
1256 HCO3- bicarbonate anion hco3-  
1257 HNO3 Nitric acid hno3  
1258 HSO3 Hydroxysulfonyl radical hso3  
1259 NH2NO2 nitramide nh2no2  
1260 C2H2CO cyclopropenone c2h2co  
1261 C3H2O Propadienal c3h2o  
1262 HCCCHO 2-propynal hcccho  
1263 C2H2O2 Ethanedial c2h2o2  
1264 C2H2O2+ Ethanedial cation c2h2o2+  
1265 H2CO3 Carbonic acid h2co3  
1266 H2CS3 thiocarbonic acid h2cs3  
1267 H2NO3+ Nitric Acid, Protonated h2no3+  
1268 H2SO3 Sulfurous acid h2so3  
1269 C2H3NO Nitrosoethylene c2h3no  
1270 CH3NCO methylisocyante ch3nco  
1271 HOCH2CN cyanomethanol hoch2cn  
1272 CH3COO- acetate anion ch3coo-  
1273 CH3NO2 Methane, nitro- ch3no2  
1274 CH3ONO Methyl nitrite ch3ono  
1275 NH2COOH Carbamic acid nh2cooh  
1276 H3BO3 Boric acid h3bo3  
1277 H3AlO3 Aluminum hydroxide h3alo3  
1278 H3CO3+ carbonic acid, protonated h3co3+  
1279 C3H4O 2-Propyn-1-ol c107197  
1280 C3H4O allenol c9000071  
1281 C3H4O Cyclopropanone cpone  
1282 C3H4O Methylketene c6004440  
1283 CH2CHCHO Acrolein c3h4o  
1284 NH2CONH2 Urea urea  
1285 NH2CONH2+ Urea cation urea+  
1286 NH2CSNH2 Thiourea thiourea  
1287 C2H4O2 1,3-dioxetane c2h4o2  
1288 CH3COOH Acetic acid ch3cooh  
1289 CH3OCHO methyl formate ch3ocho  
1290 CHOCH2OH hydroxy acetaldehyde haa  
1291 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1292 NH3COOH+ protonated Carbamic acid nh3cooh+  
1293 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1294 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1295 HCOOHH2O Formic acid water dimer hcoohh2o  
1296 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1297 CH3COCH2 Acetonyl radical ch3coch2  
1298 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1299 CH3C(OH)=NH Ethaninidic acid eia  
1300 CH3CHNOH Acetaldoxime acetaldoxime  
1301 CH3CONH2 Acetamide acetamide  
1302 HCONHCH3 N-methylformamide nmfa  
1303 CH3CSNH2 Ethanethioamide ch3csnh2  
1304 CH5N2O+ urea, N-protonated ch4n2o+  
1305 H2NCOHNH2+ urea, protonated ureah+  
1306 C2H5OO ethylperoxy radical c2h5oo  
1307 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1308 C3H5OH Cyclopropanol cproh  
1309 C3H6O 2-Propen-1-ol c107186  
1310 C3H6O Acetone enol enol  
1311 C3H6O Oxetane oxetane  
1312 C3H6O Propylene oxide prox  
1313 CH3CH2CHO Propanal propanal  
1314 CH3COCH3 Acetone acetone  
1315 CH3COCH3- acetone anion ch3coch3-  
1316 C3H6S Thietane thietane  
1317 C3H6S Thiirane, methyl- methiirane  
1318 CH3CSCH3 Thioacetone ch3csch3  
1319 C2H6O2 1,2-Ethanediol ethdiol  
1320 CH3OOCH3 dimethylperoxide dmp  
1321 CH3SOCH3 Dimethyl sulfoxide dmso  
1322 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1323 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1324 CH3COHCH3+ acetone, protonated acetoneh+  
1325 HOCH2CH2NH2 monoethanolamine mea  
1326 C3H7OH 1-Propanol proh  
1327 CH3CHOHCH3 Isopropyl alcohol isoproh  
1328 CH3OC2H5 Ethane, methoxy- etome  
1329 C3H7SH 1-Propanethiol prsh  
1330 CH3CHSHCH3 2-Propanethiol isoprsh  
1331 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1332 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1333 Li2F2 Lithium fluoride dimer li2f2  
1334 Na2F2 Sodium Fluoride Dimer na2f2  
1335 Na2Cl2 Disodium dichloride na2cl2  
1336 C2F2 difluoroacetylene c2f2  
1337 C2Cl2 dichloroacetylene c2cl2  
1338 C2Cl2+ dichloroacetylene cation c2cl2+  
1339 FNO2 Nitryl fluoride fno2  
1340 FONO Nitrosyl hypofluorite fono  
1341 ClNO2 Nitryl chloride clno2  
1342 ClONO chlorine nitrite clono  
1343 BrONO Bromine nitrite brono  
1344 N2F2 (Z)-Difluorodiazene n2f2_z  
1345 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1346 CF2O Carbonic difluoride f2co  
1347 CF2O+ Carbonic difluoride cation f2co+  
1348 COFCl Carbonic chloride fluoride cofcl  
1349 CCl2O Phosgene cl2co  
1350 Cl2CS Thiophosgene cl2cs  
1351 COBr2 Carbonic dibromide cobr2  
1352 BF3- Borane, trifluoro- anion bf3-  
1353 BF3+ boron trifluoride cation bf3+  
1354 BClF2 Chlorodifluoroborane bclf2  
1355 AlF2Cl Aluminum chloride difluoride alclf2  
1356 ScF3 Scandium trifluoride ScF3  
1357 AlFCl2 Aluminum dichloride fluoride alcl2f  
1358 BCl3 Borane, trichloro- bcl3  
1359 BCl3+ Boron Trichloride cation bcl3+  
1360 GaF3 Gallium trifluoride gaf3  
1361 AlCl3 Aluminum trichloride alcl3  
1362 GaCl3 Gallium trichloride gacl3  
1363 BBr3 Boron tribromide bbr3  
1364 AlBr3 Aluminum Bromide albr3  
1365 ClO3 Chlorine trioxide clo3  
1366 ClO3- chlorate anion clo3-  
1367 BrO3- Bromate anion bro3-  
1368 CF3 Trifluoromethyl radical cf3  
1369 CF3- Trifluoromethyl anion cf3-  
1370 CF3+ Trifluoromethyl cation cf3+  
1371 CF2Cl difluorochloromethyl radical cf2cl  
1372 SiF3 Silicon trifluoride radical sif3  
1373 SiF3+ Silicon trifluoride cation sif3+  
1374 CFCl2 dichlorofluoromethyl radical cfcl2  
1375 CCl3 Trichloromethyl radical ccl3  
1376 CCl3- Trichloromethyl anion ccl3-  
1377 CCl3+ Trichloromethyl cation ccl3+  
1378 SiCl3 trichlorosilyl radical sicl3  
1379 SiCl3+ trichlorosilyl cation sicl3+  
1380 CBr3 tribromomethyl radical cbr3  
1381 FOOF Perfluoroperoxide foof  
1382 ClO2F Chloryl fluoride clo2f  
1383 F2SO Thionyl Fluoride f2so  
1384 ClOOCl Dichlorine dioxide cloocl  
1385 FSSF Difluorodisulfane fssf  
1386 S2F2 Thio-thionyl fluoride s2f2  
1387 SOCl2 thionyl chloride socl2  
1388 SSCl2 Thiothionyl chloride sscl2  
1389 SeOCl2 selenium oxychloride seocl2  
1390 NF3 Nitrogen trifluoride nf3  
1391 NF3- Nitrogen trifluoride anion nf3-  
1392 NF3+ Nitrogen trifluoride cation nf3+  
1393 PF3 Phosphorus trifluoride pf3  
1394 NCl3 nitrogen trichloride ncl3  
1395 AsF3 Arsenic trifluoride asf3  
1396 PCl3 Phosphorus trichloride pcl3  
1397 SbF3 Antimony Trifluoride sbf3  
1398 AsCl3 Arsenous trichloride ascl3  
1399 SbCl3 Antimony Trichloride sbcl3  
1400 NBr3 Nitrogen Tribromide nbr3  
1401 PBr3 Phosphorus tribromide pbr3  
1402 AsBr3 Arsenic tribromide asbr3  
1403 NI3 Nitrogen triiodide ni3  
1404 PI3 Phosphorus triiodide pi3  
1405 ClSSCl Disulfur dichloride s2cl2  
1406 SF3 Sulfur trifluoride sf3  
1407 ClF3 Chlorine trifluoride clf3  
1408 BrF3 Bromine trifluoride brf3  
1409 IF3 iodone trifluoride if3  
1410 HClO3 Chloric Acid hclo3  
1411 CHF3 Methane, trifluoro- chf3  
1412 CHF2Cl difluorochloromethane chf2cl  
1413 SiHF3 trifluorosilane sihf3  
1414 CHFCl2 fluorodichloromethane chfcl2  
1415 CDCl3 trichloromethane-d cdcl3  
1416 CHCl3 Chloroform chcl3  
1417 CHBrF2 Methane, bromodifluoro- chbrf2  
1418 SiHCl3 Trichlorosilane sihcl3  
1419 CHFClBr fluorochlorobromomethane chfclbr  
1420 CHBrCl2 Methane, bromodichloro- chbrcl2  
1421 CHF2I difluoroiodomethane chf2i  
1422 CHBr2F dibromofluoromethane chbr2f  
1423 CHFClI fluorochloroiodomethane chfcli  
1424 CHCl2I dichloroiodomethane chcl2i  
1425 CHClBr2 Methane, dibromochloro- chclbr2  
1426 CHBr3 bromoform chbr3  
1427 CHI3 Iodoform chi3  
1428 NF3H+ protonated nitrogen trifluoride nf3h+  
1429 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1430 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1431 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1432 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1433 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1434 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1435 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1436 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1437 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1438 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1439 C2H2Br2 1,1-dibromoethene c2h2br2  
1440 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1441 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1442 CH2FCHO Fluoroacetaldehyde ch2fcho  
1443 CH3COF Acetyl fluoride ch3cof  
1444 CH2ClCHO chloroacetaldehyde ch2clcho  
1445 CH3COCl Acetyl Chloride ch3cocl  
1446 C2H4F2 1,2-difluoroethane c2h4f2  
1447 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1448 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1449 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1450 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1451 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1452 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1453 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1454 CH2CFCH3 2-fluoropropene 2fpro  
1455 CH2CHCH2F Allyl Fluoride allylf  
1456 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1457 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1458 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1459 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1460 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1461 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1462 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1463 CH2FCH2CH3 1-Fluoropropane prf1  
1464 CH3CHFCH3 2-Fluoropropane prf2  
1465 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1466 CH3CHClCH3 Propane, 2-chloro- prcl2  
1467 CH3CH2CH2Br n-propyl bromide prbr  
1468 CH3CHBrCH3 i-propyl bromide iprbr  
1469 C3H9O+ trimethyl oxonium cation c3h9o+  
1470 B5H9 pentaborane9 b5h9  
1471 C5H4 pentatetraene ptrene  
1472 C5H5 cyclopentadienyl radical c5h5  
1473 C5H5- cylopentadienyl anion c5h5-  
1474 C5H6 1,3-Cyclopentadiene c542927  
1475 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1476 C5H6 3-Penten-1-yne, (E)- c2004695  
1477 C5H6 3-Penten-1-yne, (Z)- c1574409  
1478 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1479 C5H6 Cyclopropylacetylene c6746947  
1480 C5H6 Propellane propellane  
1481 C5H7 1,3-pentadienyl radical pdyl  
1482 C5H7 cyclopentenyl radical cpyl  
1483 C5H8 1,2-Butadiene, 3-methyl- c598254  
1484 C5H8 1,2-Pentadiene c591957  
1485 C5H8 1,3-Butadiene, 2-methyl- c78795  
1486 C5H8 1,3-Pentadiene, (E)- c2004708  
1487 C5H8 1,3-Pentadiene, (Z)- c1574410  
1488 C5H8 1,4-Pentadiene c591935  
1489 C5H8 1-pentyne a1pentyne  
1490 C5H8 2,3-Pentadiene c591968  
1491 C5H8 Bicyclo[1.1.1]pentane bcp  
1492 C5H8 Cyclobutane, methylene- c1120565  
1493 C5H8 Cyclopentene c142290  
1494 C5H8 Ethenylcyclopropane c693867  
1495 CH3CCCH2CH3 2-Pentyne 2pentyne  
1496 C5H10 1-Butene, 2-methyl- c563462  
1497 C5H10 2-Butene, 2-methyl- c513359  
1498 C5H10 2-Pentene, (E)- c646048  
1499 C5H10 2-Pentene, (Z)- c627203  
1500 C5H10 Cyclopentane c287923  
1501 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1502 CH2CHCH2CH2CH3 1-pentene pentene  
1503 C5H11 2-Methylbut-2-yl radical c4348350  
1504 C5H12 Butane, 2-methyl- buta2  
1505 C5H12 Pentane pentane  
1506 C5H12 Propane, 2,2-dimethyl- neopentane  
1507 Si(CH3)4 tetramethylsilane tms  
1508 N2O3 Dinitrogen trioxide n2o3  
1509 C3H2N2 Malononitrile c3h2n2  
1510 CH2N4 1H-Tetrazole 1htz  
1511 C3H3N2 imidazolyl radical im  
1512 C3H3N2- imidizolyl anion im-  
1513 C2H3N3 1H-1,2,4-Triazole c288880  
1514 C4H4N pyrrolide radical c4h4n  
1515 C4H4N- pyrrolide anion c4h4n-  
1516 C3H4N2 1H-Imidazole 1himidaz  
1517 C3H4N2 1H-Pyrazole 1hpyraz  
1518 C3H4N2 2H-Imidazole imid2h  
1519 C3H4N2 4H-Imidazole imid4h  
1520 C4H5N (E)-2-Butenenitrile c627269  
1521 C4H5N (Z)-2-Butenenitrile c1190767  
1522 C4H5N 2H-pyrrole pyrrole2  
1523 C4H5N 3H-pyrrole pyrrole3  
1524 C4H5N Cyclopropanecarbonitrile c5500210  
1525 C4H5N Pyrrole pyrrole  
1526 CH2CHCH2CN Allylcyanide ch2chch2cn  
1527 C4H6N+ pyrrole, alpha-protonated appyr  
1528 C4H6N+ pyrrole, beta-protonated bppyr  
1529 C4H6N+ pyrrole, protonated ppyr  
1530 C3H6N2 3-Aminopropionitrile c151188  
1531 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1532 CH3CH2CH2CN Butanenitrile c109740  
1533 C5H8 Bicyclo[2.1.0]pentane c185944  
1534 C5H8 Spiropentane c157404  
1535 C4H9N Cyclobutylamine cbam  
1536 C4H9N Pyrrolidine pyrrolidine  
1537 C3H10N2 1,2-Diaminopropane diampr12  
1538 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1539 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1540 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1541 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1542 NH(C2H5)2 diethylamine dea  
1543 NC4H12+ tetramethyl ammonium cation nc4h12+  
1544 C3O2 Carbon suboxide c3o2  
1545 C3O2+ Carbon suboxide cation c3o2+  
1546 B2O3 diboron trioxide b2o3  
1547 MgCO3 Magnesium Carbonate mgco3  
1548 BeCO3 Beryllium Carbonate beco3  
1549 CaCO3 Calcium Carbonate caco3  
1550 ONONO Nitrosyl nitrite onono  
1551 PO4--- phosphate po4---  
1552 SO4-- sulfate so4--  
1553 HOONO2 peroxy nitric acid hoono2  
1554 HSO4- bisulfate anion hso4-  
1555 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1556 C3H2O2 Propiolic acid c3h2o2  
1557 CHOCOOH oxo acetic acid oaa  
1558 CHOOCHO diformyl ether choocho  
1559 H2SO4 Sulfuric acid h2so4  
1560 H2SeO4 Selenic acid h2seo4  
1561 C3H3NO Isoxazole isox  
1562 C3H3NO Oxazole oxazole  
1563 C3H3NS Thiazole thiazole  
1564 CH3C(O)OO acetyl peroxy radical ch3coo2  
1565 CH3NO3 Methyl nitrate ch3no3  
1566 H3PO4 Phosphoric Acid h3po4  
1567 C4H4O Furan furan  
1568 C4H4O+ Furan cation furan+  
1569 CH3COCCH 3-butyn-2-one c1423605  
1570 C4H4S Thiophene furans  
1571 C4H4Se selenophene c4h4se  
1572 C3H4O2 β–Propiolactone beta  
1573 C3H4O2 2-Propenoic acid propenoic2  
1574 C3H4O2 Methyl glyoxal megly  
1575 C3H4O2 propanedial propanedial  
1576 C3H4O2 propenalol propenalol  
1577 HOCHCCHOH allenediol aldiol  
1578 C2H4O3 1,2,3-trioxolane c2h4o3  
1579 C2H4O3 trioxolane124 triox  
1580 HOCH2COOH Hydroxyacetic acid hac  
1581 CH2CHCONH2 Acrylamide c79061  
1582 CH3OCH2CN Methoxyacetonitrile c1738369  
1583 CH5N3S Hydrazinecarbothioamide c79196  
1584 H2NCH2COOH Glycine glycine  
1585 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1586 C4H6O cis-2-butenal butenal2c  
1587 C4H6O Cyclobutanone cbutone  
1588 C4H6O Furan, 2,3-dihydro- furan23h  
1589 C4H6O Furan, 2,5-dihydro- furan25h  
1590 CH2CHOCHCH2 Vinyl ether vinylether  
1591 CHOCHCHCH3 2-Butenal butenal2  
1592 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1593 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1594 CH2CHSCHCH2 Divinyl sulfide divis  
1595 C2H6N2O Urea, methyl- c598505  
1596 C3H6O2 1,3-Dioxolane dioxolane  
1597 CH3CH2COOH Propanoic Acid propanoic  
1598 CH3COOCH3 methyl acetate aame  
1599 HCOOC2H5 Ethyl formate faee  
1600 C2H6O2S Dimethyl sulfone c67710  
1601 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1602 C3H7NO dimethylformamide dmf  
1603 C3H7NO Propanamide propanam  
1604 C2H3OC2H5 Ethene, ethoxy- c109922  
1605 C4H8O Cyclobutanol c2919235  
1606 C4H8O Furan, tetrahydro- thf  
1607 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1608 CH3COCH2CH3 2-Butanone buta2one  
1609 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1610 CHOCH2CH2CH3 Butanal butanal  
1611 C4H8S Thiophene, tetrahydro- tht  
1612 C3H8O2 1,3-Propanediol c504632  
1613 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1614 C3H8O2 Methane, dimethoxy- c109875  
1615 C3H8O2 Propylene glycol c57556  
1616 C3H8S2 1,3-Propanedithiol c109808  
1617 C4H10O 1-Butanol butanol1  
1618 C4H10O 1-Propanol, 2-methyl- c78831  
1619 C4H10O 2-Butanol, (.+/-.)- butanol2  
1620 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1621 C4H10O Ethoxy ethane etoet  
1622 C4H10O Methyl propyl ether meopr  
1623 C4H10O Propane, 2-methoxy- c598538  
1624 C4H10O+ 1-Butanol cation butanol1+  
1625 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1626 C2H5SC2H5 Diethyl sulfide etset  
1627 C4H9SH 1-Butanethiol bush  
1628 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1629 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1630 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1631 FNO3 Fluorine nitrate fno3  
1632 ClONO2 Chlorine nitrate clono2  
1633 BrONO2 Bromine nitrate brono2  
1634 TiCl4 Titanium tetrachloride ticl4  
1635 ClO4- perchlorate anion clo4-  
1636 BF4- tetrafluoroboron anion bf4-  
1637 ClFO3 Perchloryl fluoride clfo3  
1638 SO2F2 Sulfuryl fluoride so2f2  
1639 SO2Cl2 Sulfuryl chloride so2cl2  
1640 F3NO Nitrogen trifluoride oxide f3no  
1641 F3PO Phosphoryl fluoride pf3o  
1642 Cl3PO Phosphoryl chloride pcl3o  
1643 CF4 Carbon tetrafluoride cf4  
1644 CF3Cl Methane, chlorotrifluoro- cf3cl  
1645 SiF4 Silicon tetrafluoride sif4  
1646 CF2Cl2 difluorodichloromethane cf2cl2  
1647 TiF4 Titanium tetrafluoride tif4  
1648 CFCl3 Trichloromonofluoromethane cfcl3  
1649 CF3Br Bromotrifluoromethane cf3br  
1650 GeF4 Germanium tetrafluoride gef4  
1651 CCl4 Carbon tetrachloride ccl4  
1652 CCl4+ Carbon tetrachloride cation ccl4+  
1653 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1654 SiCl4 Silane, tetrachloro- sicl4  
1655 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1656 CF3I trifluoroiodomethane cf3i  
1657 CBrCl3 Methane, bromotrichloro- cbrcl3  
1658 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1659 GeCl4 Germanium Tetrachloride gecl4  
1660 CBr2ClF dibromochlorofluoromethane cbr2clf  
1661 CBr2Cl2 dibromodichloromethane cbr2cl2  
1662 CCl3I trichloroiodomethane ccl3i  
1663 CFBr3 fluorotribromomethane cfbr3  
1664 CFClBrI fluorochlorobromoiodomethane cfclbri  
1665 CBr3Cl tribromochloromethane cbr3cl  
1666 CF2I2 difluorodiiodomethane cf2i2  
1667 CBr4 Carbon tetrabromide cbr4  
1668 CCl2I2 dichlorodiiodomethane ccl2i2  
1669 SiBr4 Silicon tetrabromide sibr4  
1670 CBr3I tribromoiododmethane cbr3i  
1671 GeBr4 Germanium tetrabromide gebr4  
1672 CI4 tetraiodomethane ci4  
1673 SiI4 silicon tetraiodide sii4  
1674 ClOF3 Chlorine trifluoride oxide clof3  
1675 SF4 Sulfur tetrafluoride sf4  
1676 SeF4 Selenium tetrafluoride sef4  
1677 SCl4 Sulfur tetrachloride scl4  
1678 C2HF3 Trifluoroethylene c2hf3  
1679 C2HF3+ Trifluoroethylene cation c2hf3+  
1680 CHClCCl2 Trichloroethylene chclccl2  
1681 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1682 HClO4 perchloric acid hclo4  
1683 HSO3F Fluorosulfonic acid hso3f  
1684 CF3OH trifluoromethanol cf3oh  
1685 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1686 CHClCCHCl 1,3-dichloroallene chclcchcl  
1687 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1688 CHCl2CHO dichloroacetaldehyde chcl2cho  
1689 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1690 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1691 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1692 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1693 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1694 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1695 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1696 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1697 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1698 NH3BCl3 Amminetrichloroboron nh3bcl3  
1699 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1700 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1701 C3H5ClO Oxirane, (chloromethyl)- c106898  
1702 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1703 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1704 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1705 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1706 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1707 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1708 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1709 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1710 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1711 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1712 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1713 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1714 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1715 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1716 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1717 C4H9F 1-fluorobutane butaf1  
1718 CH3CHFCH2CH3 2-fluorobutane butaf2  
1719 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1720 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1721 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1722 XeF4 Xenon tetrafluoride xef4  
1723 C2H2N2O Furazan furazan  
1724 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1725 NH3BF3 Amminetrifluoroboron nh3bf3  
1726 C6H2 hexatriyne c6h2  
1727 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1728 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1729 C6H4 Benzyne benzyne  
1730 C6H5 phenyl phenyl  
1731 C6H5- phenyl anion phenyl-  
1732 C6H6 Prismane prismane  
1733 C6H6 1,2,4,5-Hexatetraene ht1245  
1734 C6H6 2,4-Hexadiyne hexadiyne  
1735 C6H6 3,4-Dimethylenecyclobutene cb34m  
1736 C6H6 Benzene benzene  
1737 C6H6 Benzvalene bv  
1738 C6H6 Dewar Benzene dewar  
1739 C6H6 Hexa-1,5-diene-3-yne hdy153  
1740 C6H6 Trimethylenecycopropane tmcp  
1741 C6H6+ Benzene cation c6h6+  
1742 C6H7+ benzene, protonated c6h7+  
1743 C6H8 (E)-hexa-1,3,5-triene c821078  
1744 C6H8 (E)-hexa-2,3,4-triene c59660650  
1745 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1746 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1747 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1748 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1749 C6H8 3-Methylenecyclopentene c930267  
1750 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1751 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1752 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1753 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1754 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1755 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1756 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1757 C6H10 1,5-Hexadiene c592427  
1758 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1759 C6H10 1-Hexyne hexyne1  
1760 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1761 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1762 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1763 C6H10 2-Hexyne c764352  
1764 C6H10 3-Hexyne hexyne3  
1765 C6H10 cyclohexene cyclohexene  
1766 C6H10 Cyclopentene, 1-methyl- c693890  
1767 C6H10 Cyclopentene, 3-methyl- c1120623  
1768 C6H10 Cyclopentene, 4-methyl- c1759815  
1769 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1770 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1771 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1772 C6H12 (E)-2-Hexene e2hexene  
1773 C6H12 (E)-3-methylpent-2-ene c616126  
1774 C6H12 (E)-hex-3-ene e3hexene  
1775 C6H12 (Z)-3-methylpent-2-ene c922623  
1776 C6H12 (Z)-hex-2-ene z2hexene  
1777 C6H12 (Z)-hex-3-ene z3hexene  
1778 C6H12 2,3-dimethylbut-1-ene c563780  
1779 C6H12 2,3-dimethyl-but-2-ene tmeet  
1780 C6H12 3-methylenepentane c760214  
1781 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1782 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1783 C6H12 Cyclohexane cyclohexane  
1784 C6H12 Cyclopentane, methyl- c96377  
1785 C6H12 Ethylcyclobutane c4806615  
1786 C6H12 hex-1-ene hexene1  
1787 C6H14 Butane, 2,2-dimethyl- buta22  
1788 C6H14 Butane, 2,3-dimethyl- buta23  
1789 C6H14 Hexane hexane  
1790 C6H14 Pentane, 2-methyl- penta2  
1791 C6H14 Pentane, 3-methyl- penta3  
1792 C4N2 2-Butynedinitrile c4n2  
1793 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1794 C4H2N2 Fumaronitrile c4h2n2  
1795 C2H2N4 sym-tetrazine ttz  
1796 C3H3N3 1,3,5-Triazine triazine135  
1797 CH3N5 5-Aminotetrazole c4418615  
1798 C4H4N2 1,3-Diazine diazine13  
1799 C4H4N2 Pyrazine pyrazine  
1800 C4H4N2 Pyridazine pyridazine  
1801 C4H4N2 Succinonitrile c110612  
1802 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1803 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1804 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1805 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1806 C5H5N E-2,4-pentadienenitrile bdcn  
1807 C5H5N Pyridine pyridine  
1808 B3N3H6 borazine borazine  
1809 C6H6 Fulvene fulvene  
1810 C5H6N+ Pyridinium c5h6n  
1811 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1812 C5H7N (E)-2-Pentenenitrile c26294984  
1813 C5H7N (E)-3-Pentenenitrile c16529661  
1814 C5H7N (Z)-2-Pentenenitrile c25899507  
1815 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1816 C5H7N Cyclobutanecarbonitrile c4426113  
1817 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1818 C5H9N Butanenitrile, 2-methyl- c18936179  
1819 C5H9N Pentanenitrile c110598  
1820 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1821 C6H10 Bicyclo[3.1.0]hexane c285585  
1822 C5H11N Cyclopentanamine cypentam  
1823 C5H11N Piperidine piper  
1824 C4H12N2 1,2-Butanediamine c4426486  
1825 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1826 Li2CO3 Lithium Carbonate li2co3  
1827 Na2CO3 Sodium Carbonate na2co3  
1828 C2O4-- oxalate anion c2o4  
1829 MgSO4 Magnesium Sulfate mgso4  
1830 N2O4 Dinitrogen tetroxide n2o4  
1831 C3H2O3 vinylene carbonate vica  
1832 C2H2O4 Oxalic Acid oxalic  
1833 C2H3NO3 Oxamic acid oxamic  
1834 C4H4O2 2(5H)-Furanone furanone  
1835 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1836 C2H4N2O2 Oxalamide oxalamide  
1837 C2H4N2S2 Ethanedithioamide c79403  
1838 C2H4CO3 Ethylene carbonate etco3  
1839 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1840 C3H4S3 1,3-Dithiolane-2-thione c822388  
1841 C2H4O4 Formic acid dimer fadimer  
1842 C4H5NO 3-Methylisoxazole isox3m  
1843 C4H5NO Isoxazole, 5-methyl- c5765446  
1844 C4H5NS 4-Methylthiazole c693958  
1845 C2H5NO3 Nitric acid, ethyl ester c625581  
1846 C5H6O 2H-Pyran pyran2  
1847 C5H6O 2-methylfuran furan2m  
1848 C5H6O 3-Methylfuran furan3m  
1849 C5H6O Pentadienal pdal  
1850 C5H6S Thiophene, 2-methyl- c554143  
1851 C5H6S Thiophene, 3-methyl- c616444  
1852 C4H6O2 γ–Butyrolactone c96480  
1853 C4H6O2 2,3-Butanedione c431038  
1854 C4H6O2 2-Propenoic acid, methyl ester c96333  
1855 C4H6O2 Crotonic Acid crot  
1856 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1857 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1858 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1859 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1860 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1861 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1862 C4H6OS Vinyl sulfoxide c1115157  
1863 CH6N4S Carbonothioic dihydrazide thiacarb  
1864 C2H6N2O2 (E)-Azodioxymethane c37765154  
1865 C2H6N2O2 Dimethylnitroamine c4164287  
1866 C3H6O3 1,3,5-Trioxane trioxane  
1867 C3H6S3 1,3,5-Trithiane c3h6s3  
1868 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1869 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1870 C4H7NO 2-Pyrrolidinone c616455  
1871 C4H7NO Ethoxyacetonitrile etoaccn  
1872 C4H7NO Methacrylamide c79390  
1873 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1874 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1875 C3H7ONO Propyl nitrite prono  
1876 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1877 CH3CH(NH2)COOH Alanine alanine  
1878 CH3NHCH2COOH Sarcosine sarcosine  
1879 NH2CH2CH2COOH β–alanine betaalanine  
1880 NH2COOC2H5 Urethane urethane  
1881 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1882 C5H8O Cyclopentanone c120923  
1883 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1884 C5H8O Methyl cyclopropyl ketone c765435  
1885 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1886 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1887 NH2CONHC2H5 Urea, ethyl- c625525  
1888 C4H8O2 1,3-Dioxane dioxan13  
1889 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1890 C4H8O2 1,4-Dioxane dioxan14  
1891 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1892 C4H8O2 Ethyl acetate c141786  
1893 C4H8OS s-Ethyl thioacetate c625605  
1894 C3H8O3 1,2,3-Propanetriol glycerin  
1895 C3H8O2S (Methylsulfonyl)ethane c594434  
1896 C4H9NO Butanamide c541355  
1897 C4H9NO Propanamide, 2-methyl- c563837  
1898 C5H10O 2-Butanone, 3-methyl- c563804  
1899 C5H10O 2H-Pyran, tetrahydro- c142687  
1900 C5H10O 2-methylbutyraldehyde 2meba  
1901 C5H10O 2-Pentanone mpk  
1902 C5H10O 3-Pentanone dek  
1903 C5H10O Cyclopentanol c96413  
1904 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1905 C5H10O Pentanal pal  
1906 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1907 C5H10S 3-Ethylthio-1-propene c5296628  
1908 C5H10S Cyclopentanethiol c1679078  
1909 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1910 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1911 C4H10O2 1,1-Dimethoxyethane c534156  
1912 C4H10O2 1,3-Butanediol budiol13  
1913 C4H10O2 1,4-Butanediol budiol14  
1914 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1915 C4H10OS Diethyl sulfoxide c70291  
1916 C4H10S2 1,4-Butanedithiol budisl14  
1917 C4H11NO Diethylhydroxylamine c3710847  
1918 C5H12O 1-Butanol, 2-methyl- c137326  
1919 C5H12O 1-Butanol, 3-methyl- c123513  
1920 C5H12O 1-Pentanol pentanol1  
1921 C5H12O 2-Butanol, 3-methyl- c598754  
1922 C5H12O 2-Pentanol peol2  
1923 C5H12O 3-Pentanol pentan3ol  
1924 C5H12O Butane, 1-methoxy- meobu  
1925 C5H12O Propane, 1-ethoxy- proet  
1926 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1927 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1928 C5H12S 1-Butanethiol, 3-methyl- c541311  
1929 C5H12S 1-Pentanethiol c110667  
1930 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1931 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1932 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1933 C5H12S Butane, 1-(methylthio)- c628295  
1934 C5H12S Ethyl propyl sulfide c4110503  
1935 C5H12S Propane, 2-(ethylthio)- c5145993  
1936 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1937 C4F2 difluorobutadiyne c4f2  
1938 ClCOClCO Oxalyl chloride oxcl  
1939 CF3CN Acetonitrile, trifluoro- cf3cn  
1940 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1941 B2F4 Diboron tetrafluoride b2f4  
1942 B2Cl4 Diboron tetrachloride b2cl4  
1943 C2F4 Tetrafluoroethylene c2f4  
1944 C2F4+ Tetrafluoroethylene cation c2f4+  
1945 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1946 CF2CCl2 difluorodichloroethylene cf2ccl2  
1947 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1948 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1949 C2FCl3 fluorotrichloroethene c2fcl3  
1950 C2Cl4 Tetrachloroethylene c2cl4  
1951 C2Br4 tetrabromoethene c2br4  
1952 CF3OF Trifluoromethylhypofluorite cf3of  
1953 SiF5- silicon pentafluoride anion sif5-  
1954 SOF4 Sulfur tetrafluoride oxide sof4  
1955 PF5 Phosphorus pentafluoride pf5  
1956 AsF5 Arsenic pentafluoride asf5  
1957 PCl5 Phosphorus pentachloride pcl5  
1958 SF5 Sulfur pentafluoride sf5  
1959 SF5+ pentafluoro sulfur cation sf5+  
1960 SbCl5 Antimony pentachloride sbcl5  
1961 BrF5 bromine pentafluoride brf5  
1962 ClF5 chlorinepentafluoride clf5  
1963 IF5 pentafluoroiodine if5  
1964 CF3CHO trifluoroacetaldehyde cf3cho  
1965 CCl3CHO trichloroacetaldehyde ccl3cho  
1966 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1967 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1968 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1969 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1970 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1971 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1972 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1973 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1974 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1975 CF3COOH trifluoroacetic acid cf3cooh  
1976 C4H3ClO Furan, 2-chloro fur2cl  
1977 C4H3ClO Furan,3-chloro fur3cl  
1978 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1979 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1980 C4H8Cl2 1,4-Dichlorobutane c110565  
1981 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1982 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1983 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1984 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1985 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1986 C5H11Cl Pentane, 1-chloro- pencl1  
1987 C4H8O2 Butanoic acid bua  
1988 C6H5CH2 benzyl radical benzyl  
1989 C7H7 cycloheptatrienyl radical c7h7  
1990 C7H7+ cycloheptatrienyl cation c7h7+  
1991 C6H5CH3 toluene toluene  
1992 C7H8 cycloheptatriene cht  
1993 C7H8 Norbornadiene norbor  
1994 C7H8 Quadricyclane qucy  
1995 C7H12 Norbornane nor  
1996 C7H14 cycloheptane c7h14  
1997 C7H16 2-methylhexane 2mhex  
1998 C7H16 3-methylhexane hex3m  
1999 C7H16 heptane heptane  
2000 CH(CN)3 tricyanomethane mecn3  
2001 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
2002 C6H7N 2-Methylpyridine mp  
2003 C6H5NH2 aniline aniline  
2004 C6H13N 2-Methylpiperidine pip2m  
2005 C6H13N cyclohexanamine cham  
2006 C6H15N triethylamine tea  
2007 N2O5 Dinitrogen pentoxide n2o5  
2008 C4H2O3 Maleic Anhydride malan  
2009 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
2010 C5H4O2 furfural furfural  
2011 C6H5O phenoxy radical phenoxy  
2012 C5H5NO 2(1H)-Pyridinone c72762006  
2013 C5H5NO 2(3H)-Pyridinone c9000048  
2014 C5H5NO 2(5H)-Pyridinone c9000037  
2015 C5H5NO 2-Pyridinol c109104  
2016 C5H5NO 3(2H)-Pyridinone c9000004  
2017 C5H5NO 3(4H)-Pyridinone c9000026  
2018 C5H5NO 3(6H)-Pyridinone c9000015  
2019 C5H5NO 3-Pyridinol c109002  
2020 C5H5NO 4(1H)-Pryidinone c9000060  
2021 C5H5NO 4(3H)-Pryidinone c9000059  
2022 C5H5NO 4-Pyridinol c626642  
2023 C6H5OH phenol phenol  
2024 C6H6O 2,4-Cyclohexadienone c24599573  
2025 C6H6O 2,5-Cyclohexadienone c5664335  
2026 C6H5SH Benzenethiol phsh  
2027 HO2CCHNH2CH2OH Serine serine  
2028 C5H8O2 Acetylacetone acac  
2029 C4H8O2S Sulfolane sulfolane  
2030 C7H10 Norbornene norbornene  
2031 CH(C2H3)3 trivinyl methane tvm  
2032 C6H10O cyclohexanone chexo  
2033 C6H12O hexanal c6h12o  
2034 C6H12O Oxepane oxepane  
2035 C3H7OC3H7 di-n-propyl ether propr  
2036 F2CCCF2 tetrafluoroallene pfa  
2037 CF3COO- trifluoro acetate anion cf3coo-  
2038 CF3COF trifluoroacetyl fluoride cf3cof  
2039 CF3COCl trifluoroacetyl chloride cf3cocl  
2040 PF6 Hexafluorophosphate neutral pf6  
2041 PF6- Hexafluorophosphate ion pf6-  
2042 SF6 Sulfur Hexafluoride sf6  
2043 SeF6 Selenium hexafluoride sef6  
2044 SF5Cl sulfur chloropentafluoride sf5cl  
2045 CF3CHF2 pentafluoroethane cf3chf2  
2046 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
2047 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2048 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2049 CCl3CHCl2 pentachloroethane ccl3chcl2  
2050 C6H5F Fluorobenzene bzf  
2051 C6H5Cl chlorobenzene bzcl  
2052 C6H5Br bromobenzene bzbr  
2053 C8H6 Calicene calicene  
2054 C6H5CCH phenylacetylene phac  
2055 C8H6 benzocyclobutadiene bcbd  
2056 C8H6 Pentalene pentalene  
2057 C6H5CHCH2 Styrene styrene  
2058 C8H8 cubane cubane  
2059 C8H8 cyclooctatetraene cot  
2060 C6H5CH2CH3 Ethylbenzene etbz  
2061 CH3C6H4CH3 meta-xylene mxylene  
2062 CH3C6H4CH3 paraxylene pxylene  
2063 C8H14 Bicyclo[2.2.2]octane bico222  
2064 C8H16 cyclooctane cyclooct  
2065 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2066 C8H18 Octane c8h18  
2067 C6H5CN phenyl cyanide phcn  
2068 C6H12N2 Triethylenediamine ted  
2069 C4O4-- squarate dianion c4o4--  
2070 S4N4 Tetrasulfur tetranitride s4n4  
2071 S8 Octasulfur s8  
2072 C6H4O2 parabenzoquinone pbq  
2073 C4H4N2O2 Uracil uracil  
2074 C6H5CHO benzaldehyde benzal  
2075 C6H5OCH3 Anisole anisole  
2076 C5H9NO2 Proline proline  
2077 C6H12O2 Methyl pivalate c598981  
2078 C6H12O2 Hexanoic acid hexa  
2079 C4F4 tetrafluorcyclobutadiene c4f4  
2080 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2081 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2082 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2083 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2084 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2085 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2086 C2F6 hexafluoroethane c2f6  
2087 C2Cl6 hexachloroethane c2cl6  
2088 IF7 Iodine heptafluoride if7  
2089 C6H4F2 metadifluorobenzene mdfb  
2090 C6H4F2 orthodifluorobenzene odfb  
2091 C6H4F2 1,4-difluorobenzene pdfb  
2092 C6H4Cl2 1,2-dichlorobenzene dcb12  
2093 C6H4Cl2 1,3-dichlorobenzene dcb13  
2094 C6H4Cl2 1,4-dichlorobenzene dcb14  
2095 C6H5NO nitrosobenzene bzno  
2096 C9H8 Indene indene  
2097 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2098 C9H12 n-propyl benzene prbz  
2099 C9H20 Nonane nonane  
2100 C(CN)4 tetracyanomethane c5n4  
2101 C5H4N4 purine purine  
2102 C8H7N Indole indole  
2103 C3H3N3O3 cyanuric acid cyanuric  
2104 C6H5NO2 Nitrobenzene c6h5no2  
2105 C6H5COOH benzoic acid benzo  
2106 CH3COC6H5 acetophenone acph  
2107 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2108 C3F6 hexafluoropropene c3f6  
2109 C6H3F3 Benzene trifluoride 123 bzf3a  
2110 C8H18O 1-Octanol octanol  
2111 C10H8 Azulene azu  
2112 C10H8 naphthalene naph  
2113 C10H10 bullvalene bullv  
2114 C10H16 adamantane adamantane  
2115 C6N4 Tetracyanoethylene tcne  
2116 C6N4- tetracyanoethylene anion tcne-  
2117 C10H22 Decane decane  
2118 C4F6 perfluorobutadiene c4f6  
2119 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2120 C3F8 perfluoropropane c3f8  
2121 Fe(CO)5 Iron pentacarbonyl ipc  
2122 Fe(C5H5)2 ferrocene fecp2  
2123 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2124 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2125 C12H8 Acenaphthylene acenaph  
2126 C12H8 biphenylene biph  
2127 C12H10 biphenyl biphenyl  
2128 C12H10 Heptalene heptalene  
2129 C6H12O6 Inositol inositol  
2130 C6F6 hexafluorobenzene c6f6  
2131 S2F10 disulphur decafluoride s2f10  
2132 C13H10 Fluorene fluorene  
2133 C14H10 Anthracene anth  
2134 C14H10 Phenanthrene phenanthrene  
2135 C14H14 Bibenzyl bibenzyl  
2136 C12H10N2 azobenzene azobenzene  
2137 C6H5COC6H5 benzophenone benzophenone  
2138 C16H10 Pyrene pyrene  
2139 C18H12 Tetracene tetracene  
2140 C19H16 Triphenylmethane tpm  
2141 C24H12 Coronene coronene  
2142 C60 Buckminsterfullerene c60