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

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

List of which calculations are completed at ROMP2 /CEP-121G*

Jump to calculations not yet done
count Species Name State Conformation
1 Li Lithium atom 2SKh
2 Na Sodium atom 2SKh
3 Be+ Beryllium atom cation 2SKh
4 Mg+ Magnesium atom cation 2SKh
5 B Boron atom 2PKh
6 B Boron atom 4PKh
7 B+ Boron atom cation 1SKh
8 Al Aluminum atom 2PKh
9 C Carbon atom 3P0Kh
10 Si Silicon atom 3PKh
11 N Nitrogen atom 4SKh
12 N Nitrogen atom 2DKh
13 P Phosphorus atom 4SKh
14 O Oxygen atom 3SKh
15 S Sulfur atom 3PKh
16 OH Hydroxyl radical 2ΠC∞v
17 F Fluorine atom 2PKh
18 Cl Chlorine atom 2PKh
19 NO Nitric oxide 2ΠC∞v
20 O2 Oxygen diatomic 3ΣgD∞h

Species NOT done yet
count Species Name file name problem
1 D Deuterium atom d  
2 D- Deuterium atom anion d-  
3 D+ Deuterium atom cation d+  
4 H Hydrogen atom 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 anion na-  
22 Na+ Sodium atom cation na+  
23 K Potassium atom k  
24 K- Potassium atom anion k-  
25 K+ Potassium atom cation k+  
26 Cu Copper atom cu  
27 Cu- Copper atom anion cu-  
28 Cu+ Copper atom cation cu+  
29 LiH Lithium Hydride lih  
30 LiH- lithium hydride anion lih-  
31 LiH+ lithium hydride cation lih+  
32 NaH sodium hydride nah  
33 NaH- sodium hydride anion nah-  
34 NaH+ sodium hydride cation nah+  
35 KH Potassium hydride kh  
36 KH+ Potassium hydrogen cation kh+  
37 CuH Copper monohydride cuh  
38 Be Beryllium atom be  
39 Be- Beryllium atom anion be-  
40 Mg Magnesium atom mg  
41 Mg- Magnesium atom anion mg-  
42 Ca Calcium atom ca  
43 Ca- Calcium atom anion ca-  
44 Ca+ Calcium atom cation ca+  
45 Zn Zinc atom zn  
46 Zn- Zinc atom anion zn-  
47 Zn+ Zinc atom cation zn+  
48 BeH beryllium monohydride beh  
49 BeH- berylium monohydride anion beh-  
50 BeH+ beryllium monohydride cation beh+  
51 MgH magnesium monohydride mgh  
52 MgH- magnesium monohydride anion mgh-  
53 MgH+ magnesium monohydride cation mgh+  
54 CaH Calcium monohydride cah  
55 CaH+ Calcium monohydride cation cah+  
56 TiH Titanium monohydride tih  
57 ZnH Zinc monohydride znh  
58 ZnH+ Zinc, protonated znh+  
59 BeH2 beryllium dihydride beh2  
60 BeH2+ Beryllium dihydride cation beh2+  
61 MgH2 magnesium dihydride mgh2  
62 CaH2 Calcium Hydride cah2  
63 ZnH2 Zinc hydride znh2  
64 B- Boron atom anion b-  
65 Al- Aluminum atom anion al-  
66 Al+ Aluminum atom cation al+  
67 Sc Scandium atom sc  
68 Sc+ Scandium cation sc+  
69 Ga Gallium atom ga  
70 Ga- Gallium atom anion ga-  
71 Ga+ Gallium atom cation ga+  
72 BH Boron monohydride bh  
73 BH- boron monohydride anion bh-  
74 BH+ boron monohydride cation bh+  
75 AlH aluminum monohydride alh  
76 AlH- aluminum monohydride anion alh-  
77 AlH+ aluminum monohydride cation alh+  
78 ScH Scandium monohydride sch  
79 ScH+ Scandium monohydride cation sch+  
80 GaH Gallium monohydride gah  
81 GaH+ Gallium monohydride cation gah+  
82 BH2 boron dihydride bh2  
83 BH2- boron dihydride anion bh2-  
84 BH2+ Boron dihydride cation bh2+  
85 AlH2 aluminum dihydride alh2  
86 AlH2- aluminum dihydride anion alh2-  
87 AlH2+ aluminum dihydride cation alh2+  
88 BH3 boron trihydride bh3  
89 BH3- boron trihydride anion bh3-  
90 BH3+ boron trihydride cation bh3+  
91 AlH3 aluminum trihydride alh3  
92 AlH3- aluminum trihydride anion alh3-  
93 AlH3+ aluminum trihydride cation alh3+  
94 ScH3 Scandium trihydride sch3  
95 GaH3 Gallium trihydride gah3  
96 BH4 borohydride bh4  
97 BH4- borohydride anion bh4-  
98 AlH4- Aluminum tetrahydride anion alh4-  
99 C- Carbon atom anion c-  
100 C+ Carbon atom cation c+  
101 Si- Silicon atom anion si-  
102 Si+ Silicon atom cation si+  
103 Ti Titanium atom ti  
104 Ti- Titanium atom anion ti-  
105 Ti+ Titanium atom cation ti+  
106 Ge Germanium atom ge  
107 Ge- Germanium anion ge-  
108 Ge+ Germanium cation ge+  
109 Sn Tin atom sn  
110 Sn+ Tin cation sn+  
111 CH Methylidyne ch  
112 CH- methylidyne anion ch-  
113 CH+ Methylidyne cation ch+  
114 SiH Silylidyne sih  
115 SiH- silicon monohydride anion sih-  
116 SiH+ silicon monohydride cation sih+  
117 GeH germylidene geh  
118 GeH+ Germaniun monohyrdide cation geh+  
119 CH2 Methylene ch2  
120 CH2- methylene anion ch2-  
121 CH2+ methylene cation ch2+  
122 SiH2 silicon dihydride sih2  
123 SiH2- silicon dihydride anion sih2-  
124 SiH2+ silicon dihydride cation sih2+  
125 GeH2 germylene geh2  
126 GeH2- germylene anion geh2-  
127 CH3 Methyl radical ch3  
128 CH3- methyl anion ch3-  
129 CH3+ methyl cation ch3+  
130 SiH3 Silyl radical sih3  
131 SiH3- Silyl anion sih3-  
132 SiH3+ Silyl cation sih3+  
133 GeH3 Germyl radical geh3  
134 GeH3+ germyl cation geh3+  
135 CD4 methane-d4 cd4  
136 CH2D2 methane-d2 ch2d2  
137 CH3D methane-d ch3d  
138 CH4 Methane ch4  
139 CH4- Methane anion ch4-  
140 CH4+ Methane cation ch4+  
141 CHD3 methane-d3 chd3  
142 SiH2D2 silane-d2 sih2d2  
143 SiH4 Silane sih4  
144 SiH4+ Silane cation sih4+  
145 GeH4 Germane geh4  
146 SnH4 Stannane snh4  
147 SiH5+ Silane, protonated sih5+  
148 N- Nitrogen atom anion n-  
149 N+ Nitrogen atom cation n+  
150 P- Phosphorus atom anion p-  
151 P+ Phosphorus atom cation p+  
152 V Vanadium atom v  
153 V+ Vanadium atom cation v+  
154 As Arsenic atomic as  
155 As- Arsenic anion as-  
156 As+ Arsenic cation as+  
157 Sb Antimony atom sb  
158 NH Imidogen nh  
159 NH- Imidogen anion nh-  
160 NH+ imidogen cation nh+  
161 PH phosphorus monohydride ph  
162 PH- phosphorus monohydride anion ph-  
163 PH+ phosphorus monohydride cation ph+  
164 AsH Arsenic monohydride ash  
165 AsH+ Arsenic monohydride cation ash+  
166 SbH Antimony monohydride sbh  
167 ND2 Amidogen-d2 nd2  
168 NH2 Amino radical nh2  
169 NH2- amino anion nh2-  
170 NH2+ Amino cation nh2+  
171 PH2 Phosphino radical ph2  
172 PH2- Phosphino anion ph2-  
173 PH2+ Phosphino cation ph2+  
174 AsH2 Arsenic dihydride ash2  
175 AsH2+ Arsenic dihydride cation ash2+  
176 ND3 Ammonia-d3 nd3  
177 NH3 Ammonia nh3  
178 NH3- Ammonia anion nh3-  
179 NH3+ ammonia cation nh3+  
180 PH3 Phosphine ph3  
181 PH3+ Phosphine cation ph3+  
182 AsH3 Arsine ash3  
183 AsH3+ Arsine cation ash3+  
184 SbH3 Stibine sbh3  
185 AsH4+ Arsonium ash4+  
186 NH4 Ammonium radical nh4  
187 NH4+ ammonium cation nh4+  
188 PH4 Phosphoranyl radical ph4  
189 PH4+ phosphonium cation ph4+  
190 O- Oxygen atom anion o-  
191 O+ Oxygen atom cation o+  
192 S- Sulfur atom anion s-  
193 S+ Sulfur atom cation s+  
194 Cr Chromium atom cr  
195 Se Selenium atom se  
196 Se- Selenium atom anion se-  
197 Se+ Selenium atom cation se+  
198 Te Tellurium atom te  
199 Te+ Tellurium atom cation te+  
200 DO Hydroxyl-d od  
201 OH- hydroxide anion oh-  
202 OH+ hydoxyl cation oh+  
203 DS Mercapto-d ds  
204 HS Mercapto radical hs  
205 HS- mercapto anion sh-  
206 HS+ sulfur monohydride cation sh+  
207 CrH Chromium hydride crh  
208 CrH+ Chromium hydride cation crh+  
209 HSe Selenium monohydride hse  
210 HSe- selenium monohydride anion hse-  
211 HSe+ selenium monohydride cation hse+  
212 TeH Telluryl radical teh  
213 D2O Deuterium oxide d2o  
214 H2O Water h2o  
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 F+ Fluorine atom cation f+  
230 Cl- Chlorine atom anion cl-  
231 Cl+ Chlorine atom cation cl+  
232 Mn Manganese atom mn  
233 Br Bromine atom br  
234 Br- Bromine atom anion br-  
235 Br+ Bromine atom cation br+  
236 I Iodine atom iodine  
237 I- Iodine atom anion iodine-  
238 I+ Iodine atom cation iodine+  
239 DF Hydrofluoric acid-d df  
240 HF Hydrogen fluoride hf  
241 HF- hydrogen fluoride anion hf-  
242 HF+ hydrogen fluoride cation hf+  
243 DCl Hydrochloric acid-d dcl  
244 HCl Hydrogen chloride hcl  
245 HCl- hydrogen chloride anion hcl-  
246 HCl+ hydrogen chloride cation hcl+  
247 HBr hydrogen bromide hbr  
248 HBr- hydrogen bromide anion hbr-  
249 HBr+ hydrogen bromide cation hbr+  
250 HI Hydrogen iodide hi  
251 HI+ Hydrogen iodide cation hi+  
252 H2F+ dihydrogen fluoride cation h2f+  
253 H2Cl+ dihydrogen monochloride cation h2cl+  
254 H2Br+ protonated hydrogen bromide h2br+  
255 H2I+ Iodonium h2i+  
256 Ne Neon atom ne  
257 Ne- Neon atom anion ne-  
258 Ne+ Neon atom cation ne+  
259 Ar Argon atom ar  
260 Ar- Argon atom anion ar-  
261 Ar+ Argon atom cation ar+  
262 Fe Iron atom fe  
263 Kr Krypton atom kr  
264 Kr+ Krypton cation kr+  
265 Xe Xenon atom xe  
266 HeLi+ Helium Lithium cation heli+  
267 NeH neon hydrogen neh  
268 NeH+ neon hydrogen cation neh+  
269 ArH+ Argon hydride cation arh+  
270 KrH+ Protonated Krypton krh+  
271 XeH+ Xenon, protonated xeh+  
272 H2Ar H2 Ar dimer h2ar  
273 Co Cobalt atom cobalt  
274 Ni Nickel atom ni  
275 Li2 Lithium diatomic li2  
276 Li2- lithium diatomic anion li2-  
277 Li2+ lithium diatomic cation li2+  
278 NaLi lithium sodium lina  
279 NaLi- lithium sodium anion lina-  
280 NaLi+ lithium sodium cation lina+  
281 LiK Lithium Potassium lik  
282 Na2 Sodium diatomic na2  
283 Na2- sodium diatomic anion na2-  
284 Na2+ sodium diatomic cation na2+  
285 NaK Sodium Potassium nak  
286 NaK+ Sodium Potassium diatomic cation nak+  
287 K2 Potassium diatomic k2  
288 Cu2 Copper diatomic cu2  
289 LiBe Lithium Beryllium libe  
290 LiMg Lithium magnesium limg  
291 NaBe Sodium Beryllium nabe  
292 NaMg Sodium Magnesium namg  
293 Be2 Beryllium diatomic be2  
294 Be2- Beryllium diatomic anion be2-  
295 Be2+ Beryllium diatomic cation be2+  
296 BeMg Beryllium Magnesium bemg  
297 Mg2 Magnesium diatomic mg2  
298 Mg2- magnesium diatomic anion mg2-  
299 Mg2+ magnesium diatomic cation mg2+  
300 Ca2 Calcium diatomic ca2  
301 LiB Lithium boride lib  
302 LiAl Lithium Aluminum lial  
303 NaAl Sodium aluminum naal  
304 BeB Beryllium monoboride beb  
305 B2 Boron diatomic b2  
306 B2- Boron diatomic anion b2-  
307 B2+ Boron diatomic cation b2+  
308 BAl Boron Aluminum bal  
309 Al2 Aluminum diatomic al2  
310 Al2- aluminum diatomic anion al2-  
311 Al2+ aluminum diatomic cation al2+  
312 BGa Boron Gallium bga  
313 AlGa Aluminum Gallium alga  
314 Ga2 Gallium diatomic ga2  
315 HBBH Diborane(2) hbbh  
316 LiBH4 Lithium borohydride libh4  
317 B2H4 Diborane(4) D2d b2h4  
318 HBHHBH Diborane(4) C2V hbhhbh  
319 B2H6 Diborane b2h6  
320 B2H6+ Diborane cation b2h6  
321 Al2H6 dialane al2h6  
322 Ga2H6 digallane ga2h6  
323 LiC Lithium Carbide lic  
324 BeC Beryllium Carbide bec  
325 CaC Calcium monocarbide cac  
326 BC boron monocarbide bc  
327 BC- boron monocarbide anion bc-  
328 BC+ boron monocarbide cation bc+  
329 AlC Aluminum carbide alc  
330 BSi Boron silicide bsi  
331 C2 Carbon diatomic c2  
332 C2- carbon diatomic anion c2-  
333 C2+ carbon diatomic cation c2+  
334 SiC silicon monocarbide sic  
335 SiC- silicon monocarbide anion sic-  
336 SiC+ silicon monocarbide cation sic+  
337 Si2 Silicon diatomic si2  
338 Si2- silcon diatomic anion si2-  
339 Si2+ silcon diatomic cation si2+  
340 GeC Germanium monocarbide gec  
341 SiGe Silicon Germanium sige  
342 Ge2 Germanium diatomic ge2  
343 C2H Ethynyl radical c2h  
344 C2H- Ethynyl anion c2h-  
345 C2H+ Ethynyl cation c2h+  
346 ZnCH2 Zinc methylene znch2  
347 C2H2 Acetylene c2h2  
348 C2H2+ acetylene cation c2h2+  
349 CCH2 vinylidene vinylidene  
350 H2CC- vinylidene anion h2cc-  
351 HCCH- acetylene anion c2h2-  
352 Si2H2 disilyne si2h2  
353 CH3Li methyl lithium ch3li  
354 CuCH3 monomethyl copper cuch3  
355 ZnCH3 Zinc monomethyl znch3  
356 CH2BH methyleneborane ch2bh  
357 C2H3 vinyl c2h3  
358 C2H3- vinyl anion c2h3-  
359 C2H3+ vinyl cation c2h3+  
360 C2H4 Ethylene c2h4  
361 C2H4- Ethylene anion c2h4-  
362 C2H4+ Ethylene cation c2h4+  
363 CH3CH methylmethylene ch3ch  
364 CH2SiH2 silaethylene ch2sih2  
365 Si2H4 Disilene si2h4  
366 CH3BH2 methylborane ch3bh2  
367 C2H5 Ethyl radical c2h5  
368 C2H5- Ethyl anion c2h5-  
369 C2H5+ Ethyl cation c2h5+  
370 C2H6 Ethane c2h6  
371 C2H6+ ethane cation c2h6+  
372 CH3SiH3 methyl silane ch3sih3  
373 Si2H6 disilane si2h6  
374 GeH3CH3 methyl germane geh3ch3  
375 C2H7+ Ethane, protonated c2h7+  
376 LiN Lithium Nitride lin  
377 LiN+ Lithium Nitride cation lin+  
378 LiP Lithium monophosphide lip  
379 BeN Beryllium mononitride ben  
380 BeN- Beryllium mononitride anion ben-  
381 BeN+ Beryllium mononitride cation ben+  
382 MgN Magnesium Nitride mgn  
383 BN- boron nitride anion bn-  
384 AlN- aluminum mononitride anion aln-  
385 AlN+ aluminum mononitride cation aln+  
386 BP Boron monophosphide bp  
387 AlP Aluminum monophosphide alp  
388 GaN Gallium mononitride gan  
389 GaP Gallium monophosphide gap  
390 GaAs Gallium arsenide gaas  
391 BN boron nitride bn  
392 BN+ boron nitride cation bn+  
393 AlN Aluminum nitride aln  
394 CN Cyano radical cn  
395 CN- cyanide anion cn-  
396 CN+ Cyano cation cn+  
397 CP Carbon monophosphide cp  
398 CP- carbon monophosphide anion cp-  
399 CP+ carbon monophosphide cation cp+  
400 SiN Silicon nitride sin  
401 SiN- silicon mononitride anion sin-  
402 SiN+ silicon mononitride cation sin+  
403 SiP Silicon monophosphide sip  
404 SiP- Silicon monophosphide anion sip-  
405 SiP+ Silicon monophosphide cation sip+  
406 TiN Titanium mononitride tin  
407 N2 Nitrogen diatomic n2  
408 N2- nitrogen diatomic anion n2-  
409 N2+ diatomic nitrogen cation n2+  
410 PN Phosphorus mononitride pn  
411 PN- phosphorus nitride anion pn-  
412 PN+ phosphorus nitride cation pn+  
413 P2 Phosphorus diatomic p2  
414 P2- phosphorus diatomic anion p2-  
415 P2+ phosphorus diatomic cation p2+  
416 AsN Arsenic mononitride asn  
417 AsP Arsenic monophosphide asp  
418 SbN Antimony nitride sbn  
419 As2 Arsenic diatomic as2  
420 HNB hydrogen nitrogen boron hnb  
421 HNC hydrogen isocyanide hnc  
422 HCN Hydrogen cyanide hcn  
423 HCN- Hydrogen cyanide anion hcn-  
424 HCN+ hydrogen cyanide cation hcn+  
425 HNC+ hydrogen isocyanide cation hnc+  
426 HCP Phosphaethyne hcp  
427 HCP+ Phosphaethyne cation hcp+  
428 NNH Dinitrogen monohydride nnh  
429 NNH+ Dinitrogen monohydride cation nnh+  
430 HPO Hydrogen phosphorus oxide hpo  
431 HPO+ Hydrogen phosphorus oxide cation hpo+  
432 LiNH2 lithium amide linh2  
433 HBNH Boranimine hbnh  
434 CNH2 Aminomethylidyne radical cnh2  
435 CNH2+ N-protonated hydrogen isocyanide cnh2+  
436 H2CN Dihydrogen cyanide radical h2cn  
437 H2CN+ hydrocyanonium cation h2cn+  
438 HCNH methyleneazane hcnh  
439 HCNH+ N-protonated HCN hcnh+  
440 H2NN Isodiazene h2nn  
441 N2H2 (E)-diazene n2h2  
442 N2H2 (Z)-Diazene n2h2z  
443 N2H2+ trans-diazene cation n2h2+  
444 CH2NH Methanimine ch3n  
445 CH2NH+ Methanimine cation ch2nh+  
446 CHNH2 aminomethylene chnh2  
447 CHNH2+ Aminocarbene cation chnh2+  
448 CH2PH Phosphaethene ch3p  
449 BH2NH2 Boranamine bh2nh2  
450 CH2NH2+ methyleneamine cation ch2nh2+  
451 N2H4 Hydrazine n2h4  
452 N2H4+ hydrazine cation n2h4+  
453 P2H4 Diphosphine p2h4  
454 CH3NH2 methyl amine ch3nh2  
455 CH3NH2+ methyl amine cation ch3nh2+  
456 CH3PH2 Methyl phosphine ch3ph2  
457 SiH3NH2 Silane, amino sih3nh2  
458 N2H5+ protonated hydrazine n2h5+  
459 BH3PH3 borane phosphine bh3ph3  
460 BH3NH3 borane ammonia bh3nh3  
461 CH3NH3 methyl ammonium radical ch3nh3  
462 CH3NH3+ protonated methylamine ch3nh3+  
463 CH3PH3+ methyl phosphine, protonated ch3ph3+  
464 NH3NH3 Ammonia Dimer nh3nh3  
465 N2H7+ ammonia ammonium dimer n2h7+  
466 LiO lithium oxide lio  
467 LiO- lithium oxide anion lio-  
468 LiO+ lithium oxide cation lio+  
469 LiS Lithium monosulfide lis  
470 LiS+ Lithium sulfide cation lis+  
471 NaO sodium monoxide nao  
472 NaO- sodium oxide anion nao-  
473 NaO+ sodium oxide cation nao+  
474 KO Potassium monoxide ko  
475 KO+ Potassium monoxide cation ko+  
476 NaS Sodium sulfide nas  
477 CuO Copper Monoxide cuo  
478 LiSe Lithium monoselenide lise  
479 BeO beryllium oxide beo  
480 BeO- Beryllium monoxide anion beo-  
481 BeO+ Beryllium monoxide cation beo+  
482 BeS beryllium sulfide bes  
483 MgO magnesium oxide mgo  
484 MgO- magnesium oxide anion mgo-  
485 MgO+ magnesium oxide cation mgo+  
486 CaO Calcium monoxide cao  
487 MgS magnesium sulfide mgs  
488 MgS- magnesium sulfide anion mgs-  
489 MgS+ magnesium sulfide cation mgs+  
490 CaS Calcium sulfide cas  
491 ZnO zinc monoxide zno  
492 ZnS Zinc sulfide zns  
493 BeS- Beryllium monosulfide anion bes-  
494 BeS+ Beryllium monosulfide cation bes+  
495 BO boron monoxide bo  
496 BO- boron monoxide anion bo-  
497 AlO Aluminum monoxide alo  
498 AlO- Aluminum monoxide anion alo-  
499 AlO+ aluminum monoxide cation alo+  
500 BS boron sulfide bs  
501 BS- boron monosulfide anion bs-  
502 BS+ boron monosulfide cation bs+  
503 AlS Aluminum sulfide als  
504 AlS- aluminum monosulfide anion als-  
505 AlS+ aluminum monosulfide cation als+  
506 ScO Scandium monoxide sco  
507 GaO Gallium monoxide gao  
508 GaS Gallium monosulfide gas  
509 BO+ boron monoxide cation bo+  
510 CO Carbon monoxide co  
511 CO- carbon monoxide anion co-  
512 CO+ carbon monoxide cation co+  
513 CS carbon monosulfide cs  
514 CS- carbon monosulfide anion cs-  
515 CS+ carbon monosulfide cation cs+  
516 SiO Silicon monoxide sio  
517 SiO- silicon monoxide anion sio-  
518 SiO+ silicon monoxide cation sio+  
519 SiS silicon monosulfide sis  
520 SiS- silicon monosulfide anion sis-  
521 SiS+ silicon monosulfide cation sis+  
522 TiO Titanium monoxide tio  
523 CSe Carbon monoselenide cse  
524 CSe- Carbon monoselenide anion cse-  
525 CSe+ Carbon monoselenide cation cse+  
526 GeO Germanium monoxide geo  
527 GeO+ Germanium monoxide cation geo+  
528 GeS Germanium monosulfide ges  
529 SiSe Silicon Monoselenide sise  
530 SiSe+ Silicon Monoselenide cation sise+  
531 GeSe Germanium monoselenide gese  
532 NO- nitric oxide anion no-  
533 NO+ nitric oxide cation no+  
534 NS Mononitrogen monosulfide ns  
535 NS- nitrogen sulfide anion ns-  
536 NS+ nitrogen sulfide cation ns+  
537 PO Phosphorus monoxide po  
538 PO- phosphorus monoxide anion po-  
539 PO+ phosphorus monoxide cation po+  
540 PS phosphorus sulfide ps  
541 PS- phosphorus monosulfide anion ps-  
542 PS+ phosphorus monosulfide cation ps+  
543 VO Vanadium monoxide vo  
544 AsO Arsenic monoxide aso  
545 NSe Nitrogen monoselenide nse  
546 AsS Arsenic monosulfide ass  
547 PSe Phosphorus monoselenide pse  
548 AsSe Arsenic monoselenide asse  
549 O2- oxygen diatomic anion o2-  
550 O2-- dioxygen dianion o2--  
551 O2+ diatomic oxygen cation o2+  
552 SO Sulfur monoxide so  
553 SO- sulfur monoxide anion so-  
554 SO+ sulfur monoxide cation so+  
555 S2 Sulfur diatomic s2  
556 S2- sulfur diatomic anion s2-  
557 S2+ sulfur diatomic cation s2+  
558 SeO Selenium monoxide seo  
559 SeO- selenium monoxide anion seo-  
560 SeO+ selenium monoxide cation seo+  
561 SeS Selenium monosulfide ses  
562 SeS- selenium monosulfide anion ses-  
563 SeS+ selenium monosulfide cation ses+  
564 TeO Tellurium monoxide teo  
565 Se2 Selenium diatomic se2  
566 Se2- selenium diatomic anion se2-  
567 Se2+ selenium diatomic cation se2+  
568 Te2 Tellurium diatomic te2  
569 LiOH lithium hydroxide lioh  
570 NaOH sodium hydroxide naoh  
571 KOH Potassium hydroxide koh  
572 BeOH beryllium monohydroxide beoh  
573 MgOH magnesium hydroxide mgoh  
574 CaOH Calcium monohydroxide caoh  
575 HBO Boron hydride oxide hbo  
576 HBS hydrogen boron sulfide hbs  
577 COH Hydroxymethylidyne coh  
578 COH+ Carbon Monoxide, protonated coh+  
579 HCO Formyl radical hco  
580 HCO- formyl anion hco-  
581 HCO+ Formyl cation hco+  
582 HCS Thioformyl radical hcs  
583 HCS- Thioformyl anion hcs-  
584 HCS+ Thioformyl cation hcs+  
585 HNO Nitrosyl hydride hno  
586 HNO- Nitrosyl hydride anion hno-  
587 HNO+ Nitrosyl hydride cation hno+  
588 NOH Hydroxyimidogen noh  
589 NOH+ O-protonated nitric oxide noh+  
590 HNS Sulfur imide hns  
591 HNS- Sulfur imide anion hns-  
592 HO2 Hydroperoxy radical ho2  
593 HO2- Hydroperoxy anion ho2-  
594 HO2+ Hydroperoxy cation ho2+  
595 HSO+ Sulfur Monoxide, S-protonated HSO+  
596 SOH Sulfur Hydroxide soh  
597 SOH+ Sulfur Monoxide, protonated soh+  
598 HS2 Thiosulfeno radical hs2  
599 H2CO Formaldehyde h2co  
600 H2CO- formaldehyde anion h2co-  
601 H2CO+ formaldehyde cation h2co+  
602 HOCH hydroxycarbene hoch  
603 H2CS Thioformaldehyde h2cs  
604 H2CS- thioformaldehyde anion h2cs-  
605 H2CS+ thioformaldehyde cation h2cs+  
606 H2CSe Selenoformaldehyde h2cse  
607 H2NO nitroxide h2no  
608 H2O2 Hydrogen peroxide h2o2  
609 H2O2+ Hydrogen peroxide cation h2o2+  
610 H2OO water oxide h2oo  
611 HOSH hydrogen thioperoxide hosh  
612 H2S2 Disulfane h2s2  
613 H2S2+ hydrogen disulfide cation h2s2+  
614 H2Se2 hydrogen diselenide h2se2  
615 CH2OH Hydroxymethyl radical ch2oh  
616 CH2OH+ hydroxymethyl cation ch2oh+  
617 CH3O Methoxy radical ch3o  
618 CH3O- methoxy anion ch3o-  
619 CH3O+ Methoxy cation ch3o+  
620 CH3S thiomethoxy ch3s  
621 H2CSH+ Thioformaldehyde, protonated h2csh+  
622 NH2OH hydroxylamine nh2oh  
623 NH2OH+ Hydroxylamine cation nh2oh+  
624 NH3O Ammonia Oxide nh3o  
625 H2POH Phosphinous acid h2poh  
626 H3PO Phosphine oxide h3po  
627 NH2SH Thiohydroxylamine nh2sh  
628 NH3S sulfidoazane nh3s  
629 H3O2+ hydrogen peroxide, protonated h3o2+  
630 CH3OH Methyl alcohol ch3oh  
631 CH3OH- Methyl alcohol anion ch3oh-  
632 CH3OH+ Methyl alcohol cation ch3oh+  
633 CH3SH Methanethiol ch3sh  
634 CH3SH+ Methanethiol cation ch3sh+  
635 SiH3OH silanol sih3oh  
636 CH3SeH Methane selenol ch3seh  
637 NH2OH2+ protonated hydroxylamine nh2oh2+  
638 NH3OH+ N-protonated hydroxylamine nh3oh+  
639 H2OH2O water dimer h2oh2o  
640 CH3OH2+ Methanol, protonated ch3oh2+  
641 CH3SH2+ protonated methylsulfide ch3sh2+  
642 H2ONH3 Water Ammonia Dimer h2onh3  
643 H5O2+ Dihydroxonium ion h5o2+  
644 LiF lithium fluoride lif  
645 LiCl lithium chloride licl  
646 LiCl- lithium chloride anion licl-  
647 LiCl+ lithium chloride cation licl+  
648 NaF sodium fluoride naf  
649 NaF- sodium fluoride anion naf-  
650 NaF+ sodium fluoride cation naf+  
651 KF Potassium Fluoride kf  
652 NaCl Sodium Chloride nacl  
653 NaCl- sodium chloride anion nacl-  
654 NaCl+ sodium chloride cation nacl+  
655 KCl Potassium Chloride kcl  
656 CuF Copper monofluoride cuf  
657 LiBr Lithium Bromide libr  
658 LiBr- lithium bromide anion libr-  
659 LiBr+ lithium bromide cation libr+  
660 CuCl Copper monochloride cucl  
661 NaBr Sodium Bromide nabr  
662 NaBr- sodium bromide anion nabr-  
663 NaBr+ sodium bromide cation nabr+  
664 KBr Potassium Bromide kbr  
665 LiI Lithium Iodide lii  
666 NaI Sodium Iodide nai  
667 KI Potassium Iodide ki  
668 LiF- lithium fluoride anion lif-  
669 LiF+ lithium fluoride cation lif+  
670 BeF Beryllium monofluoride bef  
671 BeF- Beryllium monofluoride anion bef-  
672 BeF+ Beryllium monofluoride cation bef+  
673 BeCl beryllium monochloride becl  
674 MgF Magnesium monofluoride mgf  
675 MgF- magnesium fluoride anion mgf-  
676 MgF+ magnesium fluoride cation mgf+  
677 CaF Calcium monofluoride caf  
678 MgCl magnesium monochloride mgcl  
679 MgCl- magnesium monochloride anion mgcl-  
680 MgCl+ magnesium monochloride cation mgcl+  
681 CaCl calcium monochloride cacl  
682 TiCl Titanium Monochloride ticl  
683 ZnF Zinc monofluoride znf  
684 ZnF- Zinc monofluoride anion znf-  
685 ZnF+ Zinc monofluoride cation znf+  
686 ZnCl Zinc monochloride zncl  
687 CaBr Calcium monobromide cabr  
688 BeCl- beryllium monochloride anion becl-  
689 BeCl+ beryllium monochloride cation becl+  
690 BF Boron monofluoride bf  
691 BF- Boron monofluoride anion bf-  
692 BF+ Boron monofluoride cation bf+  
693 AlF Aluminum monofluoride alf  
694 AlF- Aluminum monofluoride anion alf-  
695 AlF+ Aluminum monofluoride cation alf+  
696 BCl boron monochloride bcl  
697 BCl- boron monochloride anion bcl-  
698 BCl+ boron monochloride cation bcl+  
699 AlCl Aluminum monochloride alcl  
700 AlCl- aluminum monochloride anion alcl-  
701 AlCl+ aluminum monochloride cation alcl+  
702 ScF Scandium monofluoride scf  
703 BBr Boron monobromide bbr  
704 GaF Gallium monofluoride gaf  
705 GaF+ Gallium monofluoride cation gaf+  
706 AlBr Aluminum monobromide albr  
707 GaCl Gallium monochloride gacl  
708 GaCl+ Gallium monochloride cation gacl+  
709 AlI Aluminum monoiodide ali  
710 GaBr Gallium monobromide gabr  
711 CF Fluoromethylidyne cf  
712 CF- carbon monofluoride anion cf-  
713 CF+ carbon monofluoride cation cf+  
714 CCl carbon monochloride ccl  
715 CCl- carbon monochloride anion ccl-  
716 CCl+ carbon monochloride cation ccl+  
717 SiF silicon monofluoride sif  
718 SiF- silicon monofluoride anion sif-  
719 SiF+ silicon monofluoride cation sif+  
720 SiCl Clorosilylidyne sicl  
721 SiCl- silicon monochloride anion sicl-  
722 SiCl+ silicon monochloride cation sicl+  
723 CBr Carbon monobromide cbr  
724 GeF Germanium monofluoride gef  
725 GeF+ Germanium monofluoride cation gef+  
726 GeCl Germanium monochloride gecl  
727 GeCl+ Germanium monochloride cation gecl+  
728 SiBr Silicon monobromide sibr  
729 SiBr+ Silicon monobromide cation sibr+  
730 NF nitrogen fluoride nf  
731 NF- nitrogen monofluorine anion nf-  
732 NF+ nitrogen monofluoirde cation nf+  
733 NCl nitrogen monochloride ncl  
734 NCl- nitrogen monochloride anion ncl-  
735 NCl+ nitrogen monochloride cation ncl+  
736 PF phosphorus monofluoride pf  
737 PF- phosphorus monofluoride anion pf-  
738 PF+ phosphorus monofluoride cation pf+  
739 PCl phosphorus chloride pcl  
740 PCl- phosphorus monochloride anion pcl-  
741 PCl+ phosphorus monochloride cation pcl+  
742 AsF Arsenic monofluoride asf  
743 NBr nitrogen monobromide nbr  
744 AsCl Arsenic monochloride ascl  
745 PBr Phosphorus monobromide pbr  
746 SbF Antimony monofluoride sbf  
747 SbCl Antimony monochloride sbcl  
748 FO Oxygen monofluoride fo  
749 FO- flourine oxide anion fo-  
750 FO+ fluorine monoxide cation fo+  
751 ClO Monochlorine monoxide clo  
752 ClO- chlorine monoxide anion clo-  
753 ClO+ chlorine monoxide cation clo+  
754 SF Monosulfur monofluoride sf  
755 SF- sulfur monofluoride anion sf-  
756 SF+ sulfur monofluoride cation sf+  
757 SCl sulfur monochloride scl  
758 SCl- sulfur monochloride anion scl-  
759 SCl+ sulfur monochloride cation scl+  
760 BrO Bromine monoxide bro  
761 BrO- Bromine monoxide anion bro-  
762 BrO+ Bromine monoxide cation bro+  
763 SeF Selenium monofluoride sef  
764 SBr Sulfur monobromide radical sbr  
765 SBr+ Sulfur monobromide cation sbr+  
766 SeCl Selenium monochloride secl  
767 IO Iodine monoxide io  
768 SeBr Selenium monobromide sebr  
769 BrCl Bromine monochloride brcl  
770 F2 Fluorine diatomic f2  
771 F2- flourine diatomic anion f2-  
772 F2+ flourine diatomic cation f2+  
773 ClF Chlorine monofluoride clf  
774 ClF- clorine monofluoride anion clf-  
775 ClF+ clorine monofluoride cation clf+  
776 Cl2 Chlorine diatomic cl2  
777 Cl2- chlorine diatomic anion cl2-  
778 Cl2+ chlorine diatomic cation cl2+  
779 BrF Bromine monofluoride brf  
780 BrF- bromine fluoride anion brf-  
781 BrF+ bromine fluoride cation brf+  
782 BrCl- bromine chloride anion brcl-  
783 BrCl+ bromine chloride cation brcl+  
784 IF Iodine monofluoride if  
785 Br2 Bromine diatomic br2  
786 Br2- bromine diatomic anion br2-  
787 Br2+ bromine diatomic cation br2+  
788 ICl Iodine monochloride icl  
789 IBr Iodine monobromide ibr  
790 I2 Iodine diatomic i2  
791 I2+ Iodine diatomic cation i2+  
792 HCF Fluoromethylene hcf  
793 HCCl Chloromethylene hccl  
794 HSiF fluorosilylene hsif  
795 HSiCl Chlorosilylene hsicl  
796 HSiBr monobromosilylene hsibr  
797 CHBr bromomethylene chbr  
798 HOF Hypofluorous acid hfo  
799 DOCl Hypochlorous acid-d docl  
800 HOCl hypochlorous acid hocl  
801 HOCl+ hypochlorous acid cation hocl+  
802 HOBr Hypobromous acid hobr  
803 HOBr+ Hypobromous acid cation hobr+  
804 HOI Hypoiodous acid hoi  
805 F2H+ Fluorine, protonated f2h+  
806 FHF Hydrogen difluoride fhf  
807 FHF- Hydrogen difluoride anion fhf-  
808 ClFH+ Chlorine fluoride, F-protonated clfh+  
809 FClH+ Chlorine fluoride, Cl-protonated fclh+  
810 Cl2H+ Chlorine, protonated cl2h+  
811 CH2Br bromomethyl radical ch2br  
812 CH2F fluoromethyl radical ch2f  
813 CH2F+ fluoromethyl cation ch2f+  
814 CH2Cl+ chloromethyl cation ch2cl+  
815 CH2Cl chloromethyl radical ch2cl  
816 NH2F monofluoroamine nh2f  
817 NH2Cl chloramine nh2cl  
818 H2F2 Hydrogen fluoride dimer h2f2  
819 CH3F+ methyl fluoride cation ch3f+  
820 CD3F methylfluoride-d3 cd3f  
821 CH3F Methyl fluoride ch3f  
822 CD3Cl methyl chloride d3 cd3cl  
823 CH3Cl Methyl chloride ch3cl  
824 CH3Cl+ Methyl chloride cation ch3cl+  
825 SiH3F monofluorosilane sih3f  
826 SiH3Cl chlorosilane sih3cl  
827 CH3Br methyl bromide ch3br  
828 GeH3F monofluorogermane geh3f  
829 GeH3Cl monochlorogermane geh3cl  
830 SiH3Br bromosilane sih3br  
831 CH3I methyl iodide ch3i  
832 SiH3I Silyl Iodide sih3i  
833 NH3Cl+ protonated monochloroammonia nh3cl+  
834 CH3ClH+ methyl chloride, protonated ch3clh+  
835 NH4Cl Ammonium chloride nh4cl  
836 LiNe+ Lithium Neon cation line+  
837 Ne2 Neon diatomic ne2  
838 Ne2+ Neon diatomic cation ne2+  
839 Ar2 Argon diatomic ar2  
840 Ar2+ Argon diatomic cation ar2+  
841 Li3 Lithium trimer li3  
842 Li3+ Lithium trimer cation li3+  
843 C3 carbon trimer c3  
844 C3+ carbon trimer cation c3+  
845 SiC2 Silicon dicarbide sic2  
846 C3H3 cyclopropenyl radical cpr  
847 C3H3 Propargyl radical propargyl  
848 C3H3- Propargyl anion c3h3-  
849 C3H3+ cyclopropenyl cation cpr+  
850 C3H3+ Propargyl cation c3h3+  
851 C3H4 cyclopropene cprop  
852 CH2CCH2 allene allene  
853 CH3CCH propyne propyne  
854 C3H5 Allyl radical allyl  
855 C3H5+ Allyl cation allyl+  
856 CH3CHCH 1-propenyl radical ch3chch  
857 Zn(CH3)2 dimethyl zinc dmz  
858 C3H6 Cyclopropane c3h6  
859 CH2CHCH3 Propene propene  
860 C3H7 n-Propyl radical npropyl  
861 C3H7+ cyclopropane, protonated c3h7+  
862 CH3CHCH3 Isopropyl radical isopropyl  
863 CH3CHCH3+ Isopropyl cation prop2yl+  
864 C3H8 Propane propane  
865 SiH2(CH3)2 dimethylsilane dms  
866 Si3H8 trisilane si3h8  
867 LiCN lithium cyanide licn  
868 NaCN Sodium Cyanide nacn  
869 KCN Potassium cyanide kcn  
870 CuCN Copper cyanide cucn  
871 ZnCN Zinc monocyanide zncn  
872 ZnNC Zinc isocyanide znnc  
873 AlCN Aluminum monocyanide alcn  
874 AlNC Aluminum isocyanide alnc  
875 CN2 3H-Diazirin-3-ylidene cn2  
876 CNN Diazocarbene cnn  
877 NCN Cyanoimidogen ncn  
878 N3 azide radical n3  
879 N3- azide anion n3-  
880 N3+ azide cation n3+  
881 HCCN cyanomethylene hccn  
882 HCNN diazomethyl radical hcnn  
883 HN3 hydrogen azide hn3  
884 HN3+ Hydrazoic acid cation hn3+  
885 HNCNH diiminomethane hncnh  
886 CH2N2 diazirine ch2n2  
887 CH2NN diazomethane ch2nn  
888 NH2CN cyanamide cyanamide  
889 HNNNH+ 1,2-Triazadienium n2h3+  
890 NH2NN+ hydrazoic acid, protonated nh2nn+  
891 CH3CN Acetonitrile ch3cn  
892 CH3CN- acetonitrile anion ch3cn-  
893 CH3CN+ Acetonitrile cation ch3cn+  
894 CH3NC methyl isocyanide ch3nc  
895 CHNCH2 2H-Azirine c157164  
896 CHNHCH 1H-Azirine chnhch  
897 H2CCNH Ethenimine ch2cnh  
898 H2CNCH methyleneaminomethylene ch2nch  
899 HCCNH2 Ethynamine hccnh2  
900 HCNCH2+ 2H-Azirine cation hcnch2+  
901 HNCNH2+ diiminomethane, protonated hncnh2+  
902 NCNH3+ Cyanamide, protonated ncnh3+  
903 NH2CNH+ cyanamide, cn protonated nh2cnh+  
904 NH3CN+ cyanamide, amine protonated nh3cn+  
905 CH2CHNH vinylazine ch2chnh  
906 CH3CHN methylmethaniminyl radical ch3chn  
907 NHCHNH2 aminomethanimine cn2h4  
908 C2H5N Aziridine c2h5n  
909 CH2CHNH2 aminoethene aminoethene  
910 CH2NCH3 N-methylmethanimine nmm  
911 CH3CHNH ethanimine ethanimine  
912 NH2BHNH2 diaminoborane nh2bhnh2  
913 C2H5NH+ Protonated Aziridine c2h5nh+  
914 C2H6N+ aziridine, protonated c2h6n+  
915 NH2CH2NH2 diaminomethane nh2ch2nh2  
916 CH3CH2NH2 Ethylamine etam  
917 CH3NHCH3 Dimethylamine ch3nhch3  
918 CH3PHCH3 dimethylphosphine ch3phch3  
919 NH2CH2NH3+ diaminoethane, protonated pdam  
920 (CH3)2NH2+ dimethylammonium cation dmam  
921 CH3CH2NH3+ ethylamine, protonated pea  
922 Li2O dilithium oxide li2o  
923 Li2O+ dilithium oxide cation li2o+  
924 Li2S dilithium sulfide li2s  
925 Na2O disodium monoxide na2o  
926 Na2S Sodium sulfide na2s  
927 LiO2 Lithium dioxide lio2  
928 NaO2 Sodium superoxide nao2  
929 CCO Dicarbon monoxide cco  
930 CNO- fulminate cno-  
931 NCO isocyanato radical nco  
932 NCO- cyanate nco-  
933 SCN thiocyanato radical scn  
934 SCN- thiocyanide anion scn-  
935 BO2 Boron dioxide bo2  
936 BO2- Boron dioxide anion bo2-  
937 BO2+ Boron dioxide cation bo2+  
938 N2O Nitrous oxide n2o  
939 N2O- Nitrous oxide anion n2o-  
940 N2O+ Nitrous oxide cation n2o+  
941 NNS Nitrogen sulfide nns  
942 PPO Phosphorus oxide phosphide ppo  
943 CO2 Carbon dioxide co2  
944 CO2- Carbon dioxide anion co2-  
945 CO2+ Carbon dioxide cation co2+  
946 OCS Carbonyl sulfide cos  
947 OCS+ Carbonyl sulfide cation cos+  
948 SiO2 silicon dioxide sio2  
949 CS2 Carbon disulfide cs2  
950 CS2- Carbon disulfide anion cs2-  
951 CS2+ Carbon disulfide cation cs2+  
952 TiO2 Titanium dioxide tio2  
953 SiS2 Silicon disulfide sis2  
954 GeO2 Germanium dioxide geo2  
955 OCSe Carbonyl selenide ocse  
956 SCSe Carbon sulfide selenide scse  
957 GeS2 Germanium disulfide ges2  
958 CSe2 Carbon diselenide cse2  
959 SCTe Carbon sulfide Telluride scte  
960 NO2 Nitrogen dioxide no2  
961 NO2- Nitrogen dioxide anion no2-  
962 NO2+ Nitrogen dioxide cation no2+  
963 NSO sulfinyl amidogen NSO  
964 PO2 Phosphorus dioxide po2  
965 PO2- Phosphorus dioxide anion po2-  
966 PO2+ Phosphorus dioxide cation po2+  
967 SNO Nitrogen oxide sulfide sno  
968 AsO2 Aresenic dioxide aso2  
969 O3 Ozone o3  
970 O3- Ozone anion o3-  
971 O3+ Ozone cation o3+  
972 SO2 Sulfur dioxide so2  
973 SO2- Sulfur dioxide anion so2-  
974 SO2+ Sulfur dioxide cation so2+  
975 SSO Disulfur monoxide sso  
976 S3 Sulfur trimer s3  
977 S3- Sulfur trimer anion s3-  
978 S3+ Sulfur trimer cation s3+  
979 SeO2 Selenium dioxide seo2  
980 SeO2+ Selenium dioxide cation seo2+  
981 TeO2 Tellurium Dioxide teo2  
982 HCCO ketenyl radical ketenyl  
983 CS2H+ Carbon disulfide, protonated cs2h+  
984 HCNO fulminic acid hcno  
985 HNCO Isocyanic acid hnco  
986 HOCN cyanic acid hocn  
987 HNCS Isothiocyanic acid hncs  
988 HSCN thiocyanic acid hscn  
989 HCO2- formate anion hco2-  
990 HNNO nitrosoazane hnno  
991 HNNO+ Nitrous oxide, N-protonated hnno+  
992 NNOH+ Nitrous Oxide, O-protonated nnoh+  
993 HCOO formate neutral radical hcoo  
994 HOCO Hydrocarboxyl radical hoco  
995 HOCO+ Hydrocarboxyl cation hoco+  
996 HNO2 Nitrous acid hno2  
997 HNO2+ nitrous acid cation hno2+  
998 O3H+ protonated ozone o3h+  
999 SO2H+ protonated sulfur dioxide so2h+  
1000 C2H2O Oxirene oxirene  
1001 CH2CO Ketene ch2co  
1002 CH2CO+ Ketene cation ch2co+  
1003 HCCOH ethynol hccoh  
1004 CH2CS Thioketene ch2cs  
1005 Be(OH)2 Beryllium hydroxide beo2h2  
1006 Mg(OH)2 Magnesium dihydroxide h2mgo2  
1007 NH2NO Nitrosamide nh2no  
1008 CH2O2 Dioxirane diox  
1009 H2COO Dioxymethyl radical h2coo  
1010 H2COO+ dioxymethyl cation h2coo+  
1011 HCOOH Formic acid ch2o2  
1012 H2O3 Hydrogen trioxide h2o3  
1013 HSSSH trisulfane hsssh  
1014 NaOCH3 Sodium methoxide naoch3  
1015 CH2BOH hydroxy(methylene)borane ch2boh  
1016 BH3CO Borane carbonyl bh3co  
1017 CH3BO Borane, methyloxo- ch3bo  
1018 CH2CHO Vinyloxy radical ch2cho  
1019 CH2COH+ ketene, protonated ch2coh+  
1020 CH3CO Acetyl radical ch3co  
1021 CH3CO- Acetyl anion ch3co-  
1022 CH3CO+ acetyl cation ch3co+  
1023 CH2NOH formaldoxime ch2noh  
1024 CH3NO nitrosomethane ch3no  
1025 CHONH2 formamide formamide  
1026 CNOH3 1,2-oxaziridine cnoh3  
1027 HOCHNH hydroxymethylimine hochnh  
1028 CHSNH2 thioformamide chsnh2  
1029 NHCHSH Methanimidothioic acid nhchsh  
1030 CH2OOH CH2OOH radical ch2ooh  
1031 CH3OO methylperoxy radical ch3oo  
1032 CH3OO- methylperoxy anion ch3oo-  
1033 CH3OO+ methylperoxy cation ch3oo+  
1034 C2H4O Ethylene oxide c2h4o  
1035 C2H4O+ ethylene oxide cation c2h4o+  
1036 CH2CHOH ethenol ch2choh  
1037 CH3CHO Acetaldehyde ch3cho  
1038 CH3CHO+ acetaldehyde cation ch3cho+  
1039 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
1040 C2H4S Thiirane thiirane  
1041 CH2CHSH Ethenethiol ch2chsh  
1042 CH3CHS Thioacetaldehyde ch3chs  
1043 H2CONH2+ protonated formamide h2conh2+  
1044 NH2CHOH+ Formamide, O-protonated nh2choh+  
1045 NH3CHO+ Formamide, N-Protonated nh3cho+  
1046 CH2(OH)2 methanediol ch2o2h2  
1047 CH3OOH Methyl peroxide ch3ooh  
1048 CH3SSH Hydrogen methyl disulfide ch3ssh  
1049 HSCH2SH Methanedithiol ch4s2  
1050 H2OH2CO water formaldehyde dimer h2oh2co  
1051 C2H4OH+ ethylene oxide, protonated c2h4oh+  
1052 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1053 CH3CH2O Ethoxy radical ethoxy  
1054 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1055 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1056 CH3OCH2 methoxymethyl radical ch3och2  
1057 NH2CH2OH aminomethanol nh2ch2oh  
1058 CH3CH2OH Ethanol etoh  
1059 CH3OCH3 Dimethyl ether meome  
1060 CH3CH2SH ethanethiol etsh  
1061 CH3SCH3 Dimethyl sulfide mesme  
1062 CH3SCH3+ dimethyl sulfide cation mesme+  
1063 CH3SeCH3 dimethylselenide dmse  
1064 CH3OHH2O methanol water dimer ch3ohh2o  
1065 H2OCH3OH water methanol dimer h2och3oh  
1066 CuF2 Copper difluoride cuf2  
1067 ZnF2 Zinc difluoride znf2  
1068 CNF iso cyanogen fluoride cnf  
1069 FCN Cyanogen fluoride fcn  
1070 ClCN chlorocyanogen clcn  
1071 BrCN Cyanogen bromide brcn  
1072 ICN Cyanogen iodide icn  
1073 FBO Boron monofluoride monoxide fbo  
1074 BeF2 Beryllium fluoride bef2  
1075 MgF2 Magnesium fluoride mgf2  
1076 BeCl2 Beryllium chloride becl2  
1077 MgCl2 Magnesium dichloride mgcl2  
1078 CaCl2 Calcium Chloride cacl2  
1079 ZnCl2 Zinc dichloride zncl2  
1080 BeBr2 Beryllium bromide bebr2  
1081 CaBr2 Calcium dibromide cabr2  
1082 CaF2 Calcium difluoride caf2  
1083 FCO Carbonyl fluoride fco  
1084 FCO+ Carbonyl fluoride cation fco+  
1085 ClCO carbonyl monochloride clco  
1086 BF2 Boron difluoride radical bf2  
1087 FNO Nitrosyl fluoride fno  
1088 ClNO Nitrosyl chloride clno  
1089 FNS Thionitrosyl fluoride fns  
1090 FSN Thiazyl fluoride fsn  
1091 OPCl Phosphorus oxychloride opcl  
1092 BrNO Nitrosyl bromide brno  
1093 INO Nitrosyl iodide ino  
1094 CF2 Difluoromethylene cf2  
1095 CF2- Difluoromethylene anion cf2-  
1096 CF2+ Difluoromethylene cation cf2+  
1097 CFCl chlorofluoromethylene cfcl  
1098 SiF2 Silicon difluoride sif2  
1099 SiF2+ Silicon difluoride cation sif2+  
1100 CCl2 dichloromethylene ccl2  
1101 CCl2- dichloromethylene anion ccl2-  
1102 CCl2+ dichloromethylene cation ccl2+  
1103 SiCl2 Dichlorosilylene sicl2  
1104 GeF2 Germanium difluoride gef2  
1105 GeCl2 Germanium dichloride gecl2  
1106 CBr2 dibromomethylene cbr2  
1107 FOO Dioxygen monofluoride radical foo  
1108 FOO+ Fluorine dioxide cation foo+  
1109 ClOO chloroperoxy radical cloo  
1110 ClOO+ chloroperoxy cation cloo+  
1111 OClO Chlorine dioxide oclo  
1112 OClO- Chlorine dioxide anion oclo-  
1113 OClO+ Chlorine dioxide cation oclo+  
1114 ClSO Sulfur chloride oxide clso  
1115 ClS2 Sulfur chloride cls2  
1116 BrOO Bromine dioxide broo  
1117 OBrO Bromine dioxide radical obro  
1118 NF2 Difluoroamino radical nf2  
1119 NF2+ Difluoroamino cation nf2+  
1120 PF2 Phosphorus difluoride pf2  
1121 PF2+ Phosphorus difluoride cation pf2+  
1122 FClO chlorosyl fluoride fclo  
1123 F2O Difluorine monoxide f2o  
1124 ClOF Chlorine hypofluorite clof  
1125 SF2 sulfur difluoride sf2  
1126 SF2- sulfur difluoride anion sf2-  
1127 SF2+ sulfur difluoride cation sf2+  
1128 Cl2O Dichlorine monoxide cl2o  
1129 SCl2 Sulfur dichloride scl2  
1130 SeF2 Selenium difluoride sef2  
1131 BrOCl Bromine hypochlorite brocl  
1132 SeCl2 Selenium Dichloride secl2  
1133 SBr2 Sulfur dibromide sbr2  
1134 SeBr2 Selenium dibromide sebr2  
1135 BrOBr Bromine oxide brobr  
1136 F3- trifluoride anion f3-  
1137 Cl3- trichloride anion cl3-  
1138 Br3- tribromide anion br3-  
1139 I3- triiodide i3-  
1140 SFCl Sulfur chloride fluoride sfcl  
1141 HCCF Fluoroacetylene hccf  
1142 HCCF+ fluoroacetylene cation hccf+  
1143 HCCCl Chloroacetylene hcccl  
1144 HCCBr bromoacetylene hccbr  
1145 HFCO formyl fluoride hfco  
1146 HFCO+ formyl fluoride cation hfco+  
1147 COHCl Formyl chloride cohcl  
1148 COHBr Formyl bromide cohbr  
1149 BHF2 Difluoroborane bhf2  
1150 BHCl2 Borane, dichloro- bhcl2  
1151 CHCl2 dichloromethyl radical chcl2  
1152 CHF2 difluoromethyl radical chf2  
1153 CHF2+ difluoromethyl cation chf2+  
1154 CHFCl Chlorofluoromethyl radical chfcl  
1155 CHFCl+ Chlorofluoromethyl cation chfcl+  
1156 CHCl2+ dichloromethyl cation chcl2+  
1157 CHBr2 dibromomethyl radical chbr2  
1158 HOClO Chlorous acid hoclo  
1159 NHF2 difluoramine nhf2  
1160 NHCl2 dichloroamine nhcl2  
1161 CH2F2 Methane, difluoro- ch2f2  
1162 CH2FCl fluorochloromethane ch2fcl  
1163 SiH2F2 difluorosilane sih2f2  
1164 CH2Cl2 Methylene chloride ch2cl2  
1165 CH2BrF Methane, bromofluoro- ch2fbr  
1166 CH2BrCl Methane, bromochloro- ch2clbr  
1167 CH2FI fluoroiodomethane ch2fi  
1168 CH2Br2 dibromomethane ch2br2  
1169 CH2ClI chloroiodomethane ch2cli  
1170 CH2BrI bromoiodomethane ch2bri  
1171 CH2I2 Diiodomethane ch2i2  
1172 SiH2Cl2 dichlorosilane sih2cl2  
1173 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1174 CH2CHF Ethene, fluoro- ch2chf  
1175 CH2CHF+ fluoroethene cation ch2chf+  
1176 C2H3Cl Ethene, chloro- ch2chcl  
1177 C2H3Br vinyl bromide c2h3br  
1178 C2H3I Vinyl iodide c2h3i  
1179 CH2FOH fluoromethanol ch2foh  
1180 CH3OCl methyl hypochlorite ch3ocl  
1181 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1182 CHClCH3 1-chloroethyl radical chclch3  
1183 C2H5F fluoroethane c2h5f  
1184 CH3CH2Cl Ethyl chloride c2h5cl  
1185 CH3SiFH2 fluoromethylsilane ch3sifh2  
1186 C2H5Br Ethyl bromide etbr  
1187 C2H5I Ethyl iodide c2h5i  
1188 KrF2 Krypton difluoride krf2  
1189 XeF2 Xenon difluoride xef2  
1190 B4H10 Tetraborane(10) b4h10  
1191 C4 Carbon tetramer c4  
1192 C4+ Carbon tetramer cation c4+  
1193 C4H2 Diacetylene c4h2  
1194 C4H2+ diacetlyene cation c4h2+  
1195 C2H3CCH 1-Buten-3-yne c2h3cch  
1196 C4H4 cyclobutadiene cbd  
1197 C4H4 Tetrahedrane c4h4  
1198 H2CCCCH2 Butatriene h2cccch2  
1199 C4H6 1-Methylcyclopropene c3100047  
1200 C4H6 Cyclobutene c822355  
1201 C4H6 Methylenecyclopropane c6142730  
1202 CH2CCHCH3 1,2-Butadiene butad12  
1203 CH2CHCHCH2 1,3-Butadiene c106990  
1204 CH3CCCH3 2-Butyne c503173  
1205 CHCCH2CH3 1-Butyne c107006  
1206 CH3CHCHCH2 methylallyl radical c4h7  
1207 C4H8 methylcyclopropane mcp  
1208 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1209 CH2CHCH2CH3 1-Butene bute1  
1210 CH3CHCHCH3 2-Butene, (E)- bute2e  
1211 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1212 B(CH3)3 trimethylborane bme3  
1213 Al(CH3)3 trimethyl aluminum tma  
1214 C(CH3)3 Tert-butyl radical tbutyl  
1215 CH2CH(CH3)2 Isobutyl radical isobutyl  
1216 CH3CHCH2CH3 2-Butyl radical butyl2  
1217 CH3CH(CH3)CH3 Isobutane isobutane  
1218 CH3CH2CH2CH3 Butane butane  
1219 SiH(CH3)3 trimethylsilane trimsi  
1220 Li3N trilithium nitride li3n  
1221 C2N2 Cyanogen c2n2  
1222 C2N2+ Cyanogen cation c2n2+  
1223 P4 Phosphorus tetramer p4  
1224 As4 Arsenic tetramer as4  
1225 HCCCN Cyanoacetylene hcccn  
1226 HCCCN+ Cyanoacetylene cation hcccn+  
1227 H2CNCN cyanamide, methylene ch2ncn  
1228 HNCCNH Ethenediimine hnccnh  
1229 C3H3N acrylonitrile ch2chcn  
1230 C3H3N+ acrylonitrile cation ch2chcn+  
1231 CH3N3 methyl azide ch3n3  
1232 NH2CCNH2 Diaminoacetylene daa  
1233 NH2CH2CN Aminoacetonitrile aan  
1234 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1235 C2H5CN ethyl cyanide c2h5cn  
1236 CH5N3 Guanidine guanidine  
1237 C4H6 Bicyclo[1.1.0]butane c157335  
1238 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1239 H2NCHCHNH2 diaminoethylene dae  
1240 CH6N3+ guanidinium ch6n3+  
1241 C3H7N Cyclopropylamine cpram  
1242 CH7N3 triaminomethane tam  
1243 C3H7N Azetidine azet  
1244 C4H8 cyclobutane cbutane  
1245 C2H8N2 Ethylenediamine ethdiam  
1246 CH3NHNHCH3 dimethyl hydrazine dmh  
1247 CH3CH(NH2)CH3 2-Propanamine pram2  
1248 N(CH3)3 Trimethylamine trimeam  
1249 NH2CH2CH2CH3 1-Propanamine pram1  
1250 P(CH3)3 trimethylphosphine tmp  
1251 N(SiH3)3 trisilylamine tsa  
1252 As(CH3)3 trimethyl arsine tmas  
1253 (CH3)3NH+ protonated trimethyl amine ptma  
1254 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1255 Li2O2 dilithium dioxide li2o2  
1256 Na2O2 disodium dioxide na2o2  
1257 K2O2 dipotassium dioxide k2o2  
1258 C3O Tricarbon monoxide c3o  
1259 B2O2 Diboron dioxide b2o2  
1260 ONNO NO dimer onno  
1261 S2N2 Disulfur dinitride s2n2  
1262 CO3 Carbon trioxide co3  
1263 CO3-- carbonate co3--  
1264 CS3-- Carbonotrithioate cs3--  
1265 NO3 Nitrogen trioxide no3  
1266 NO3- nitrate anion no3-  
1267 NO3+ nitrogen trioxide cation no3+  
1268 SO3 Sulfur trioxide so3  
1269 SO3- Sulfur trioxide anion so3-  
1270 SO3-- Sulfate dianion so3--  
1271 SO3+ Sulfur trioxide cation so3+  
1272 SeO3 selenium trioxide seo3  
1273 S4 Sulfur tetramer s4  
1274 TeO3 Tellurium trioxide teo3  
1275 HCO3- bicarbonate anion hco3-  
1276 HNO3 Nitric acid hno3  
1277 HSO3 Hydroxysulfonyl radical hso3  
1278 NH2NO2 nitramide nh2no2  
1279 C2H2CO cyclopropenone c2h2co  
1280 C3H2O Propadienal c3h2o  
1281 HCCCHO 2-propynal hcccho  
1282 C2H2O2 Ethanedial c2h2o2  
1283 C2H2O2+ Ethanedial cation c2h2o2+  
1284 H2CO3 Carbonic acid h2co3  
1285 H2CS3 thiocarbonic acid h2cs3  
1286 H2NO3+ Nitric Acid, Protonated h2no3+  
1287 H2SO3 Sulfurous acid h2so3  
1288 C2H3NO Nitrosoethylene c2h3no  
1289 CH3NCO methylisocyante ch3nco  
1290 HOCH2CN cyanomethanol hoch2cn  
1291 CH3COO- acetate anion ch3coo-  
1292 CH3NO2 Methane, nitro- ch3no2  
1293 CH3ONO Methyl nitrite ch3ono  
1294 NH2COOH Carbamic acid nh2cooh  
1295 H3BO3 Boric acid h3bo3  
1296 H3AlO3 Aluminum hydroxide h3alo3  
1297 H3CO3+ carbonic acid, protonated h3co3+  
1298 C3H4O 2-Propyn-1-ol c107197  
1299 C3H4O allenol c9000071  
1300 C3H4O Cyclopropanone cpone  
1301 C3H4O Methylketene c6004440  
1302 CH2CHCHO Acrolein c3h4o  
1303 NH2CONH2 Urea urea  
1304 NH2CONH2+ Urea cation urea+  
1305 NH2CSNH2 Thiourea thiourea  
1306 C2H4O2 1,3-dioxetane c2h4o2  
1307 CH3COOH Acetic acid ch3cooh  
1308 CH3OCHO methyl formate ch3ocho  
1309 CHOCH2OH hydroxy acetaldehyde haa  
1310 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1311 NH3COOH+ protonated Carbamic acid nh3cooh+  
1312 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1313 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1314 HCOOHH2O Formic acid water dimer hcoohh2o  
1315 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1316 CH3COCH2 Acetonyl radical ch3coch2  
1317 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1318 CH3C(OH)=NH Ethaninidic acid eia  
1319 CH3CHNOH Acetaldoxime acetaldoxime  
1320 CH3CONH2 Acetamide acetamide  
1321 HCONHCH3 N-methylformamide nmfa  
1322 CH3CSNH2 Ethanethioamide ch3csnh2  
1323 CH5N2O+ urea, N-protonated ch4n2o+  
1324 H2NCOHNH2+ urea, protonated ureah+  
1325 C2H5OO ethylperoxy radical c2h5oo  
1326 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1327 C3H5OH Cyclopropanol cproh  
1328 C3H6O 2-Propen-1-ol c107186  
1329 C3H6O Acetone enol enol  
1330 C3H6O Oxetane oxetane  
1331 C3H6O Propylene oxide prox  
1332 CH3CH2CHO Propanal propanal  
1333 CH3COCH3 Acetone acetone  
1334 CH3COCH3- acetone anion ch3coch3-  
1335 C3H6S Thietane thietane  
1336 C3H6S Thiirane, methyl- methiirane  
1337 CH3CSCH3 Thioacetone ch3csch3  
1338 C2H6O2 1,2-Ethanediol ethdiol  
1339 CH3OOCH3 dimethylperoxide dmp  
1340 CH3SOCH3 Dimethyl sulfoxide dmso  
1341 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1342 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1343 CH3COHCH3+ acetone, protonated acetoneh+  
1344 HOCH2CH2NH2 monoethanolamine mea  
1345 C3H7OH 1-Propanol proh  
1346 CH3CHOHCH3 Isopropyl alcohol isoproh  
1347 CH3OC2H5 Ethane, methoxy- etome  
1348 C3H7SH 1-Propanethiol prsh  
1349 CH3CHSHCH3 2-Propanethiol isoprsh  
1350 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1351 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1352 Li2F2 Lithium fluoride dimer li2f2  
1353 Na2F2 Sodium Fluoride Dimer na2f2  
1354 Na2Cl2 Disodium dichloride na2cl2  
1355 C2F2 difluoroacetylene c2f2  
1356 C2Cl2 dichloroacetylene c2cl2  
1357 C2Cl2+ dichloroacetylene cation c2cl2+  
1358 FNO2 Nitryl fluoride fno2  
1359 FONO Nitrosyl hypofluorite fono  
1360 ClNO2 Nitryl chloride clno2  
1361 ClONO chlorine nitrite clono  
1362 BrONO Bromine nitrite brono  
1363 N2F2 (Z)-Difluorodiazene n2f2_z  
1364 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1365 CF2O Carbonic difluoride f2co  
1366 CF2O+ Carbonic difluoride cation f2co+  
1367 COFCl Carbonic chloride fluoride cofcl  
1368 CCl2O Phosgene cl2co  
1369 Cl2CS Thiophosgene cl2cs  
1370 COBr2 Carbonic dibromide cobr2  
1371 BF3 Borane, trifluoro- bf3  
1372 BF3- Borane, trifluoro- anion bf3-  
1373 BF3+ boron trifluoride cation bf3+  
1374 AlF3 Aluminum trifluoride alf3  
1375 BClF2 Chlorodifluoroborane bclf2  
1376 AlF2Cl Aluminum chloride difluoride alclf2  
1377 ScF3 Scandium trifluoride ScF3  
1378 AlFCl2 Aluminum dichloride fluoride alcl2f  
1379 BCl3 Borane, trichloro- bcl3  
1380 BCl3+ Boron Trichloride cation bcl3+  
1381 GaF3 Gallium trifluoride gaf3  
1382 AlCl3 Aluminum trichloride alcl3  
1383 GaCl3 Gallium trichloride gacl3  
1384 BBr3 Boron tribromide bbr3  
1385 AlBr3 Aluminum Bromide albr3  
1386 ClO3 Chlorine trioxide clo3  
1387 ClO3- chlorate anion clo3-  
1388 BrO3- Bromate anion bro3-  
1389 CF3 Trifluoromethyl radical cf3  
1390 CF3- Trifluoromethyl anion cf3-  
1391 CF3+ Trifluoromethyl cation cf3+  
1392 CF2Cl difluorochloromethyl radical cf2cl  
1393 SiF3 Silicon trifluoride radical sif3  
1394 SiF3+ Silicon trifluoride cation sif3+  
1395 CFCl2 dichlorofluoromethyl radical cfcl2  
1396 CCl3 Trichloromethyl radical ccl3  
1397 CCl3- Trichloromethyl anion ccl3-  
1398 CCl3+ Trichloromethyl cation ccl3+  
1399 SiCl3 trichlorosilyl radical sicl3  
1400 SiCl3+ trichlorosilyl cation sicl3+  
1401 CBr3 tribromomethyl radical cbr3  
1402 FOOF Perfluoroperoxide foof  
1403 ClO2F Chloryl fluoride clo2f  
1404 F2SO Thionyl Fluoride f2so  
1405 ClOOCl Dichlorine dioxide cloocl  
1406 FSSF Difluorodisulfane fssf  
1407 S2F2 Thio-thionyl fluoride s2f2  
1408 SOCl2 thionyl chloride socl2  
1409 SSCl2 Thiothionyl chloride sscl2  
1410 SeOCl2 selenium oxychloride seocl2  
1411 NF3 Nitrogen trifluoride nf3  
1412 NF3- Nitrogen trifluoride anion nf3-  
1413 NF3+ Nitrogen trifluoride cation nf3+  
1414 PF3 Phosphorus trifluoride pf3  
1415 NCl3 nitrogen trichloride ncl3  
1416 AsF3 Arsenic trifluoride asf3  
1417 PCl3 Phosphorus trichloride pcl3  
1418 SbF3 Antimony Trifluoride sbf3  
1419 AsCl3 Arsenous trichloride ascl3  
1420 SbCl3 Antimony Trichloride sbcl3  
1421 NBr3 Nitrogen Tribromide nbr3  
1422 PBr3 Phosphorus tribromide pbr3  
1423 AsBr3 Arsenic tribromide asbr3  
1424 NI3 Nitrogen triiodide ni3  
1425 PI3 Phosphorus triiodide pi3  
1426 ClSSCl Disulfur dichloride s2cl2  
1427 SF3 Sulfur trifluoride sf3  
1428 ClF3 Chlorine trifluoride clf3  
1429 BrF3 Bromine trifluoride brf3  
1430 IF3 iodone trifluoride if3  
1431 HClO3 Chloric Acid hclo3  
1432 CHF3 Methane, trifluoro- chf3  
1433 CHF2Cl difluorochloromethane chf2cl  
1434 SiHF3 trifluorosilane sihf3  
1435 CHFCl2 fluorodichloromethane chfcl2  
1436 CDCl3 trichloromethane-d cdcl3  
1437 CHCl3 Chloroform chcl3  
1438 CHBrF2 Methane, bromodifluoro- chbrf2  
1439 SiHCl3 Trichlorosilane sihcl3  
1440 CHFClBr fluorochlorobromomethane chfclbr  
1441 CHBrCl2 Methane, bromodichloro- chbrcl2  
1442 CHF2I difluoroiodomethane chf2i  
1443 CHBr2F dibromofluoromethane chbr2f  
1444 CHFClI fluorochloroiodomethane chfcli  
1445 CHCl2I dichloroiodomethane chcl2i  
1446 CHClBr2 Methane, dibromochloro- chclbr2  
1447 CHBr3 bromoform chbr3  
1448 CHI3 Iodoform chi3  
1449 NF3H+ protonated nitrogen trifluoride nf3h+  
1450 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1451 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1452 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1453 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1454 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1455 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1456 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1457 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1458 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1459 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1460 C2H2Br2 1,1-dibromoethene c2h2br2  
1461 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1462 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1463 CH2FCHO Fluoroacetaldehyde ch2fcho  
1464 CH3COF Acetyl fluoride ch3cof  
1465 CH2ClCHO chloroacetaldehyde ch2clcho  
1466 CH3COCl Acetyl Chloride ch3cocl  
1467 C2H4F2 1,2-difluoroethane c2h4f2  
1468 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1469 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1470 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1471 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1472 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1473 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1474 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1475 CH2CFCH3 2-fluoropropene 2fpro  
1476 CH2CHCH2F Allyl Fluoride allylf  
1477 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1478 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1479 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1480 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1481 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1482 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1483 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1484 CH2FCH2CH3 1-Fluoropropane prf1  
1485 CH3CHFCH3 2-Fluoropropane prf2  
1486 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1487 CH3CHClCH3 Propane, 2-chloro- prcl2  
1488 CH3CH2CH2Br n-propyl bromide prbr  
1489 CH3CHBrCH3 i-propyl bromide iprbr  
1490 C3H9O+ trimethyl oxonium cation c3h9o+  
1491 B5H9 pentaborane9 b5h9  
1492 C5H4 pentatetraene ptrene  
1493 C5H5 cyclopentadienyl radical c5h5  
1494 C5H5- cylopentadienyl anion c5h5-  
1495 C5H6 1,3-Cyclopentadiene c542927  
1496 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1497 C5H6 3-Penten-1-yne, (E)- c2004695  
1498 C5H6 3-Penten-1-yne, (Z)- c1574409  
1499 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1500 C5H6 Cyclopropylacetylene c6746947  
1501 C5H6 Propellane propellane  
1502 C5H7 1,3-pentadienyl radical pdyl  
1503 C5H7 cyclopentenyl radical cpyl  
1504 C5H8 1,2-Butadiene, 3-methyl- c598254  
1505 C5H8 1,2-Pentadiene c591957  
1506 C5H8 1,3-Butadiene, 2-methyl- c78795  
1507 C5H8 1,3-Pentadiene, (E)- c2004708  
1508 C5H8 1,3-Pentadiene, (Z)- c1574410  
1509 C5H8 1,4-Pentadiene c591935  
1510 C5H8 1-pentyne a1pentyne  
1511 C5H8 2,3-Pentadiene c591968  
1512 C5H8 Bicyclo[1.1.1]pentane bcp  
1513 C5H8 Cyclobutane, methylene- c1120565  
1514 C5H8 Cyclopentene c142290  
1515 C5H8 Ethenylcyclopropane c693867  
1516 CH3CCCH2CH3 2-Pentyne 2pentyne  
1517 C5H10 1-Butene, 2-methyl- c563462  
1518 C5H10 2-Butene, 2-methyl- c513359  
1519 C5H10 2-Pentene, (E)- c646048  
1520 C5H10 2-Pentene, (Z)- c627203  
1521 C5H10 Cyclopentane c287923  
1522 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1523 CH2CHCH2CH2CH3 1-pentene pentene  
1524 C5H11 2-Methylbut-2-yl radical c4348350  
1525 C5H12 Butane, 2-methyl- buta2  
1526 C5H12 Pentane pentane  
1527 C5H12 Propane, 2,2-dimethyl- neopentane  
1528 Si(CH3)4 tetramethylsilane tms  
1529 N2O3 Dinitrogen trioxide n2o3  
1530 C3H2N2 Malononitrile c3h2n2  
1531 CH2N4 1H-Tetrazole 1htz  
1532 C3H3N2 imidazolyl radical im  
1533 C3H3N2- imidizolyl anion im-  
1534 C2H3N3 1H-1,2,4-Triazole c288880  
1535 C4H4N pyrrolide radical c4h4n  
1536 C4H4N- pyrrolide anion c4h4n-  
1537 C3H4N2 1H-Imidazole 1himidaz  
1538 C3H4N2 1H-Pyrazole 1hpyraz  
1539 C3H4N2 2H-Imidazole imid2h  
1540 C3H4N2 4H-Imidazole imid4h  
1541 C4H5N (E)-2-Butenenitrile c627269  
1542 C4H5N (Z)-2-Butenenitrile c1190767  
1543 C4H5N 2H-pyrrole pyrrole2  
1544 C4H5N 3H-pyrrole pyrrole3  
1545 C4H5N Cyclopropanecarbonitrile c5500210  
1546 C4H5N Pyrrole pyrrole  
1547 CH2CHCH2CN Allylcyanide ch2chch2cn  
1548 C4H6N+ pyrrole, alpha-protonated appyr  
1549 C4H6N+ pyrrole, beta-protonated bppyr  
1550 C4H6N+ pyrrole, protonated ppyr  
1551 C3H6N2 3-Aminopropionitrile c151188  
1552 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1553 CH3CH2CH2CN Butanenitrile c109740  
1554 C5H8 Bicyclo[2.1.0]pentane c185944  
1555 C5H8 Spiropentane c157404  
1556 C4H9N Cyclobutylamine cbam  
1557 C4H9N Pyrrolidine pyrrolidine  
1558 C3H10N2 1,2-Diaminopropane diampr12  
1559 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1560 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1561 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1562 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1563 NH(C2H5)2 diethylamine dea  
1564 NC4H12+ tetramethyl ammonium cation nc4h12+  
1565 C3O2 Carbon suboxide c3o2  
1566 C3O2+ Carbon suboxide cation c3o2+  
1567 B2O3 diboron trioxide b2o3  
1568 MgCO3 Magnesium Carbonate mgco3  
1569 BeCO3 Beryllium Carbonate beco3  
1570 CaCO3 Calcium Carbonate caco3  
1571 ONONO Nitrosyl nitrite onono  
1572 PO4--- phosphate po4---  
1573 SO4-- sulfate so4--  
1574 HOONO2 peroxy nitric acid hoono2  
1575 HSO4- bisulfate anion hso4-  
1576 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1577 C3H2O2 Propiolic acid c3h2o2  
1578 CHOCOOH oxo acetic acid oaa  
1579 CHOOCHO diformyl ether choocho  
1580 H2SO4 Sulfuric acid h2so4  
1581 H2SeO4 Selenic acid h2seo4  
1582 C3H3NO Isoxazole isox  
1583 C3H3NO Oxazole oxazole  
1584 C3H3NS Thiazole thiazole  
1585 CH3C(O)OO acetyl peroxy radical ch3coo2  
1586 CH3NO3 Methyl nitrate ch3no3  
1587 H3PO4 Phosphoric Acid h3po4  
1588 C4H4O Furan furan  
1589 C4H4O+ Furan cation furan+  
1590 CH3COCCH 3-butyn-2-one c1423605  
1591 C4H4S Thiophene furans  
1592 C4H4Se selenophene c4h4se  
1593 C3H4O2 β–Propiolactone beta  
1594 C3H4O2 2-Propenoic acid propenoic2  
1595 C3H4O2 Methyl glyoxal megly  
1596 C3H4O2 propanedial propanedial  
1597 C3H4O2 propenalol propenalol  
1598 HOCHCCHOH allenediol aldiol  
1599 C2H4O3 1,2,3-trioxolane c2h4o3  
1600 C2H4O3 trioxolane124 triox  
1601 HOCH2COOH Hydroxyacetic acid hac  
1602 CH2CHCONH2 Acrylamide c79061  
1603 CH3OCH2CN Methoxyacetonitrile c1738369  
1604 CH5N3S Hydrazinecarbothioamide c79196  
1605 H2NCH2COOH Glycine glycine  
1606 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1607 C4H6O cis-2-butenal butenal2c  
1608 C4H6O Cyclobutanone cbutone  
1609 C4H6O Furan, 2,3-dihydro- furan23h  
1610 C4H6O Furan, 2,5-dihydro- furan25h  
1611 CH2CHOCHCH2 Vinyl ether vinylether  
1612 CHOCHCHCH3 2-Butenal butenal2  
1613 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1614 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1615 CH2CHSCHCH2 Divinyl sulfide divis  
1616 C2H6N2O Urea, methyl- c598505  
1617 C3H6O2 1,3-Dioxolane dioxolane  
1618 CH3CH2COOH Propanoic Acid propanoic  
1619 CH3COOCH3 methyl acetate aame  
1620 HCOOC2H5 Ethyl formate faee  
1621 C2H6O2S Dimethyl sulfone c67710  
1622 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1623 C3H7NO dimethylformamide dmf  
1624 C3H7NO Propanamide propanam  
1625 C2H3OC2H5 Ethene, ethoxy- c109922  
1626 C4H8O Cyclobutanol c2919235  
1627 C4H8O Furan, tetrahydro- thf  
1628 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1629 CH3COCH2CH3 2-Butanone buta2one  
1630 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1631 CHOCH2CH2CH3 Butanal butanal  
1632 C4H8S Thiophene, tetrahydro- tht  
1633 C3H8O2 1,3-Propanediol c504632  
1634 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1635 C3H8O2 Methane, dimethoxy- c109875  
1636 C3H8O2 Propylene glycol c57556  
1637 C3H8S2 1,3-Propanedithiol c109808  
1638 C4H10O 1-Butanol butanol1  
1639 C4H10O 1-Propanol, 2-methyl- c78831  
1640 C4H10O 2-Butanol, (.+/-.)- butanol2  
1641 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1642 C4H10O Ethoxy ethane etoet  
1643 C4H10O Methyl propyl ether meopr  
1644 C4H10O Propane, 2-methoxy- c598538  
1645 C4H10O+ 1-Butanol cation butanol1+  
1646 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1647 C2H5SC2H5 Diethyl sulfide etset  
1648 C4H9SH 1-Butanethiol bush  
1649 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1650 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1651 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1652 FNO3 Fluorine nitrate fno3  
1653 ClONO2 Chlorine nitrate clono2  
1654 BrONO2 Bromine nitrate brono2  
1655 TiCl4 Titanium tetrachloride ticl4  
1656 ClO4- perchlorate anion clo4-  
1657 BF4- tetrafluoroboron anion bf4-  
1658 ClFO3 Perchloryl fluoride clfo3  
1659 SO2F2 Sulfuryl fluoride so2f2  
1660 SO2Cl2 Sulfuryl chloride so2cl2  
1661 F3NO Nitrogen trifluoride oxide f3no  
1662 F3PO Phosphoryl fluoride pf3o  
1663 Cl3PO Phosphoryl chloride pcl3o  
1664 CF4 Carbon tetrafluoride cf4  
1665 CF3Cl Methane, chlorotrifluoro- cf3cl  
1666 SiF4 Silicon tetrafluoride sif4  
1667 CF2Cl2 difluorodichloromethane cf2cl2  
1668 TiF4 Titanium tetrafluoride tif4  
1669 CFCl3 Trichloromonofluoromethane cfcl3  
1670 CF3Br Bromotrifluoromethane cf3br  
1671 GeF4 Germanium tetrafluoride gef4  
1672 CCl4 Carbon tetrachloride ccl4  
1673 CCl4+ Carbon tetrachloride cation ccl4+  
1674 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1675 SiCl4 Silane, tetrachloro- sicl4  
1676 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1677 CF3I trifluoroiodomethane cf3i  
1678 CBrCl3 Methane, bromotrichloro- cbrcl3  
1679 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1680 GeCl4 Germanium Tetrachloride gecl4  
1681 CBr2ClF dibromochlorofluoromethane cbr2clf  
1682 CBr2Cl2 dibromodichloromethane cbr2cl2  
1683 CCl3I trichloroiodomethane ccl3i  
1684 CFBr3 fluorotribromomethane cfbr3  
1685 CFClBrI fluorochlorobromoiodomethane cfclbri  
1686 CBr3Cl tribromochloromethane cbr3cl  
1687 CF2I2 difluorodiiodomethane cf2i2  
1688 CBr4 Carbon tetrabromide cbr4  
1689 CCl2I2 dichlorodiiodomethane ccl2i2  
1690 SiBr4 Silicon tetrabromide sibr4  
1691 CBr3I tribromoiododmethane cbr3i  
1692 GeBr4 Germanium tetrabromide gebr4  
1693 CI4 tetraiodomethane ci4  
1694 SiI4 silicon tetraiodide sii4  
1695 ClOF3 Chlorine trifluoride oxide clof3  
1696 SF4 Sulfur tetrafluoride sf4  
1697 SeF4 Selenium tetrafluoride sef4  
1698 SCl4 Sulfur tetrachloride scl4  
1699 C2HF3 Trifluoroethylene c2hf3  
1700 C2HF3+ Trifluoroethylene cation c2hf3+  
1701 CHClCCl2 Trichloroethylene chclccl2  
1702 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1703 HClO4 perchloric acid hclo4  
1704 HSO3F Fluorosulfonic acid hso3f  
1705 CF3OH trifluoromethanol cf3oh  
1706 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1707 CHClCCHCl 1,3-dichloroallene chclcchcl  
1708 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1709 CHCl2CHO dichloroacetaldehyde chcl2cho  
1710 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1711 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1712 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1713 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1714 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1715 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1716 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1717 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1718 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1719 NH3BCl3 Amminetrichloroboron nh3bcl3  
1720 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1721 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1722 C3H5ClO Oxirane, (chloromethyl)- c106898  
1723 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1724 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1725 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1726 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1727 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1728 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1729 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1730 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1731 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1732 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1733 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1734 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1735 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1736 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1737 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1738 C4H9F 1-fluorobutane butaf1  
1739 CH3CHFCH2CH3 2-fluorobutane butaf2  
1740 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1741 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1742 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1743 XeF4 Xenon tetrafluoride xef4  
1744 C2H2N2O Furazan furazan  
1745 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1746 NH3BF3 Amminetrifluoroboron nh3bf3  
1747 C6H2 hexatriyne c6h2  
1748 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1749 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1750 C6H4 Benzyne benzyne  
1751 C6H5 phenyl phenyl  
1752 C6H5- phenyl anion phenyl-  
1753 C6H6 Prismane prismane  
1754 C6H6 1,2,4,5-Hexatetraene ht1245  
1755 C6H6 2,4-Hexadiyne hexadiyne  
1756 C6H6 3,4-Dimethylenecyclobutene cb34m  
1757 C6H6 Benzene benzene  
1758 C6H6 Benzvalene bv  
1759 C6H6 Dewar Benzene dewar  
1760 C6H6 Hexa-1,5-diene-3-yne hdy153  
1761 C6H6 Trimethylenecycopropane tmcp  
1762 C6H6+ Benzene cation c6h6+  
1763 C6H7+ benzene, protonated c6h7+  
1764 C6H8 (E)-hexa-1,3,5-triene c821078  
1765 C6H8 (E)-hexa-2,3,4-triene c59660650  
1766 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1767 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1768 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1769 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1770 C6H8 3-Methylenecyclopentene c930267  
1771 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1772 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1773 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1774 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1775 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1776 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1777 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1778 C6H10 1,5-Hexadiene c592427  
1779 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1780 C6H10 1-Hexyne hexyne1  
1781 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1782 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1783 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1784 C6H10 2-Hexyne c764352  
1785 C6H10 3-Hexyne hexyne3  
1786 C6H10 cyclohexene cyclohexene  
1787 C6H10 Cyclopentene, 1-methyl- c693890  
1788 C6H10 Cyclopentene, 3-methyl- c1120623  
1789 C6H10 Cyclopentene, 4-methyl- c1759815  
1790 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1791 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1792 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1793 C6H12 (E)-2-Hexene e2hexene  
1794 C6H12 (E)-3-methylpent-2-ene c616126  
1795 C6H12 (E)-hex-3-ene e3hexene  
1796 C6H12 (Z)-3-methylpent-2-ene c922623  
1797 C6H12 (Z)-hex-2-ene z2hexene  
1798 C6H12 (Z)-hex-3-ene z3hexene  
1799 C6H12 2,3-dimethylbut-1-ene c563780  
1800 C6H12 2,3-dimethyl-but-2-ene tmeet  
1801 C6H12 3-methylenepentane c760214  
1802 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1803 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1804 C6H12 Cyclohexane cyclohexane  
1805 C6H12 Cyclopentane, methyl- c96377  
1806 C6H12 Ethylcyclobutane c4806615  
1807 C6H12 hex-1-ene hexene1  
1808 C6H14 Butane, 2,2-dimethyl- buta22  
1809 C6H14 Butane, 2,3-dimethyl- buta23  
1810 C6H14 Hexane hexane  
1811 C6H14 Pentane, 2-methyl- penta2  
1812 C6H14 Pentane, 3-methyl- penta3  
1813 C4N2 2-Butynedinitrile c4n2  
1814 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1815 C4H2N2 Fumaronitrile c4h2n2  
1816 C2H2N4 sym-tetrazine ttz  
1817 C3H3N3 1,3,5-Triazine triazine135  
1818 CH3N5 5-Aminotetrazole c4418615  
1819 C4H4N2 1,3-Diazine diazine13  
1820 C4H4N2 Pyrazine pyrazine  
1821 C4H4N2 Pyridazine pyridazine  
1822 C4H4N2 Succinonitrile c110612  
1823 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1824 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1825 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1826 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1827 C5H5N E-2,4-pentadienenitrile bdcn  
1828 C5H5N Pyridine pyridine  
1829 B3N3H6 borazine borazine  
1830 C6H6 Fulvene fulvene  
1831 C5H6N+ Pyridinium c5h6n  
1832 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1833 C5H7N (E)-2-Pentenenitrile c26294984  
1834 C5H7N (E)-3-Pentenenitrile c16529661  
1835 C5H7N (Z)-2-Pentenenitrile c25899507  
1836 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1837 C5H7N Cyclobutanecarbonitrile c4426113  
1838 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1839 C5H9N Butanenitrile, 2-methyl- c18936179  
1840 C5H9N Pentanenitrile c110598  
1841 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1842 C6H10 Bicyclo[3.1.0]hexane c285585  
1843 C5H11N Cyclopentanamine cypentam  
1844 C5H11N Piperidine piper  
1845 C4H12N2 1,2-Butanediamine c4426486  
1846 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1847 Li2CO3 Lithium Carbonate li2co3  
1848 Na2CO3 Sodium Carbonate na2co3  
1849 C2O4-- oxalate anion c2o4  
1850 MgSO4 Magnesium Sulfate mgso4  
1851 N2O4 Dinitrogen tetroxide n2o4  
1852 C3H2O3 vinylene carbonate vica  
1853 C2H2O4 Oxalic Acid oxalic  
1854 C2H3NO3 Oxamic acid oxamic  
1855 C4H4O2 2(5H)-Furanone furanone  
1856 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1857 C2H4N2O2 Oxalamide oxalamide  
1858 C2H4N2S2 Ethanedithioamide c79403  
1859 C2H4CO3 Ethylene carbonate etco3  
1860 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1861 C3H4S3 1,3-Dithiolane-2-thione c822388  
1862 C2H4O4 Formic acid dimer fadimer  
1863 C4H5NO 3-Methylisoxazole isox3m  
1864 C4H5NO Isoxazole, 5-methyl- c5765446  
1865 C4H5NS 4-Methylthiazole c693958  
1866 C2H5NO3 Nitric acid, ethyl ester c625581  
1867 C5H6O 2H-Pyran pyran2  
1868 C5H6O 2-methylfuran furan2m  
1869 C5H6O 3-Methylfuran furan3m  
1870 C5H6O Pentadienal pdal  
1871 C5H6S Thiophene, 2-methyl- c554143  
1872 C5H6S Thiophene, 3-methyl- c616444  
1873 C4H6O2 γ–Butyrolactone c96480  
1874 C4H6O2 2,3-Butanedione c431038  
1875 C4H6O2 2-Propenoic acid, methyl ester c96333  
1876 C4H6O2 Crotonic Acid crot  
1877 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1878 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1879 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1880 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1881 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1882 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1883 C4H6OS Vinyl sulfoxide c1115157  
1884 CH6N4S Carbonothioic dihydrazide thiacarb  
1885 C2H6N2O2 (E)-Azodioxymethane c37765154  
1886 C2H6N2O2 Dimethylnitroamine c4164287  
1887 C3H6O3 1,3,5-Trioxane trioxane  
1888 C3H6S3 1,3,5-Trithiane c3h6s3  
1889 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1890 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1891 C4H7NO 2-Pyrrolidinone c616455  
1892 C4H7NO Ethoxyacetonitrile etoaccn  
1893 C4H7NO Methacrylamide c79390  
1894 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1895 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1896 C3H7ONO Propyl nitrite prono  
1897 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1898 CH3CH(NH2)COOH Alanine alanine  
1899 CH3NHCH2COOH Sarcosine sarcosine  
1900 NH2CH2CH2COOH β–alanine betaalanine  
1901 NH2COOC2H5 Urethane urethane  
1902 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1903 C5H8O Cyclopentanone c120923  
1904 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1905 C5H8O Methyl cyclopropyl ketone c765435  
1906 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1907 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1908 NH2CONHC2H5 Urea, ethyl- c625525  
1909 C4H8O2 1,3-Dioxane dioxan13  
1910 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1911 C4H8O2 1,4-Dioxane dioxan14  
1912 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1913 C4H8O2 Ethyl acetate c141786  
1914 C4H8OS s-Ethyl thioacetate c625605  
1915 C3H8O3 1,2,3-Propanetriol glycerin  
1916 C3H8O2S (Methylsulfonyl)ethane c594434  
1917 C4H9NO Butanamide c541355  
1918 C4H9NO Propanamide, 2-methyl- c563837  
1919 C5H10O 2-Butanone, 3-methyl- c563804  
1920 C5H10O 2H-Pyran, tetrahydro- c142687  
1921 C5H10O 2-methylbutyraldehyde 2meba  
1922 C5H10O 2-Pentanone mpk  
1923 C5H10O 3-Pentanone dek  
1924 C5H10O Cyclopentanol c96413  
1925 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1926 C5H10O Pentanal pal  
1927 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1928 C5H10S 3-Ethylthio-1-propene c5296628  
1929 C5H10S Cyclopentanethiol c1679078  
1930 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1931 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1932 C4H10O2 1,1-Dimethoxyethane c534156  
1933 C4H10O2 1,3-Butanediol budiol13  
1934 C4H10O2 1,4-Butanediol budiol14  
1935 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1936 C4H10OS Diethyl sulfoxide c70291  
1937 C4H10S2 1,4-Butanedithiol budisl14  
1938 C4H11NO Diethylhydroxylamine c3710847  
1939 C5H12O 1-Butanol, 2-methyl- c137326  
1940 C5H12O 1-Butanol, 3-methyl- c123513  
1941 C5H12O 1-Pentanol pentanol1  
1942 C5H12O 2-Butanol, 3-methyl- c598754  
1943 C5H12O 2-Pentanol peol2  
1944 C5H12O 3-Pentanol pentan3ol  
1945 C5H12O Butane, 1-methoxy- meobu  
1946 C5H12O Propane, 1-ethoxy- proet  
1947 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1948 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1949 C5H12S 1-Butanethiol, 3-methyl- c541311  
1950 C5H12S 1-Pentanethiol c110667  
1951 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1952 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1953 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1954 C5H12S Butane, 1-(methylthio)- c628295  
1955 C5H12S Ethyl propyl sulfide c4110503  
1956 C5H12S Propane, 2-(ethylthio)- c5145993  
1957 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1958 C4F2 difluorobutadiyne c4f2  
1959 ClCOClCO Oxalyl chloride oxcl  
1960 CF3CN Acetonitrile, trifluoro- cf3cn  
1961 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1962 B2F4 Diboron tetrafluoride b2f4  
1963 B2Cl4 Diboron tetrachloride b2cl4  
1964 C2F4 Tetrafluoroethylene c2f4  
1965 C2F4+ Tetrafluoroethylene cation c2f4+  
1966 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1967 CF2CCl2 difluorodichloroethylene cf2ccl2  
1968 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1969 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1970 C2FCl3 fluorotrichloroethene c2fcl3  
1971 C2Cl4 Tetrachloroethylene c2cl4  
1972 C2Br4 tetrabromoethene c2br4  
1973 CF3OF Trifluoromethylhypofluorite cf3of  
1974 SiF5- silicon pentafluoride anion sif5-  
1975 SOF4 Sulfur tetrafluoride oxide sof4  
1976 PF5 Phosphorus pentafluoride pf5  
1977 AsF5 Arsenic pentafluoride asf5  
1978 PCl5 Phosphorus pentachloride pcl5  
1979 SF5 Sulfur pentafluoride sf5  
1980 SF5+ pentafluoro sulfur cation sf5+  
1981 SbCl5 Antimony pentachloride sbcl5  
1982 BrF5 bromine pentafluoride brf5  
1983 ClF5 chlorinepentafluoride clf5  
1984 IF5 pentafluoroiodine if5  
1985 CF3CHO trifluoroacetaldehyde cf3cho  
1986 CCl3CHO trichloroacetaldehyde ccl3cho  
1987 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1988 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1989 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1990 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1991 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1992 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1993 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1994 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1995 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1996 CF3COOH trifluoroacetic acid cf3cooh  
1997 C4H3ClO Furan, 2-chloro fur2cl  
1998 C4H3ClO Furan,3-chloro fur3cl  
1999 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
2000 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
2001 C4H8Cl2 1,4-Dichlorobutane c110565  
2002 C4H8Cl2 Butane, 1,2-dichloro- c616217  
2003 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
2004 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
2005 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
2006 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
2007 C5H11Cl Pentane, 1-chloro- pencl1  
2008 C4H8O2 Butanoic acid bua  
2009 C6H5CH2 benzyl radical benzyl  
2010 C7H7 cycloheptatrienyl radical c7h7  
2011 C7H7+ cycloheptatrienyl cation c7h7+  
2012 C6H5CH3 toluene toluene  
2013 C7H8 cycloheptatriene cht  
2014 C7H8 Norbornadiene norbor  
2015 C7H8 Quadricyclane qucy  
2016 C7H12 Norbornane nor  
2017 C7H14 cycloheptane c7h14  
2018 C7H16 2-methylhexane 2mhex  
2019 C7H16 3-methylhexane hex3m  
2020 C7H16 heptane heptane  
2021 CH(CN)3 tricyanomethane mecn3  
2022 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
2023 C6H7N 2-Methylpyridine mp  
2024 C6H5NH2 aniline aniline  
2025 C6H13N 2-Methylpiperidine pip2m  
2026 C6H13N cyclohexanamine cham  
2027 C6H15N triethylamine tea  
2028 N2O5 Dinitrogen pentoxide n2o5  
2029 C4H2O3 Maleic Anhydride malan  
2030 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
2031 C5H4O2 furfural furfural  
2032 C6H5O phenoxy radical phenoxy  
2033 C5H5NO 2(1H)-Pyridinone c72762006  
2034 C5H5NO 2(3H)-Pyridinone c9000048  
2035 C5H5NO 2(5H)-Pyridinone c9000037  
2036 C5H5NO 2-Pyridinol c109104  
2037 C5H5NO 3(2H)-Pyridinone c9000004  
2038 C5H5NO 3(4H)-Pyridinone c9000026  
2039 C5H5NO 3(6H)-Pyridinone c9000015  
2040 C5H5NO 3-Pyridinol c109002  
2041 C5H5NO 4(1H)-Pryidinone c9000060  
2042 C5H5NO 4(3H)-Pryidinone c9000059  
2043 C5H5NO 4-Pyridinol c626642  
2044 C6H5OH phenol phenol  
2045 C6H6O 2,4-Cyclohexadienone c24599573  
2046 C6H6O 2,5-Cyclohexadienone c5664335  
2047 C6H5SH Benzenethiol phsh  
2048 HO2CCHNH2CH2OH Serine serine  
2049 C5H8O2 Acetylacetone acac  
2050 C4H8O2S Sulfolane sulfolane  
2051 C7H10 Norbornene norbornene  
2052 CH(C2H3)3 trivinyl methane tvm  
2053 C6H10O cyclohexanone chexo  
2054 C6H12O hexanal c6h12o  
2055 C6H12O Oxepane oxepane  
2056 C3H7OC3H7 di-n-propyl ether propr  
2057 F2CCCF2 tetrafluoroallene pfa  
2058 CF3COO- trifluoro acetate anion cf3coo-  
2059 CF3COF trifluoroacetyl fluoride cf3cof  
2060 CF3COCl trifluoroacetyl chloride cf3cocl  
2061 PF6 Hexafluorophosphate neutral pf6  
2062 PF6- Hexafluorophosphate ion pf6-  
2063 SF6 Sulfur Hexafluoride sf6  
2064 SeF6 Selenium hexafluoride sef6  
2065 SF5Cl sulfur chloropentafluoride sf5cl  
2066 CF3CHF2 pentafluoroethane cf3chf2  
2067 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
2068 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2069 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2070 CCl3CHCl2 pentachloroethane ccl3chcl2  
2071 C6H5F Fluorobenzene bzf  
2072 C6H5Cl chlorobenzene bzcl  
2073 C6H5Br bromobenzene bzbr  
2074 C8H6 Calicene calicene  
2075 C6H5CCH phenylacetylene phac  
2076 C8H6 benzocyclobutadiene bcbd  
2077 C8H6 Pentalene pentalene  
2078 C6H5CHCH2 Styrene styrene  
2079 C8H8 cubane cubane  
2080 C8H8 cyclooctatetraene cot  
2081 C6H5CH2CH3 Ethylbenzene etbz  
2082 CH3C6H4CH3 meta-xylene mxylene  
2083 CH3C6H4CH3 paraxylene pxylene  
2084 C8H14 Bicyclo[2.2.2]octane bico222  
2085 C8H16 cyclooctane cyclooct  
2086 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2087 C8H18 Octane c8h18  
2088 C6H5CN phenyl cyanide phcn  
2089 C6H12N2 Triethylenediamine ted  
2090 C4O4-- squarate dianion c4o4--  
2091 S4N4 Tetrasulfur tetranitride s4n4  
2092 S8 Octasulfur s8  
2093 C6H4O2 parabenzoquinone pbq  
2094 C4H4N2O2 Uracil uracil  
2095 C6H5CHO benzaldehyde benzal  
2096 C6H5OCH3 Anisole anisole  
2097 C5H9NO2 Proline proline  
2098 C6H12O2 Methyl pivalate c598981  
2099 C6H12O2 Hexanoic acid hexa  
2100 C4F4 tetrafluorcyclobutadiene c4f4  
2101 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2102 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2103 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2104 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2105 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2106 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2107 C2F6 hexafluoroethane c2f6  
2108 C2Cl6 hexachloroethane c2cl6  
2109 IF7 Iodine heptafluoride if7  
2110 C6H4F2 metadifluorobenzene mdfb  
2111 C6H4F2 orthodifluorobenzene odfb  
2112 C6H4F2 1,4-difluorobenzene pdfb  
2113 C6H4Cl2 1,2-dichlorobenzene dcb12  
2114 C6H4Cl2 1,3-dichlorobenzene dcb13  
2115 C6H4Cl2 1,4-dichlorobenzene dcb14  
2116 C6H5NO nitrosobenzene bzno  
2117 C9H8 Indene indene  
2118 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2119 C9H12 n-propyl benzene prbz  
2120 C9H20 Nonane nonane  
2121 C(CN)4 tetracyanomethane c5n4  
2122 C5H4N4 purine purine  
2123 C8H7N Indole indole  
2124 C3H3N3O3 cyanuric acid cyanuric  
2125 C6H5NO2 Nitrobenzene c6h5no2  
2126 C6H5COOH benzoic acid benzo  
2127 CH3COC6H5 acetophenone acph  
2128 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2129 C3F6 hexafluoropropene c3f6  
2130 C6H3F3 Benzene trifluoride 123 bzf3a  
2131 C8H18O 1-Octanol octanol  
2132 C10H8 Azulene azu  
2133 C10H8 naphthalene naph  
2134 C10H10 bullvalene bullv  
2135 C10H16 adamantane adamantane  
2136 C6N4 Tetracyanoethylene tcne  
2137 C6N4- tetracyanoethylene anion tcne-  
2138 C10H22 Decane decane  
2139 C4F6 perfluorobutadiene c4f6  
2140 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2141 C3F8 perfluoropropane c3f8  
2142 Fe(CO)5 Iron pentacarbonyl ipc  
2143 Fe(C5H5)2 ferrocene fecp2  
2144 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2145 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2146 C12H8 Acenaphthylene acenaph  
2147 C12H8 biphenylene biph  
2148 C12H10 biphenyl biphenyl  
2149 C12H10 Heptalene heptalene  
2150 C6H12O6 Inositol inositol  
2151 C6F6 hexafluorobenzene c6f6  
2152 S2F10 disulphur decafluoride s2f10  
2153 C13H10 Fluorene fluorene  
2154 C14H10 Anthracene anth  
2155 C14H10 Phenanthrene phenanthrene  
2156 C14H14 Bibenzyl bibenzyl  
2157 C12H10N2 azobenzene azobenzene  
2158 C6H5COC6H5 benzophenone benzophenone  
2159 C16H10 Pyrene pyrene  
2160 C18H12 Tetracene tetracene  
2161 C19H16 Triphenylmethane tpm  
2162 C24H12 Coronene coronene  
2163 C60 Buckminsterfullerene c60