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-121G

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