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 CCSD(T)_cp_opt /6-31G*

Jump to calculations not yet done
count Species Name State Conformation
1 H2O Water 1A1C2v
2 H2OH2O water dimer 1A'Cs
3 H2ONH3 Water Ammonia Dimer 1A'C1
4 H2OH2CO water formaldehyde dimer 1AC1

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 li  
20 Li- Lithium atom anion li-  
21 Li+ Lithium atom cation li+  
22 Na Sodium atom na  
23 Na- Sodium atom anion na-  
24 Na+ Sodium atom cation na+  
25 K Potassium atom k  
26 K- Potassium atom anion k-  
27 K+ Potassium atom cation k+  
28 Cu Copper atom cu  
29 Cu- Copper atom anion cu-  
30 Cu+ Copper atom cation cu+  
31 LiH Lithium Hydride lih  
32 LiH- lithium hydride anion lih-  
33 LiH+ lithium hydride cation lih+  
34 NaH sodium hydride nah  
35 NaH- sodium hydride anion nah-  
36 NaH+ sodium hydride cation nah+  
37 KH Potassium hydride kh  
38 KH+ Potassium hydrogen cation kh+  
39 CuH Copper monohydride cuh  
40 Be Beryllium atom be  
41 Be- Beryllium atom anion be-  
42 Be+ Beryllium atom cation be+  
43 Mg Magnesium atom mg  
44 Mg- Magnesium atom anion mg-  
45 Mg+ Magnesium atom cation mg+  
46 Ca Calcium atom ca  
47 Ca- Calcium atom anion ca-  
48 Ca+ Calcium atom cation ca+  
49 Zn Zinc atom zn  
50 Zn- Zinc atom anion zn-  
51 Zn+ Zinc atom cation zn+  
52 BeH beryllium monohydride beh  
53 BeH- berylium monohydride anion beh-  
54 BeH+ beryllium monohydride cation beh+  
55 MgH magnesium monohydride mgh  
56 MgH- magnesium monohydride anion mgh-  
57 MgH+ magnesium monohydride cation mgh+  
58 CaH Calcium monohydride cah  
59 CaH+ Calcium monohydride cation cah+  
60 TiH Titanium monohydride tih  
61 ZnH Zinc monohydride znh  
62 ZnH+ Zinc, protonated znh+  
63 BeH2 beryllium dihydride beh2  
64 BeH2+ Beryllium dihydride cation beh2+  
65 MgH2 magnesium dihydride mgh2  
66 CaH2 Calcium Hydride cah2  
67 ZnH2 Zinc hydride znh2  
68 B Boron atom b  
69 B- Boron atom anion b-  
70 B+ Boron atom cation b+  
71 Al Aluminum atom al  
72 Al- Aluminum atom anion al-  
73 Al+ Aluminum atom cation al+  
74 Sc Scandium atom sc  
75 Sc+ Scandium cation sc+  
76 Ga Gallium atom ga  
77 Ga- Gallium atom anion ga-  
78 Ga+ Gallium atom cation ga+  
79 BH Boron monohydride bh  
80 BH- boron monohydride anion bh-  
81 BH+ boron monohydride cation bh+  
82 AlH aluminum monohydride alh  
83 AlH- aluminum monohydride anion alh-  
84 AlH+ aluminum monohydride cation alh+  
85 ScH Scandium monohydride sch  
86 ScH+ Scandium monohydride cation sch+  
87 GaH Gallium monohydride gah  
88 GaH+ Gallium monohydride cation gah+  
89 BH2 boron dihydride bh2  
90 BH2- boron dihydride anion bh2-  
91 BH2+ Boron dihydride cation bh2+  
92 AlH2 aluminum dihydride alh2  
93 AlH2- aluminum dihydride anion alh2-  
94 AlH2+ aluminum dihydride cation alh2+  
95 BH3 boron trihydride bh3  
96 BH3- boron trihydride anion bh3-  
97 BH3+ boron trihydride cation bh3+  
98 AlH3 aluminum trihydride alh3  
99 AlH3- aluminum trihydride anion alh3-  
100 AlH3+ aluminum trihydride cation alh3+  
101 ScH3 Scandium trihydride sch3  
102 GaH3 Gallium trihydride gah3  
103 BH4 borohydride bh4  
104 BH4- borohydride anion bh4-  
105 AlH4- Aluminum tetrahydride anion alh4-  
106 C Carbon atom c  
107 C- Carbon atom anion c-  
108 C+ Carbon atom cation c+  
109 Si Silicon atom si  
110 Si- Silicon atom anion si-  
111 Si+ Silicon atom cation si+  
112 Ti Titanium atom ti  
113 Ti- Titanium atom anion ti-  
114 Ti+ Titanium atom cation ti+  
115 Ge Germanium atom ge  
116 Ge- Germanium anion ge-  
117 Ge+ Germanium cation ge+  
118 Sn Tin atom sn  
119 Sn+ Tin cation sn+  
120 CH Methylidyne ch  
121 CH- methylidyne anion ch-  
122 CH+ Methylidyne cation ch+  
123 SiH Silylidyne sih  
124 SiH- silicon monohydride anion sih-  
125 SiH+ silicon monohydride cation sih+  
126 GeH germylidene geh  
127 GeH+ Germaniun monohyrdide cation geh+  
128 CH2 Methylene ch2  
129 CH2- methylene anion ch2-  
130 CH2+ methylene cation ch2+  
131 SiH2 silicon dihydride sih2  
132 SiH2- silicon dihydride anion sih2-  
133 SiH2+ silicon dihydride cation sih2+  
134 GeH2 germylene geh2  
135 GeH2- germylene anion geh2-  
136 CH3 Methyl radical ch3  
137 CH3- methyl anion ch3-  
138 CH3+ methyl cation ch3+  
139 SiH3 Silyl radical sih3  
140 SiH3- Silyl anion sih3-  
141 SiH3+ Silyl cation sih3+  
142 GeH3 Germyl radical geh3  
143 GeH3+ germyl cation geh3+  
144 CD4 methane-d4 cd4  
145 CH2D2 methane-d2 ch2d2  
146 CH3D methane-d ch3d  
147 CH4 Methane ch4  
148 CH4- Methane anion ch4-  
149 CH4+ Methane cation ch4+  
150 CHD3 methane-d3 chd3  
151 SiH2D2 silane-d2 sih2d2  
152 SiH4 Silane sih4  
153 SiH4+ Silane cation sih4+  
154 GeH4 Germane geh4  
155 SnH4 Stannane snh4  
156 SiH5+ Silane, protonated sih5+  
157 N Nitrogen atom n  
158 N- Nitrogen atom anion n-  
159 N+ Nitrogen atom cation n+  
160 P Phosphorus atom p  
161 P- Phosphorus atom anion p-  
162 P+ Phosphorus atom cation p+  
163 V Vanadium atom v  
164 V+ Vanadium atom cation v+  
165 As Arsenic atomic as  
166 As- Arsenic anion as-  
167 As+ Arsenic cation as+  
168 Sb Antimony atom sb  
169 NH Imidogen nh  
170 NH- Imidogen anion nh-  
171 NH+ imidogen cation nh+  
172 PH phosphorus monohydride ph  
173 PH- phosphorus monohydride anion ph-  
174 PH+ phosphorus monohydride cation ph+  
175 AsH Arsenic monohydride ash  
176 AsH+ Arsenic monohydride cation ash+  
177 SbH Antimony monohydride sbh  
178 ND2 Amidogen-d2 nd2  
179 NH2 Amino radical nh2  
180 NH2- amino anion nh2-  
181 NH2+ Amino cation nh2+  
182 PH2 Phosphino radical ph2  
183 PH2- Phosphino anion ph2-  
184 PH2+ Phosphino cation ph2+  
185 AsH2 Arsenic dihydride ash2  
186 AsH2+ Arsenic dihydride cation ash2+  
187 ND3 Ammonia-d3 nd3  
188 NH3 Ammonia nh3  
189 NH3- Ammonia anion nh3-  
190 NH3+ ammonia cation nh3+  
191 PH3 Phosphine ph3  
192 PH3+ Phosphine cation ph3+  
193 AsH3 Arsine ash3  
194 AsH3+ Arsine cation ash3+  
195 SbH3 Stibine sbh3  
196 AsH4+ Arsonium ash4+  
197 NH4 Ammonium radical nh4  
198 NH4+ ammonium cation nh4+  
199 PH4 Phosphoranyl radical ph4  
200 PH4+ phosphonium cation ph4+  
201 O Oxygen atom o  
202 O- Oxygen atom anion o-  
203 O+ Oxygen atom cation o+  
204 S Sulfur atom s  
205 S- Sulfur atom anion s-  
206 S+ Sulfur atom cation s+  
207 Cr Chromium atom cr  
208 Se Selenium atom se  
209 Se- Selenium atom anion se-  
210 Se+ Selenium atom cation se+  
211 Te Tellurium atom te  
212 Te+ Tellurium atom cation te+  
213 DO Hydroxyl-d od  
214 OH Hydroxyl radical oh  
215 OH- hydroxide anion oh-  
216 OH+ hydoxyl cation oh+  
217 DS Mercapto-d ds  
218 HS Mercapto radical hs  
219 HS- mercapto anion sh-  
220 HS+ sulfur monohydride cation sh+  
221 CrH Chromium hydride crh  
222 CrH+ Chromium hydride cation crh+  
223 HSe Selenium monohydride hse  
224 HSe- selenium monohydride anion hse-  
225 HSe+ selenium monohydride cation hse+  
226 TeH Telluryl radical teh  
227 D2O Deuterium oxide d2o  
228 H2O- water anion h2o-  
229 H2O+ water cation h2o+  
230 HDO Water-d1 hdo  
231 D2S Hydrogen sulfide-d2 d2s  
232 H2S Hydrogen sulfide h2s  
233 H2S- Hydrogen sulfide anion h2s-  
234 H2S+ Hydrogen sulfide cation h2s+  
235 H2Se Hydrogen selenide h2se  
236 H2Se+ Hydrogen selenide cation h2se+  
237 H2Te Hydrogen Telluride h2te  
238 H3O+ hydronium cation h3o+  
239 H3S+ Sulfonium cation h3s+  
240 H3Se+ Hydrogen Selenide, protonated h3se+  
241 F Fluorine atom f  
242 F- Fluorine atom anion f-  
243 F+ Fluorine atom cation f+  
244 Cl Chlorine atom cl  
245 Cl- Chlorine atom anion cl-  
246 Cl+ Chlorine atom cation cl+  
247 Mn Manganese atom mn  
248 Br Bromine atom br  
249 Br- Bromine atom anion br-  
250 Br+ Bromine atom cation br+  
251 I Iodine atom iodine  
252 I- Iodine atom anion iodine-  
253 I+ Iodine atom cation iodine+  
254 DF Hydrofluoric acid-d df  
255 HF Hydrogen fluoride hf  
256 HF- hydrogen fluoride anion hf-  
257 HF+ hydrogen fluoride cation hf+  
258 DCl Hydrochloric acid-d dcl  
259 HCl Hydrogen chloride hcl  
260 HCl- hydrogen chloride anion hcl-  
261 HCl+ hydrogen chloride cation hcl+  
262 HBr hydrogen bromide hbr  
263 HBr- hydrogen bromide anion hbr-  
264 HBr+ hydrogen bromide cation hbr+  
265 HI Hydrogen iodide hi  
266 HI+ Hydrogen iodide cation hi+  
267 H2F+ dihydrogen fluoride cation h2f+  
268 H2Cl+ dihydrogen monochloride cation h2cl+  
269 H2Br+ protonated hydrogen bromide h2br+  
270 H2I+ Iodonium h2i+  
271 Ne Neon atom ne  
272 Ne- Neon atom anion ne-  
273 Ne+ Neon atom cation ne+  
274 Ar Argon atom ar  
275 Ar- Argon atom anion ar-  
276 Ar+ Argon atom cation ar+  
277 Fe Iron atom fe  
278 Kr Krypton atom kr  
279 Kr+ Krypton cation kr+  
280 Xe Xenon atom xe  
281 HeLi+ Helium Lithium cation heli+  
282 NeH neon hydrogen neh  
283 NeH+ neon hydrogen cation neh+  
284 ArH+ Argon hydride cation arh+  
285 KrH+ Protonated Krypton krh+  
286 XeH+ Xenon, protonated xeh+  
287 H2Ar H2 Ar dimer h2ar  
288 Co Cobalt atom cobalt  
289 Ni Nickel atom ni  
290 Li2 Lithium diatomic li2  
291 Li2- lithium diatomic anion li2-  
292 Li2+ lithium diatomic cation li2+  
293 NaLi lithium sodium lina  
294 NaLi- lithium sodium anion lina-  
295 NaLi+ lithium sodium cation lina+  
296 LiK Lithium Potassium lik  
297 Na2 Sodium diatomic na2  
298 Na2- sodium diatomic anion na2-  
299 Na2+ sodium diatomic cation na2+  
300 NaK Sodium Potassium nak  
301 NaK+ Sodium Potassium diatomic cation nak+  
302 K2 Potassium diatomic k2  
303 Cu2 Copper diatomic cu2  
304 LiBe Lithium Beryllium libe  
305 LiMg Lithium magnesium limg  
306 NaBe Sodium Beryllium nabe  
307 NaMg Sodium Magnesium namg  
308 Be2 Beryllium diatomic be2  
309 Be2- Beryllium diatomic anion be2-  
310 Be2+ Beryllium diatomic cation be2+  
311 BeMg Beryllium Magnesium bemg  
312 Mg2 Magnesium diatomic mg2  
313 Mg2- magnesium diatomic anion mg2-  
314 Mg2+ magnesium diatomic cation mg2+  
315 Ca2 Calcium diatomic ca2  
316 LiB Lithium boride lib  
317 LiAl Lithium Aluminum lial  
318 NaAl Sodium aluminum naal  
319 BeB Beryllium monoboride beb  
320 B2 Boron diatomic b2  
321 B2- Boron diatomic anion b2-  
322 B2+ Boron diatomic cation b2+  
323 BAl Boron Aluminum bal  
324 Al2 Aluminum diatomic al2  
325 Al2- aluminum diatomic anion al2-  
326 Al2+ aluminum diatomic cation al2+  
327 BGa Boron Gallium bga  
328 AlGa Aluminum Gallium alga  
329 Ga2 Gallium diatomic ga2  
330 HBBH Diborane(2) hbbh  
331 LiBH4 Lithium borohydride libh4  
332 B2H4 Diborane(4) D2d b2h4  
333 HBHHBH Diborane(4) C2V hbhhbh  
334 B2H6 Diborane b2h6  
335 B2H6+ Diborane cation b2h6  
336 Al2H6 dialane al2h6  
337 Ga2H6 digallane ga2h6  
338 LiC Lithium Carbide lic  
339 BeC Beryllium Carbide bec  
340 CaC Calcium monocarbide cac  
341 BC boron monocarbide bc  
342 BC- boron monocarbide anion bc-  
343 BC+ boron monocarbide cation bc+  
344 AlC Aluminum carbide alc  
345 BSi Boron silicide bsi  
346 C2 Carbon diatomic c2  
347 C2- carbon diatomic anion c2-  
348 C2+ carbon diatomic cation c2+  
349 SiC silicon monocarbide sic  
350 SiC- silicon monocarbide anion sic-  
351 SiC+ silicon monocarbide cation sic+  
352 Si2 Silicon diatomic si2  
353 Si2- silcon diatomic anion si2-  
354 Si2+ silcon diatomic cation si2+  
355 GeC Germanium monocarbide gec  
356 SiGe Silicon Germanium sige  
357 Ge2 Germanium diatomic ge2  
358 C2H Ethynyl radical c2h  
359 C2H- Ethynyl anion c2h-  
360 C2H+ Ethynyl cation c2h+  
361 ZnCH2 Zinc methylene znch2  
362 C2H2 Acetylene c2h2  
363 C2H2+ acetylene cation c2h2+  
364 CCH2 vinylidene vinylidene  
365 H2CC- vinylidene anion h2cc-  
366 HCCH- acetylene anion c2h2-  
367 Si2H2 disilyne si2h2  
368 CH3Li methyl lithium ch3li  
369 CuCH3 monomethyl copper cuch3  
370 ZnCH3 Zinc monomethyl znch3  
371 CH2BH methyleneborane ch2bh  
372 C2H3 vinyl c2h3  
373 C2H3- vinyl anion c2h3-  
374 C2H3+ vinyl cation c2h3+  
375 C2H4 Ethylene c2h4  
376 C2H4- Ethylene anion c2h4-  
377 C2H4+ Ethylene cation c2h4+  
378 CH3CH methylmethylene ch3ch  
379 CH2SiH2 silaethylene ch2sih2  
380 Si2H4 Disilene si2h4  
381 CH3BH2 methylborane ch3bh2  
382 C2H5 Ethyl radical c2h5  
383 C2H5- Ethyl anion c2h5-  
384 C2H5+ Ethyl cation c2h5+  
385 C2H6 Ethane c2h6  
386 C2H6+ ethane cation c2h6+  
387 CH3SiH3 methyl silane ch3sih3  
388 Si2H6 disilane si2h6  
389 GeH3CH3 methyl germane geh3ch3  
390 C2H7+ Ethane, protonated c2h7+  
391 LiN Lithium Nitride lin  
392 LiN+ Lithium Nitride cation lin+  
393 LiP Lithium monophosphide lip  
394 BeN Beryllium mononitride ben  
395 BeN- Beryllium mononitride anion ben-  
396 BeN+ Beryllium mononitride cation ben+  
397 MgN Magnesium Nitride mgn  
398 BN- boron nitride anion bn-  
399 AlN- aluminum mononitride anion aln-  
400 AlN+ aluminum mononitride cation aln+  
401 BP Boron monophosphide bp  
402 AlP Aluminum monophosphide alp  
403 GaN Gallium mononitride gan  
404 GaP Gallium monophosphide gap  
405 GaAs Gallium arsenide gaas  
406 BN boron nitride bn  
407 BN+ boron nitride cation bn+  
408 AlN Aluminum nitride aln  
409 CN Cyano radical cn  
410 CN- cyanide anion cn-  
411 CN+ Cyano cation cn+  
412 CP Carbon monophosphide cp  
413 CP- carbon monophosphide anion cp-  
414 CP+ carbon monophosphide cation cp+  
415 SiN Silicon nitride sin  
416 SiN- silicon mononitride anion sin-  
417 SiN+ silicon mononitride cation sin+  
418 SiP Silicon monophosphide sip  
419 SiP- Silicon monophosphide anion sip-  
420 SiP+ Silicon monophosphide cation sip+  
421 TiN Titanium mononitride tin  
422 N2 Nitrogen diatomic n2  
423 N2- nitrogen diatomic anion n2-  
424 N2+ diatomic nitrogen cation n2+  
425 PN Phosphorus mononitride pn  
426 PN- phosphorus nitride anion pn-  
427 PN+ phosphorus nitride cation pn+  
428 P2 Phosphorus diatomic p2  
429 P2- phosphorus diatomic anion p2-  
430 P2+ phosphorus diatomic cation p2+  
431 AsN Arsenic mononitride asn  
432 AsP Arsenic monophosphide asp  
433 SbN Antimony nitride sbn  
434 As2 Arsenic diatomic as2  
435 HNB hydrogen nitrogen boron hnb  
436 HNC hydrogen isocyanide hnc  
437 HCN Hydrogen cyanide hcn  
438 HCN- Hydrogen cyanide anion hcn-  
439 HCN+ hydrogen cyanide cation hcn+  
440 HNC+ hydrogen isocyanide cation hnc+  
441 HCP Phosphaethyne hcp  
442 HCP+ Phosphaethyne cation hcp+  
443 NNH Dinitrogen monohydride nnh  
444 NNH+ Dinitrogen monohydride cation nnh+  
445 HPO Hydrogen phosphorus oxide hpo  
446 HPO+ Hydrogen phosphorus oxide cation hpo+  
447 LiNH2 lithium amide linh2  
448 HBNH Boranimine hbnh  
449 CNH2 Aminomethylidyne radical cnh2  
450 CNH2+ N-protonated hydrogen isocyanide cnh2+  
451 H2CN Dihydrogen cyanide radical h2cn  
452 H2CN+ hydrocyanonium cation h2cn+  
453 HCNH methyleneazane hcnh  
454 HCNH+ N-protonated HCN hcnh+  
455 H2NN Isodiazene h2nn  
456 N2H2 (E)-diazene n2h2  
457 N2H2 (Z)-Diazene n2h2z  
458 N2H2+ trans-diazene cation n2h2+  
459 CH2NH Methanimine ch3n  
460 CH2NH+ Methanimine cation ch2nh+  
461 CHNH2 aminomethylene chnh2  
462 CHNH2+ Aminocarbene cation chnh2+  
463 CH2PH Phosphaethene ch3p  
464 BH2NH2 Boranamine bh2nh2  
465 CH2NH2+ methyleneamine cation ch2nh2+  
466 N2H4 Hydrazine n2h4  
467 N2H4+ hydrazine cation n2h4+  
468 P2H4 Diphosphine p2h4  
469 CH3NH2 methyl amine ch3nh2  
470 CH3NH2+ methyl amine cation ch3nh2+  
471 CH3PH2 Methyl phosphine ch3ph2  
472 SiH3NH2 Silane, amino sih3nh2  
473 N2H5+ protonated hydrazine n2h5+  
474 BH3PH3 borane phosphine bh3ph3  
475 BH3NH3 borane ammonia bh3nh3  
476 CH3NH3 methyl ammonium radical ch3nh3  
477 CH3NH3+ protonated methylamine ch3nh3+  
478 CH3PH3+ methyl phosphine, protonated ch3ph3+  
479 NH3NH3 Ammonia Dimer nh3nh3  
480 N2H7+ ammonia ammonium dimer n2h7+  
481 LiO lithium oxide lio  
482 LiO- lithium oxide anion lio-  
483 LiO+ lithium oxide cation lio+  
484 LiS Lithium monosulfide lis  
485 LiS+ Lithium sulfide cation lis+  
486 NaO sodium monoxide nao  
487 NaO- sodium oxide anion nao-  
488 NaO+ sodium oxide cation nao+  
489 KO Potassium monoxide ko  
490 KO+ Potassium monoxide cation ko+  
491 NaS Sodium sulfide nas  
492 CuO Copper Monoxide cuo  
493 LiSe Lithium monoselenide lise  
494 BeO beryllium oxide beo  
495 BeO- Beryllium monoxide anion beo-  
496 BeO+ Beryllium monoxide cation beo+  
497 BeS beryllium sulfide bes  
498 MgO magnesium oxide mgo  
499 MgO- magnesium oxide anion mgo-  
500 MgO+ magnesium oxide cation mgo+  
501 CaO Calcium monoxide cao  
502 MgS magnesium sulfide mgs  
503 MgS- magnesium sulfide anion mgs-  
504 MgS+ magnesium sulfide cation mgs+  
505 CaS Calcium sulfide cas  
506 ZnO zinc monoxide zno  
507 ZnS Zinc sulfide zns  
508 BeS- Beryllium monosulfide anion bes-  
509 BeS+ Beryllium monosulfide cation bes+  
510 BO boron monoxide bo  
511 BO- boron monoxide anion bo-  
512 AlO Aluminum monoxide alo  
513 AlO- Aluminum monoxide anion alo-  
514 AlO+ aluminum monoxide cation alo+  
515 BS boron sulfide bs  
516 BS- boron monosulfide anion bs-  
517 BS+ boron monosulfide cation bs+  
518 AlS Aluminum sulfide als  
519 AlS- aluminum monosulfide anion als-  
520 AlS+ aluminum monosulfide cation als+  
521 ScO Scandium monoxide sco  
522 GaO Gallium monoxide gao  
523 GaS Gallium monosulfide gas  
524 BO+ boron monoxide cation bo+  
525 CO Carbon monoxide co  
526 CO- carbon monoxide anion co-  
527 CO+ carbon monoxide cation co+  
528 CS carbon monosulfide cs  
529 CS- carbon monosulfide anion cs-  
530 CS+ carbon monosulfide cation cs+  
531 SiO Silicon monoxide sio  
532 SiO- silicon monoxide anion sio-  
533 SiO+ silicon monoxide cation sio+  
534 SiS silicon monosulfide sis  
535 SiS- silicon monosulfide anion sis-  
536 SiS+ silicon monosulfide cation sis+  
537 TiO Titanium monoxide tio  
538 CSe Carbon monoselenide cse  
539 CSe- Carbon monoselenide anion cse-  
540 CSe+ Carbon monoselenide cation cse+  
541 GeO Germanium monoxide geo  
542 GeO+ Germanium monoxide cation geo+  
543 GeS Germanium monosulfide ges  
544 SiSe Silicon Monoselenide sise  
545 SiSe+ Silicon Monoselenide cation sise+  
546 GeSe Germanium monoselenide gese  
547 NO Nitric oxide no  
548 NO- nitric oxide anion no-  
549 NO+ nitric oxide cation no+  
550 NS Mononitrogen monosulfide ns  
551 NS- nitrogen sulfide anion ns-  
552 NS+ nitrogen sulfide cation ns+  
553 PO Phosphorus monoxide po  
554 PO- phosphorus monoxide anion po-  
555 PO+ phosphorus monoxide cation po+  
556 PS phosphorus sulfide ps  
557 PS- phosphorus monosulfide anion ps-  
558 PS+ phosphorus monosulfide cation ps+  
559 VO Vanadium monoxide vo  
560 AsO Arsenic monoxide aso  
561 NSe Nitrogen monoselenide nse  
562 AsS Arsenic monosulfide ass  
563 PSe Phosphorus monoselenide pse  
564 AsSe Arsenic monoselenide asse  
565 O2 Oxygen diatomic o2  
566 O2- oxygen diatomic anion o2-  
567 O2-- dioxygen dianion o2--  
568 O2+ diatomic oxygen cation o2+  
569 SO Sulfur monoxide so  
570 SO- sulfur monoxide anion so-  
571 SO+ sulfur monoxide cation so+  
572 S2 Sulfur diatomic s2  
573 S2- sulfur diatomic anion s2-  
574 S2+ sulfur diatomic cation s2+  
575 SeO Selenium monoxide seo  
576 SeO- selenium monoxide anion seo-  
577 SeO+ selenium monoxide cation seo+  
578 SeS Selenium monosulfide ses  
579 SeS- selenium monosulfide anion ses-  
580 SeS+ selenium monosulfide cation ses+  
581 TeO Tellurium monoxide teo  
582 Se2 Selenium diatomic se2  
583 Se2- selenium diatomic anion se2-  
584 Se2+ selenium diatomic cation se2+  
585 Te2 Tellurium diatomic te2  
586 LiOH lithium hydroxide lioh  
587 NaOH sodium hydroxide naoh  
588 KOH Potassium hydroxide koh  
589 BeOH beryllium monohydroxide beoh  
590 MgOH magnesium hydroxide mgoh  
591 CaOH Calcium monohydroxide caoh  
592 HBO Boron hydride oxide hbo  
593 HBS hydrogen boron sulfide hbs  
594 COH Hydroxymethylidyne coh  
595 COH+ Carbon Monoxide, protonated coh+  
596 HCO Formyl radical hco  
597 HCO- formyl anion hco-  
598 HCO+ Formyl cation hco+  
599 HCS Thioformyl radical hcs  
600 HCS- Thioformyl anion hcs-  
601 HCS+ Thioformyl cation hcs+  
602 HNO Nitrosyl hydride hno  
603 HNO- Nitrosyl hydride anion hno-  
604 HNO+ Nitrosyl hydride cation hno+  
605 NOH Hydroxyimidogen noh  
606 NOH+ O-protonated nitric oxide noh+  
607 HNS Sulfur imide hns  
608 HNS- Sulfur imide anion hns-  
609 HO2 Hydroperoxy radical ho2  
610 HO2- Hydroperoxy anion ho2-  
611 HO2+ Hydroperoxy cation ho2+  
612 HSO+ Sulfur Monoxide, S-protonated HSO+  
613 SOH Sulfur Hydroxide soh  
614 SOH+ Sulfur Monoxide, protonated soh+  
615 HS2 Thiosulfeno radical hs2  
616 H2CO Formaldehyde h2co  
617 H2CO- formaldehyde anion h2co-  
618 H2CO+ formaldehyde cation h2co+  
619 HOCH hydroxycarbene hoch  
620 H2CS Thioformaldehyde h2cs  
621 H2CS- thioformaldehyde anion h2cs-  
622 H2CS+ thioformaldehyde cation h2cs+  
623 H2CSe Selenoformaldehyde h2cse  
624 H2NO nitroxide h2no  
625 H2O2 Hydrogen peroxide h2o2  
626 H2O2+ Hydrogen peroxide cation h2o2+  
627 H2OO water oxide h2oo  
628 HOSH hydrogen thioperoxide hosh  
629 H2S2 Disulfane h2s2  
630 H2S2+ hydrogen disulfide cation h2s2+  
631 H2Se2 hydrogen diselenide h2se2  
632 CH2OH Hydroxymethyl radical ch2oh  
633 CH2OH+ hydroxymethyl cation ch2oh+  
634 CH3O Methoxy radical ch3o  
635 CH3O- methoxy anion ch3o-  
636 CH3O+ Methoxy cation ch3o+  
637 CH3S thiomethoxy ch3s  
638 H2CSH+ Thioformaldehyde, protonated h2csh+  
639 NH2OH hydroxylamine nh2oh  
640 NH2OH+ Hydroxylamine cation nh2oh+  
641 NH3O Ammonia Oxide nh3o  
642 H2POH Phosphinous acid h2poh  
643 H3PO Phosphine oxide h3po  
644 NH2SH Thiohydroxylamine nh2sh  
645 NH3S sulfidoazane nh3s  
646 H3O2+ hydrogen peroxide, protonated h3o2+  
647 CH3OH Methyl alcohol ch3oh  
648 CH3OH- Methyl alcohol anion ch3oh-  
649 CH3OH+ Methyl alcohol cation ch3oh+  
650 CH3SH Methanethiol ch3sh  
651 CH3SH+ Methanethiol cation ch3sh+  
652 SiH3OH silanol sih3oh  
653 CH3SeH Methane selenol ch3seh  
654 NH2OH2+ protonated hydroxylamine nh2oh2+  
655 NH3OH+ N-protonated hydroxylamine nh3oh+  
656 CH3OH2+ Methanol, protonated ch3oh2+  
657 CH3SH2+ protonated methylsulfide ch3sh2+  
658 H5O2+ Dihydroxonium ion h5o2+  
659 LiF lithium fluoride lif  
660 LiCl lithium chloride licl  
661 LiCl- lithium chloride anion licl-  
662 LiCl+ lithium chloride cation licl+  
663 NaF sodium fluoride naf  
664 NaF- sodium fluoride anion naf-  
665 NaF+ sodium fluoride cation naf+  
666 KF Potassium Fluoride kf  
667 NaCl Sodium Chloride nacl  
668 NaCl- sodium chloride anion nacl-  
669 NaCl+ sodium chloride cation nacl+  
670 KCl Potassium Chloride kcl  
671 CuF Copper monofluoride cuf  
672 LiBr Lithium Bromide libr  
673 LiBr- lithium bromide anion libr-  
674 LiBr+ lithium bromide cation libr+  
675 CuCl Copper monochloride cucl  
676 NaBr Sodium Bromide nabr  
677 NaBr- sodium bromide anion nabr-  
678 NaBr+ sodium bromide cation nabr+  
679 KBr Potassium Bromide kbr  
680 LiI Lithium Iodide lii  
681 NaI Sodium Iodide nai  
682 KI Potassium Iodide ki  
683 LiF- lithium fluoride anion lif-  
684 LiF+ lithium fluoride cation lif+  
685 BeF Beryllium monofluoride bef  
686 BeF- Beryllium monofluoride anion bef-  
687 BeF+ Beryllium monofluoride cation bef+  
688 BeCl beryllium monochloride becl  
689 MgF Magnesium monofluoride mgf  
690 MgF- magnesium fluoride anion mgf-  
691 MgF+ magnesium fluoride cation mgf+  
692 CaF Calcium monofluoride caf  
693 MgCl magnesium monochloride mgcl  
694 MgCl- magnesium monochloride anion mgcl-  
695 MgCl+ magnesium monochloride cation mgcl+  
696 CaCl calcium monochloride cacl  
697 TiCl Titanium Monochloride ticl  
698 ZnF Zinc monofluoride znf  
699 ZnF- Zinc monofluoride anion znf-  
700 ZnF+ Zinc monofluoride cation znf+  
701 ZnCl Zinc monochloride zncl  
702 CaBr Calcium monobromide cabr  
703 BeCl- beryllium monochloride anion becl-  
704 BeCl+ beryllium monochloride cation becl+  
705 BF Boron monofluoride bf  
706 BF- Boron monofluoride anion bf-  
707 BF+ Boron monofluoride cation bf+  
708 AlF Aluminum monofluoride alf  
709 AlF- Aluminum monofluoride anion alf-  
710 AlF+ Aluminum monofluoride cation alf+  
711 BCl boron monochloride bcl  
712 BCl- boron monochloride anion bcl-  
713 BCl+ boron monochloride cation bcl+  
714 AlCl Aluminum monochloride alcl  
715 AlCl- aluminum monochloride anion alcl-  
716 AlCl+ aluminum monochloride cation alcl+  
717 ScF Scandium monofluoride scf  
718 BBr Boron monobromide bbr  
719 GaF Gallium monofluoride gaf  
720 GaF+ Gallium monofluoride cation gaf+  
721 AlBr Aluminum monobromide albr  
722 GaCl Gallium monochloride gacl  
723 GaCl+ Gallium monochloride cation gacl+  
724 AlI Aluminum monoiodide ali  
725 GaBr Gallium monobromide gabr  
726 CF Fluoromethylidyne cf  
727 CF- carbon monofluoride anion cf-  
728 CF+ carbon monofluoride cation cf+  
729 CCl carbon monochloride ccl  
730 CCl- carbon monochloride anion ccl-  
731 CCl+ carbon monochloride cation ccl+  
732 SiF silicon monofluoride sif  
733 SiF- silicon monofluoride anion sif-  
734 SiF+ silicon monofluoride cation sif+  
735 SiCl Clorosilylidyne sicl  
736 SiCl- silicon monochloride anion sicl-  
737 SiCl+ silicon monochloride cation sicl+  
738 CBr Carbon monobromide cbr  
739 GeF Germanium monofluoride gef  
740 GeF+ Germanium monofluoride cation gef+  
741 GeCl Germanium monochloride gecl  
742 GeCl+ Germanium monochloride cation gecl+  
743 SiBr Silicon monobromide sibr  
744 SiBr+ Silicon monobromide cation sibr+  
745 NF nitrogen fluoride nf  
746 NF- nitrogen monofluorine anion nf-  
747 NF+ nitrogen monofluoirde cation nf+  
748 NCl nitrogen monochloride ncl  
749 NCl- nitrogen monochloride anion ncl-  
750 NCl+ nitrogen monochloride cation ncl+  
751 PF phosphorus monofluoride pf  
752 PF- phosphorus monofluoride anion pf-  
753 PF+ phosphorus monofluoride cation pf+  
754 PCl phosphorus chloride pcl  
755 PCl- phosphorus monochloride anion pcl-  
756 PCl+ phosphorus monochloride cation pcl+  
757 AsF Arsenic monofluoride asf  
758 NBr nitrogen monobromide nbr  
759 AsCl Arsenic monochloride ascl  
760 PBr Phosphorus monobromide pbr  
761 SbF Antimony monofluoride sbf  
762 SbCl Antimony monochloride sbcl  
763 FO Oxygen monofluoride fo  
764 FO- flourine oxide anion fo-  
765 FO+ fluorine monoxide cation fo+  
766 ClO Monochlorine monoxide clo  
767 ClO- chlorine monoxide anion clo-  
768 ClO+ chlorine monoxide cation clo+  
769 SF Monosulfur monofluoride sf  
770 SF- sulfur monofluoride anion sf-  
771 SF+ sulfur monofluoride cation sf+  
772 SCl sulfur monochloride scl  
773 SCl- sulfur monochloride anion scl-  
774 SCl+ sulfur monochloride cation scl+  
775 BrO Bromine monoxide bro  
776 BrO- Bromine monoxide anion bro-  
777 BrO+ Bromine monoxide cation bro+  
778 SeF Selenium monofluoride sef  
779 SBr Sulfur monobromide radical sbr  
780 SBr+ Sulfur monobromide cation sbr+  
781 SeCl Selenium monochloride secl  
782 IO Iodine monoxide io  
783 SeBr Selenium monobromide sebr  
784 BrCl Bromine monochloride brcl  
785 F2 Fluorine diatomic f2  
786 F2- flourine diatomic anion f2-  
787 F2+ flourine diatomic cation f2+  
788 ClF Chlorine monofluoride clf  
789 ClF- clorine monofluoride anion clf-  
790 ClF+ clorine monofluoride cation clf+  
791 Cl2 Chlorine diatomic cl2  
792 Cl2- chlorine diatomic anion cl2-  
793 Cl2+ chlorine diatomic cation cl2+  
794 BrF Bromine monofluoride brf  
795 BrF- bromine fluoride anion brf-  
796 BrF+ bromine fluoride cation brf+  
797 BrCl- bromine chloride anion brcl-  
798 BrCl+ bromine chloride cation brcl+  
799 IF Iodine monofluoride if  
800 Br2 Bromine diatomic br2  
801 Br2- bromine diatomic anion br2-  
802 Br2+ bromine diatomic cation br2+  
803 ICl Iodine monochloride icl  
804 IBr Iodine monobromide ibr  
805 I2 Iodine diatomic i2  
806 I2+ Iodine diatomic cation i2+  
807 HCF Fluoromethylene hcf  
808 HCCl Chloromethylene hccl  
809 HSiF fluorosilylene hsif  
810 HSiCl Chlorosilylene hsicl  
811 HSiBr monobromosilylene hsibr  
812 CHBr bromomethylene chbr  
813 HOF Hypofluorous acid hfo  
814 DOCl Hypochlorous acid-d docl  
815 HOCl hypochlorous acid hocl  
816 HOCl+ hypochlorous acid cation hocl+  
817 HOBr Hypobromous acid hobr  
818 HOBr+ Hypobromous acid cation hobr+  
819 HOI Hypoiodous acid hoi  
820 F2H+ Fluorine, protonated f2h+  
821 FHF Hydrogen difluoride fhf  
822 FHF- Hydrogen difluoride anion fhf-  
823 ClFH+ Chlorine fluoride, F-protonated clfh+  
824 FClH+ Chlorine fluoride, Cl-protonated fclh+  
825 Cl2H+ Chlorine, protonated cl2h+  
826 CH2Br bromomethyl radical ch2br  
827 CH2F fluoromethyl radical ch2f  
828 CH2F+ fluoromethyl cation ch2f+  
829 CH2Cl+ chloromethyl cation ch2cl+  
830 CH2Cl chloromethyl radical ch2cl  
831 NH2F monofluoroamine nh2f  
832 NH2Cl chloramine nh2cl  
833 H2F2 Hydrogen fluoride dimer h2f2  
834 CH3F+ methyl fluoride cation ch3f+  
835 CD3F methylfluoride-d3 cd3f  
836 CH3F Methyl fluoride ch3f  
837 CD3Cl methyl chloride d3 cd3cl  
838 CH3Cl Methyl chloride ch3cl  
839 CH3Cl+ Methyl chloride cation ch3cl+  
840 SiH3F monofluorosilane sih3f  
841 SiH3Cl chlorosilane sih3cl  
842 CH3Br methyl bromide ch3br  
843 GeH3F monofluorogermane geh3f  
844 GeH3Cl monochlorogermane geh3cl  
845 SiH3Br bromosilane sih3br  
846 CH3I methyl iodide ch3i  
847 SiH3I Silyl Iodide sih3i  
848 NH3Cl+ protonated monochloroammonia nh3cl+  
849 CH3ClH+ methyl chloride, protonated ch3clh+  
850 NH4Cl Ammonium chloride nh4cl  
851 LiNe+ Lithium Neon cation line+  
852 Ne2 Neon diatomic ne2  
853 Ne2+ Neon diatomic cation ne2+  
854 Ar2 Argon diatomic ar2  
855 Ar2+ Argon diatomic cation ar2+  
856 Li3 Lithium trimer li3  
857 Li3+ Lithium trimer cation li3+  
858 C3 carbon trimer c3  
859 C3+ carbon trimer cation c3+  
860 SiC2 Silicon dicarbide sic2  
861 C3H3 cyclopropenyl radical cpr  
862 C3H3 Propargyl radical propargyl  
863 C3H3- Propargyl anion c3h3-  
864 C3H3+ cyclopropenyl cation cpr+  
865 C3H3+ Propargyl cation c3h3+  
866 C3H4 cyclopropene cprop  
867 CH2CCH2 allene allene  
868 CH3CCH propyne propyne  
869 C3H5 Allyl radical allyl  
870 C3H5+ Allyl cation allyl+  
871 CH3CHCH 1-propenyl radical ch3chch  
872 Zn(CH3)2 dimethyl zinc dmz  
873 C3H6 Cyclopropane c3h6  
874 CH2CHCH3 Propene propene  
875 C3H7 n-Propyl radical npropyl  
876 C3H7+ cyclopropane, protonated c3h7+  
877 CH3CHCH3 Isopropyl radical isopropyl  
878 CH3CHCH3+ Isopropyl cation prop2yl+  
879 C3H8 Propane propane  
880 SiH2(CH3)2 dimethylsilane dms  
881 Si3H8 trisilane si3h8  
882 LiCN lithium cyanide licn  
883 NaCN Sodium Cyanide nacn  
884 KCN Potassium cyanide kcn  
885 CuCN Copper cyanide cucn  
886 ZnCN Zinc monocyanide zncn  
887 ZnNC Zinc isocyanide znnc  
888 AlCN Aluminum monocyanide alcn  
889 AlNC Aluminum isocyanide alnc  
890 CN2 3H-Diazirin-3-ylidene cn2  
891 CNN Diazocarbene cnn  
892 NCN Cyanoimidogen ncn  
893 N3 azide radical n3  
894 N3- azide anion n3-  
895 N3+ azide cation n3+  
896 HCCN cyanomethylene hccn  
897 HCNN diazomethyl radical hcnn  
898 HN3 hydrogen azide hn3  
899 HN3+ Hydrazoic acid cation hn3+  
900 HNCNH diiminomethane hncnh  
901 CH2N2 diazirine ch2n2  
902 CH2NN diazomethane ch2nn  
903 NH2CN cyanamide cyanamide  
904 HNNNH+ 1,2-Triazadienium n2h3+  
905 NH2NN+ hydrazoic acid, protonated nh2nn+  
906 CH3CN Acetonitrile ch3cn  
907 CH3CN- acetonitrile anion ch3cn-  
908 CH3CN+ Acetonitrile cation ch3cn+  
909 CH3NC methyl isocyanide ch3nc  
910 CHNCH2 2H-Azirine c157164  
911 CHNHCH 1H-Azirine chnhch  
912 H2CCNH Ethenimine ch2cnh  
913 H2CNCH methyleneaminomethylene ch2nch  
914 HCCNH2 Ethynamine hccnh2  
915 HCNCH2+ 2H-Azirine cation hcnch2+  
916 HNCNH2+ diiminomethane, protonated hncnh2+  
917 NCNH3+ Cyanamide, protonated ncnh3+  
918 NH2CNH+ cyanamide, cn protonated nh2cnh+  
919 NH3CN+ cyanamide, amine protonated nh3cn+  
920 CH2CHNH vinylazine ch2chnh  
921 CH3CHN methylmethaniminyl radical ch3chn  
922 NHCHNH2 aminomethanimine cn2h4  
923 C2H5N Aziridine c2h5n  
924 CH2CHNH2 aminoethene aminoethene  
925 CH2NCH3 N-methylmethanimine nmm  
926 CH3CHNH ethanimine ethanimine  
927 NH2BHNH2 diaminoborane nh2bhnh2  
928 C2H5NH+ Protonated Aziridine c2h5nh+  
929 C2H6N+ aziridine, protonated c2h6n+  
930 NH2CH2NH2 diaminomethane nh2ch2nh2  
931 CH3CH2NH2 Ethylamine etam  
932 CH3NHCH3 Dimethylamine ch3nhch3  
933 CH3PHCH3 dimethylphosphine ch3phch3  
934 NH2CH2NH3+ diaminoethane, protonated pdam  
935 (CH3)2NH2+ dimethylammonium cation dmam  
936 CH3CH2NH3+ ethylamine, protonated pea  
937 Li2O dilithium oxide li2o  
938 Li2O+ dilithium oxide cation li2o+  
939 Li2S dilithium sulfide li2s  
940 Na2O disodium monoxide na2o  
941 Na2S Sodium sulfide na2s  
942 LiO2 Lithium dioxide lio2  
943 NaO2 Sodium superoxide nao2  
944 CCO Dicarbon monoxide cco  
945 CNO- fulminate cno-  
946 NCO isocyanato radical nco  
947 NCO- cyanate nco-  
948 SCN thiocyanato radical scn  
949 SCN- thiocyanide anion scn-  
950 BO2 Boron dioxide bo2  
951 BO2- Boron dioxide anion bo2-  
952 BO2+ Boron dioxide cation bo2+  
953 N2O Nitrous oxide n2o  
954 N2O- Nitrous oxide anion n2o-  
955 N2O+ Nitrous oxide cation n2o+  
956 NNS Nitrogen sulfide nns  
957 PPO Phosphorus oxide phosphide ppo  
958 CO2 Carbon dioxide co2  
959 CO2- Carbon dioxide anion co2-  
960 CO2+ Carbon dioxide cation co2+  
961 OCS Carbonyl sulfide cos  
962 OCS+ Carbonyl sulfide cation cos+  
963 SiO2 silicon dioxide sio2  
964 CS2 Carbon disulfide cs2  
965 CS2- Carbon disulfide anion cs2-  
966 CS2+ Carbon disulfide cation cs2+  
967 TiO2 Titanium dioxide tio2  
968 SiS2 Silicon disulfide sis2  
969 GeO2 Germanium dioxide geo2  
970 OCSe Carbonyl selenide ocse  
971 SCSe Carbon sulfide selenide scse  
972 GeS2 Germanium disulfide ges2  
973 CSe2 Carbon diselenide cse2  
974 SCTe Carbon sulfide Telluride scte  
975 NO2 Nitrogen dioxide no2  
976 NO2- Nitrogen dioxide anion no2-  
977 NO2+ Nitrogen dioxide cation no2+  
978 NSO sulfinyl amidogen NSO  
979 PO2 Phosphorus dioxide po2  
980 PO2- Phosphorus dioxide anion po2-  
981 PO2+ Phosphorus dioxide cation po2+  
982 SNO Nitrogen oxide sulfide sno  
983 AsO2 Aresenic dioxide aso2  
984 O3 Ozone o3  
985 O3- Ozone anion o3-  
986 O3+ Ozone cation o3+  
987 SO2 Sulfur dioxide so2  
988 SO2- Sulfur dioxide anion so2-  
989 SO2+ Sulfur dioxide cation so2+  
990 SSO Disulfur monoxide sso  
991 S3 Sulfur trimer s3  
992 S3- Sulfur trimer anion s3-  
993 S3+ Sulfur trimer cation s3+  
994 SeO2 Selenium dioxide seo2  
995 SeO2+ Selenium dioxide cation seo2+  
996 TeO2 Tellurium Dioxide teo2  
997 HCCO ketenyl radical ketenyl  
998 CS2H+ Carbon disulfide, protonated cs2h+  
999 HCNO fulminic acid hcno  
1000 HNCO Isocyanic acid hnco  
1001 HOCN cyanic acid hocn  
1002 HNCS Isothiocyanic acid hncs  
1003 HSCN thiocyanic acid hscn  
1004 HCO2- formate anion hco2-  
1005 HNNO nitrosoazane hnno  
1006 HNNO+ Nitrous oxide, N-protonated hnno+  
1007 NNOH+ Nitrous Oxide, O-protonated nnoh+  
1008 HCOO formate neutral radical hcoo  
1009 HOCO Hydrocarboxyl radical hoco  
1010 HOCO+ Hydrocarboxyl cation hoco+  
1011 HNO2 Nitrous acid hno2  
1012 HNO2+ nitrous acid cation hno2+  
1013 O3H+ protonated ozone o3h+  
1014 SO2H+ protonated sulfur dioxide so2h+  
1015 C2H2O Oxirene oxirene  
1016 CH2CO Ketene ch2co  
1017 CH2CO+ Ketene cation ch2co+  
1018 HCCOH ethynol hccoh  
1019 CH2CS Thioketene ch2cs  
1020 Be(OH)2 Beryllium hydroxide beo2h2  
1021 Mg(OH)2 Magnesium dihydroxide h2mgo2  
1022 NH2NO Nitrosamide nh2no  
1023 CH2O2 Dioxirane diox  
1024 H2COO Dioxymethyl radical h2coo  
1025 H2COO+ dioxymethyl cation h2coo+  
1026 HCOOH Formic acid ch2o2  
1027 H2O3 Hydrogen trioxide h2o3  
1028 HSSSH trisulfane hsssh  
1029 NaOCH3 Sodium methoxide naoch3  
1030 CH2BOH hydroxy(methylene)borane ch2boh  
1031 BH3CO Borane carbonyl bh3co  
1032 CH3BO Borane, methyloxo- ch3bo  
1033 CH2CHO Vinyloxy radical ch2cho  
1034 CH2COH+ ketene, protonated ch2coh+  
1035 CH3CO Acetyl radical ch3co  
1036 CH3CO- Acetyl anion ch3co-  
1037 CH3CO+ acetyl cation ch3co+  
1038 CH2NOH formaldoxime ch2noh  
1039 CH3NO nitrosomethane ch3no  
1040 CHONH2 formamide formamide  
1041 CNOH3 1,2-oxaziridine cnoh3  
1042 HOCHNH hydroxymethylimine hochnh  
1043 CHSNH2 thioformamide chsnh2  
1044 NHCHSH Methanimidothioic acid nhchsh  
1045 CH2OOH CH2OOH radical ch2ooh  
1046 CH3OO methylperoxy radical ch3oo  
1047 CH3OO- methylperoxy anion ch3oo-  
1048 CH3OO+ methylperoxy cation ch3oo+  
1049 C2H4O Ethylene oxide c2h4o  
1050 C2H4O+ ethylene oxide cation c2h4o+  
1051 CH2CHOH ethenol ch2choh  
1052 CH3CHO Acetaldehyde ch3cho  
1053 CH3CHO+ acetaldehyde cation ch3cho+  
1054 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
1055 C2H4S Thiirane thiirane  
1056 CH2CHSH Ethenethiol ch2chsh  
1057 CH3CHS Thioacetaldehyde ch3chs  
1058 H2CONH2+ protonated formamide h2conh2+  
1059 NH2CHOH+ Formamide, O-protonated nh2choh+  
1060 NH3CHO+ Formamide, N-Protonated nh3cho+  
1061 CH2(OH)2 methanediol ch2o2h2  
1062 CH3OOH Methyl peroxide ch3ooh  
1063 CH3SSH Hydrogen methyl disulfide ch3ssh  
1064 HSCH2SH Methanedithiol ch4s2  
1065 C2H4OH+ ethylene oxide, protonated c2h4oh+  
1066 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1067 CH3CH2O Ethoxy radical ethoxy  
1068 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1069 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1070 CH3OCH2 methoxymethyl radical ch3och2  
1071 NH2CH2OH aminomethanol nh2ch2oh  
1072 CH3CH2OH Ethanol etoh  
1073 CH3OCH3 Dimethyl ether meome  
1074 CH3CH2SH ethanethiol etsh  
1075 CH3SCH3 Dimethyl sulfide mesme  
1076 CH3SCH3+ dimethyl sulfide cation mesme+  
1077 CH3SeCH3 dimethylselenide dmse  
1078 CH3OHH2O methanol water dimer ch3ohh2o  
1079 H2OCH3OH water methanol dimer h2och3oh  
1080 CuF2 Copper difluoride cuf2  
1081 ZnF2 Zinc difluoride znf2  
1082 CNF iso cyanogen fluoride cnf  
1083 FCN Cyanogen fluoride fcn  
1084 ClCN chlorocyanogen clcn  
1085 BrCN Cyanogen bromide brcn  
1086 ICN Cyanogen iodide icn  
1087 FBO Boron monofluoride monoxide fbo  
1088 BeF2 Beryllium fluoride bef2  
1089 MgF2 Magnesium fluoride mgf2  
1090 BeCl2 Beryllium chloride becl2  
1091 MgCl2 Magnesium dichloride mgcl2  
1092 CaCl2 Calcium Chloride cacl2  
1093 ZnCl2 Zinc dichloride zncl2  
1094 BeBr2 Beryllium bromide bebr2  
1095 CaBr2 Calcium dibromide cabr2  
1096 CaF2 Calcium difluoride caf2  
1097 FCO Carbonyl fluoride fco  
1098 FCO+ Carbonyl fluoride cation fco+  
1099 ClCO carbonyl monochloride clco  
1100 BF2 Boron difluoride radical bf2  
1101 FNO Nitrosyl fluoride fno  
1102 ClNO Nitrosyl chloride clno  
1103 FNS Thionitrosyl fluoride fns  
1104 FSN Thiazyl fluoride fsn  
1105 OPCl Phosphorus oxychloride opcl  
1106 BrNO Nitrosyl bromide brno  
1107 INO Nitrosyl iodide ino  
1108 CF2 Difluoromethylene cf2  
1109 CF2- Difluoromethylene anion cf2-  
1110 CF2+ Difluoromethylene cation cf2+  
1111 CFCl chlorofluoromethylene cfcl  
1112 SiF2 Silicon difluoride sif2  
1113 SiF2+ Silicon difluoride cation sif2+  
1114 CCl2 dichloromethylene ccl2  
1115 CCl2- dichloromethylene anion ccl2-  
1116 CCl2+ dichloromethylene cation ccl2+  
1117 SiCl2 Dichlorosilylene sicl2  
1118 GeF2 Germanium difluoride gef2  
1119 GeCl2 Germanium dichloride gecl2  
1120 CBr2 dibromomethylene cbr2  
1121 FOO Dioxygen monofluoride radical foo  
1122 FOO+ Fluorine dioxide cation foo+  
1123 ClOO chloroperoxy radical cloo  
1124 ClOO+ chloroperoxy cation cloo+  
1125 OClO Chlorine dioxide oclo  
1126 OClO- Chlorine dioxide anion oclo-  
1127 OClO+ Chlorine dioxide cation oclo+  
1128 ClSO Sulfur chloride oxide clso  
1129 ClS2 Sulfur chloride cls2  
1130 BrOO Bromine dioxide broo  
1131 OBrO Bromine dioxide radical obro  
1132 NF2 Difluoroamino radical nf2  
1133 NF2+ Difluoroamino cation nf2+  
1134 PF2 Phosphorus difluoride pf2  
1135 PF2+ Phosphorus difluoride cation pf2+  
1136 FClO chlorosyl fluoride fclo  
1137 F2O Difluorine monoxide f2o  
1138 ClOF Chlorine hypofluorite clof  
1139 SF2 sulfur difluoride sf2  
1140 SF2- sulfur difluoride anion sf2-  
1141 SF2+ sulfur difluoride cation sf2+  
1142 Cl2O Dichlorine monoxide cl2o  
1143 SCl2 Sulfur dichloride scl2  
1144 SeF2 Selenium difluoride sef2  
1145 BrOCl Bromine hypochlorite brocl  
1146 SeCl2 Selenium Dichloride secl2  
1147 SBr2 Sulfur dibromide sbr2  
1148 SeBr2 Selenium dibromide sebr2  
1149 BrOBr Bromine oxide brobr  
1150 F3- trifluoride anion f3-  
1151 Cl3- trichloride anion cl3-  
1152 Br3- tribromide anion br3-  
1153 I3- triiodide i3-  
1154 SFCl Sulfur chloride fluoride sfcl  
1155 HCCF Fluoroacetylene hccf  
1156 HCCF+ fluoroacetylene cation hccf+  
1157 HCCCl Chloroacetylene hcccl  
1158 HCCBr bromoacetylene hccbr  
1159 HFCO formyl fluoride hfco  
1160 HFCO+ formyl fluoride cation hfco+  
1161 COHCl Formyl chloride cohcl  
1162 COHBr Formyl bromide cohbr  
1163 BHF2 Difluoroborane bhf2  
1164 BHCl2 Borane, dichloro- bhcl2  
1165 CHCl2 dichloromethyl radical chcl2  
1166 CHF2 difluoromethyl radical chf2  
1167 CHF2+ difluoromethyl cation chf2+  
1168 CHFCl Chlorofluoromethyl radical chfcl  
1169 CHFCl+ Chlorofluoromethyl cation chfcl+  
1170 CHCl2+ dichloromethyl cation chcl2+  
1171 CHBr2 dibromomethyl radical chbr2  
1172 HOClO Chlorous acid hoclo  
1173 NHF2 difluoramine nhf2  
1174 NHCl2 dichloroamine nhcl2  
1175 CH2F2 Methane, difluoro- ch2f2  
1176 CH2FCl fluorochloromethane ch2fcl  
1177 SiH2F2 difluorosilane sih2f2  
1178 CH2Cl2 Methylene chloride ch2cl2  
1179 CH2BrF Methane, bromofluoro- ch2fbr  
1180 CH2BrCl Methane, bromochloro- ch2clbr  
1181 CH2FI fluoroiodomethane ch2fi  
1182 CH2Br2 dibromomethane ch2br2  
1183 CH2ClI chloroiodomethane ch2cli  
1184 CH2BrI bromoiodomethane ch2bri  
1185 CH2I2 Diiodomethane ch2i2  
1186 SiH2Cl2 dichlorosilane sih2cl2  
1187 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1188 CH2CHF Ethene, fluoro- ch2chf  
1189 CH2CHF+ fluoroethene cation ch2chf+  
1190 C2H3Cl Ethene, chloro- ch2chcl  
1191 C2H3Br vinyl bromide c2h3br  
1192 C2H3I Vinyl iodide c2h3i  
1193 CH2FOH fluoromethanol ch2foh  
1194 CH3OCl methyl hypochlorite ch3ocl  
1195 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1196 CHClCH3 1-chloroethyl radical chclch3  
1197 C2H5F fluoroethane c2h5f  
1198 CH3CH2Cl Ethyl chloride c2h5cl  
1199 CH3SiFH2 fluoromethylsilane ch3sifh2  
1200 C2H5Br Ethyl bromide etbr  
1201 C2H5I Ethyl iodide c2h5i  
1202 KrF2 Krypton difluoride krf2  
1203 XeF2 Xenon difluoride xef2  
1204 B4H10 Tetraborane(10) b4h10  
1205 C4 Carbon tetramer c4  
1206 C4+ Carbon tetramer cation c4+  
1207 C4H2 Diacetylene c4h2  
1208 C4H2+ diacetlyene cation c4h2+  
1209 C2H3CCH 1-Buten-3-yne c2h3cch  
1210 C4H4 cyclobutadiene cbd  
1211 C4H4 Tetrahedrane c4h4  
1212 H2CCCCH2 Butatriene h2cccch2  
1213 C4H6 1-Methylcyclopropene c3100047  
1214 C4H6 Cyclobutene c822355  
1215 C4H6 Methylenecyclopropane c6142730  
1216 CH2CCHCH3 1,2-Butadiene butad12  
1217 CH2CHCHCH2 1,3-Butadiene c106990  
1218 CH3CCCH3 2-Butyne c503173  
1219 CHCCH2CH3 1-Butyne c107006  
1220 CH3CHCHCH2 methylallyl radical c4h7  
1221 C4H8 methylcyclopropane mcp  
1222 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1223 CH2CHCH2CH3 1-Butene bute1  
1224 CH3CHCHCH3 2-Butene, (E)- bute2e  
1225 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1226 B(CH3)3 trimethylborane bme3  
1227 Al(CH3)3 trimethyl aluminum tma  
1228 C(CH3)3 Tert-butyl radical tbutyl  
1229 CH2CH(CH3)2 Isobutyl radical isobutyl  
1230 CH3CHCH2CH3 2-Butyl radical butyl2  
1231 CH3CH(CH3)CH3 Isobutane isobutane  
1232 CH3CH2CH2CH3 Butane butane  
1233 SiH(CH3)3 trimethylsilane trimsi  
1234 Li3N trilithium nitride li3n  
1235 C2N2 Cyanogen c2n2  
1236 C2N2+ Cyanogen cation c2n2+  
1237 P4 Phosphorus tetramer p4  
1238 As4 Arsenic tetramer as4  
1239 HCCCN Cyanoacetylene hcccn  
1240 HCCCN+ Cyanoacetylene cation hcccn+  
1241 H2CNCN cyanamide, methylene ch2ncn  
1242 HNCCNH Ethenediimine hnccnh  
1243 C3H3N acrylonitrile ch2chcn  
1244 C3H3N+ acrylonitrile cation ch2chcn+  
1245 CH3N3 methyl azide ch3n3  
1246 NH2CCNH2 Diaminoacetylene daa  
1247 NH2CH2CN Aminoacetonitrile aan  
1248 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1249 C2H5CN ethyl cyanide c2h5cn  
1250 CH5N3 Guanidine guanidine  
1251 C4H6 Bicyclo[1.1.0]butane c157335  
1252 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1253 H2NCHCHNH2 diaminoethylene dae  
1254 CH6N3+ guanidinium ch6n3+  
1255 C3H7N Cyclopropylamine cpram  
1256 CH7N3 triaminomethane tam  
1257 C3H7N Azetidine azet  
1258 C4H8 cyclobutane cbutane  
1259 C2H8N2 Ethylenediamine ethdiam  
1260 CH3NHNHCH3 dimethyl hydrazine dmh  
1261 CH3CH(NH2)CH3 2-Propanamine pram2  
1262 N(CH3)3 Trimethylamine trimeam  
1263 NH2CH2CH2CH3 1-Propanamine pram1  
1264 P(CH3)3 trimethylphosphine tmp  
1265 N(SiH3)3 trisilylamine tsa  
1266 As(CH3)3 trimethyl arsine tmas  
1267 (CH3)3NH+ protonated trimethyl amine ptma  
1268 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1269 Li2O2 dilithium dioxide li2o2  
1270 Na2O2 disodium dioxide na2o2  
1271 K2O2 dipotassium dioxide k2o2  
1272 C3O Tricarbon monoxide c3o  
1273 B2O2 Diboron dioxide b2o2  
1274 ONNO NO dimer onno  
1275 S2N2 Disulfur dinitride s2n2  
1276 CO3 Carbon trioxide co3  
1277 CO3-- carbonate co3--  
1278 CS3-- Carbonotrithioate cs3--  
1279 NO3 Nitrogen trioxide no3  
1280 NO3- nitrate anion no3-  
1281 NO3+ nitrogen trioxide cation no3+  
1282 SO3 Sulfur trioxide so3  
1283 SO3- Sulfur trioxide anion so3-  
1284 SO3-- Sulfate dianion so3--  
1285 SO3+ Sulfur trioxide cation so3+  
1286 SeO3 selenium trioxide seo3  
1287 S4 Sulfur tetramer s4  
1288 TeO3 Tellurium trioxide teo3  
1289 HCO3- bicarbonate anion hco3-  
1290 HNO3 Nitric acid hno3  
1291 HSO3 Hydroxysulfonyl radical hso3  
1292 NH2NO2 nitramide nh2no2  
1293 C2H2CO cyclopropenone c2h2co  
1294 C3H2O Propadienal c3h2o  
1295 HCCCHO 2-propynal hcccho  
1296 C2H2O2 Ethanedial c2h2o2  
1297 C2H2O2+ Ethanedial cation c2h2o2+  
1298 H2CO3 Carbonic acid h2co3  
1299 H2CS3 thiocarbonic acid h2cs3  
1300 H2NO3+ Nitric Acid, Protonated h2no3+  
1301 H2SO3 Sulfurous acid h2so3  
1302 C2H3NO Nitrosoethylene c2h3no  
1303 CH3NCO methylisocyante ch3nco  
1304 HOCH2CN cyanomethanol hoch2cn  
1305 CH3COO- acetate anion ch3coo-  
1306 CH3NO2 Methane, nitro- ch3no2  
1307 CH3ONO Methyl nitrite ch3ono  
1308 NH2COOH Carbamic acid nh2cooh  
1309 H3BO3 Boric acid h3bo3  
1310 H3AlO3 Aluminum hydroxide h3alo3  
1311 H3CO3+ carbonic acid, protonated h3co3+  
1312 C3H4O 2-Propyn-1-ol c107197  
1313 C3H4O allenol c9000071  
1314 C3H4O Cyclopropanone cpone  
1315 C3H4O Methylketene c6004440  
1316 CH2CHCHO Acrolein c3h4o  
1317 NH2CONH2 Urea urea  
1318 NH2CONH2+ Urea cation urea+  
1319 NH2CSNH2 Thiourea thiourea  
1320 C2H4O2 1,3-dioxetane c2h4o2  
1321 CH3COOH Acetic acid ch3cooh  
1322 CH3OCHO methyl formate ch3ocho  
1323 CHOCH2OH hydroxy acetaldehyde haa  
1324 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1325 NH3COOH+ protonated Carbamic acid nh3cooh+  
1326 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1327 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1328 HCOOHH2O Formic acid water dimer hcoohh2o  
1329 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1330 CH3COCH2 Acetonyl radical ch3coch2  
1331 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1332 CH3C(OH)=NH Ethaninidic acid eia  
1333 CH3CHNOH Acetaldoxime acetaldoxime  
1334 CH3CONH2 Acetamide acetamide  
1335 HCONHCH3 N-methylformamide nmfa  
1336 CH3CSNH2 Ethanethioamide ch3csnh2  
1337 CH5N2O+ urea, N-protonated ch4n2o+  
1338 H2NCOHNH2+ urea, protonated ureah+  
1339 C2H5OO ethylperoxy radical c2h5oo  
1340 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1341 C3H5OH Cyclopropanol cproh  
1342 C3H6O 2-Propen-1-ol c107186  
1343 C3H6O Acetone enol enol  
1344 C3H6O Oxetane oxetane  
1345 C3H6O Propylene oxide prox  
1346 CH3CH2CHO Propanal propanal  
1347 CH3COCH3 Acetone acetone  
1348 CH3COCH3- acetone anion ch3coch3-  
1349 C3H6S Thietane thietane  
1350 C3H6S Thiirane, methyl- methiirane  
1351 CH3CSCH3 Thioacetone ch3csch3  
1352 C2H6O2 1,2-Ethanediol ethdiol  
1353 CH3OOCH3 dimethylperoxide dmp  
1354 CH3SOCH3 Dimethyl sulfoxide dmso  
1355 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1356 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1357 CH3COHCH3+ acetone, protonated acetoneh+  
1358 HOCH2CH2NH2 monoethanolamine mea  
1359 C3H7OH 1-Propanol proh  
1360 CH3CHOHCH3 Isopropyl alcohol isoproh  
1361 CH3OC2H5 Ethane, methoxy- etome  
1362 C3H7SH 1-Propanethiol prsh  
1363 CH3CHSHCH3 2-Propanethiol isoprsh  
1364 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1365 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1366 Li2F2 Lithium fluoride dimer li2f2  
1367 Na2F2 Sodium Fluoride Dimer na2f2  
1368 Na2Cl2 Disodium dichloride na2cl2  
1369 C2F2 difluoroacetylene c2f2  
1370 C2Cl2 dichloroacetylene c2cl2  
1371 C2Cl2+ dichloroacetylene cation c2cl2+  
1372 FNO2 Nitryl fluoride fno2  
1373 FONO Nitrosyl hypofluorite fono  
1374 ClNO2 Nitryl chloride clno2  
1375 ClONO chlorine nitrite clono  
1376 BrONO Bromine nitrite brono  
1377 N2F2 (Z)-Difluorodiazene n2f2_z  
1378 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1379 CF2O Carbonic difluoride f2co  
1380 CF2O+ Carbonic difluoride cation f2co+  
1381 COFCl Carbonic chloride fluoride cofcl  
1382 CCl2O Phosgene cl2co  
1383 Cl2CS Thiophosgene cl2cs  
1384 COBr2 Carbonic dibromide cobr2  
1385 BF3 Borane, trifluoro- bf3  
1386 BF3- Borane, trifluoro- anion bf3-  
1387 BF3+ boron trifluoride cation bf3+  
1388 AlF3 Aluminum trifluoride alf3  
1389 BClF2 Chlorodifluoroborane bclf2  
1390 AlF2Cl Aluminum chloride difluoride alclf2  
1391 ScF3 Scandium trifluoride ScF3  
1392 AlFCl2 Aluminum dichloride fluoride alcl2f  
1393 BCl3 Borane, trichloro- bcl3  
1394 BCl3+ Boron Trichloride cation bcl3+  
1395 GaF3 Gallium trifluoride gaf3  
1396 AlCl3 Aluminum trichloride alcl3  
1397 GaCl3 Gallium trichloride gacl3  
1398 BBr3 Boron tribromide bbr3  
1399 AlBr3 Aluminum Bromide albr3  
1400 ClO3 Chlorine trioxide clo3  
1401 ClO3- chlorate anion clo3-  
1402 BrO3- Bromate anion bro3-  
1403 CF3 Trifluoromethyl radical cf3  
1404 CF3- Trifluoromethyl anion cf3-  
1405 CF3+ Trifluoromethyl cation cf3+  
1406 CF2Cl difluorochloromethyl radical cf2cl  
1407 SiF3 Silicon trifluoride radical sif3  
1408 SiF3+ Silicon trifluoride cation sif3+  
1409 CFCl2 dichlorofluoromethyl radical cfcl2  
1410 CCl3 Trichloromethyl radical ccl3  
1411 CCl3- Trichloromethyl anion ccl3-  
1412 CCl3+ Trichloromethyl cation ccl3+  
1413 SiCl3 trichlorosilyl radical sicl3  
1414 SiCl3+ trichlorosilyl cation sicl3+  
1415 CBr3 tribromomethyl radical cbr3  
1416 FOOF Perfluoroperoxide foof  
1417 ClO2F Chloryl fluoride clo2f  
1418 F2SO Thionyl Fluoride f2so  
1419 ClOOCl Dichlorine dioxide cloocl  
1420 FSSF Difluorodisulfane fssf  
1421 S2F2 Thio-thionyl fluoride s2f2  
1422 SOCl2 thionyl chloride socl2  
1423 SSCl2 Thiothionyl chloride sscl2  
1424 SeOCl2 selenium oxychloride seocl2  
1425 NF3 Nitrogen trifluoride nf3  
1426 NF3- Nitrogen trifluoride anion nf3-  
1427 NF3+ Nitrogen trifluoride cation nf3+  
1428 PF3 Phosphorus trifluoride pf3  
1429 NCl3 nitrogen trichloride ncl3  
1430 AsF3 Arsenic trifluoride asf3  
1431 PCl3 Phosphorus trichloride pcl3  
1432 SbF3 Antimony Trifluoride sbf3  
1433 AsCl3 Arsenous trichloride ascl3  
1434 SbCl3 Antimony Trichloride sbcl3  
1435 NBr3 Nitrogen Tribromide nbr3  
1436 PBr3 Phosphorus tribromide pbr3  
1437 AsBr3 Arsenic tribromide asbr3  
1438 NI3 Nitrogen triiodide ni3  
1439 PI3 Phosphorus triiodide pi3  
1440 ClSSCl Disulfur dichloride s2cl2  
1441 SF3 Sulfur trifluoride sf3  
1442 ClF3 Chlorine trifluoride clf3  
1443 BrF3 Bromine trifluoride brf3  
1444 IF3 iodone trifluoride if3  
1445 HClO3 Chloric Acid hclo3  
1446 CHF3 Methane, trifluoro- chf3  
1447 CHF2Cl difluorochloromethane chf2cl  
1448 SiHF3 trifluorosilane sihf3  
1449 CHFCl2 fluorodichloromethane chfcl2  
1450 CDCl3 trichloromethane-d cdcl3  
1451 CHCl3 Chloroform chcl3  
1452 CHBrF2 Methane, bromodifluoro- chbrf2  
1453 SiHCl3 Trichlorosilane sihcl3  
1454 CHFClBr fluorochlorobromomethane chfclbr  
1455 CHBrCl2 Methane, bromodichloro- chbrcl2  
1456 CHF2I difluoroiodomethane chf2i  
1457 CHBr2F dibromofluoromethane chbr2f  
1458 CHFClI fluorochloroiodomethane chfcli  
1459 CHCl2I dichloroiodomethane chcl2i  
1460 CHClBr2 Methane, dibromochloro- chclbr2  
1461 CHBr3 bromoform chbr3  
1462 CHI3 Iodoform chi3  
1463 NF3H+ protonated nitrogen trifluoride nf3h+  
1464 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1465 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1466 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1467 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1468 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1469 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1470 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1471 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1472 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1473 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1474 C2H2Br2 1,1-dibromoethene c2h2br2  
1475 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1476 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1477 CH2FCHO Fluoroacetaldehyde ch2fcho  
1478 CH3COF Acetyl fluoride ch3cof  
1479 CH2ClCHO chloroacetaldehyde ch2clcho  
1480 CH3COCl Acetyl Chloride ch3cocl  
1481 C2H4F2 1,2-difluoroethane c2h4f2  
1482 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1483 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1484 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1485 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1486 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1487 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1488 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1489 CH2CFCH3 2-fluoropropene 2fpro  
1490 CH2CHCH2F Allyl Fluoride allylf  
1491 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1492 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1493 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1494 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1495 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1496 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1497 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1498 CH2FCH2CH3 1-Fluoropropane prf1  
1499 CH3CHFCH3 2-Fluoropropane prf2  
1500 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1501 CH3CHClCH3 Propane, 2-chloro- prcl2  
1502 CH3CH2CH2Br n-propyl bromide prbr  
1503 CH3CHBrCH3 i-propyl bromide iprbr  
1504 C3H9O+ trimethyl oxonium cation c3h9o+  
1505 B5H9 pentaborane9 b5h9  
1506 C5H4 pentatetraene ptrene  
1507 C5H5 cyclopentadienyl radical c5h5  
1508 C5H5- cylopentadienyl anion c5h5-  
1509 C5H6 1,3-Cyclopentadiene c542927  
1510 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1511 C5H6 3-Penten-1-yne, (E)- c2004695  
1512 C5H6 3-Penten-1-yne, (Z)- c1574409  
1513 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1514 C5H6 Cyclopropylacetylene c6746947  
1515 C5H6 Propellane propellane  
1516 C5H7 1,3-pentadienyl radical pdyl  
1517 C5H7 cyclopentenyl radical cpyl  
1518 C5H8 1,2-Butadiene, 3-methyl- c598254  
1519 C5H8 1,2-Pentadiene c591957  
1520 C5H8 1,3-Butadiene, 2-methyl- c78795  
1521 C5H8 1,3-Pentadiene, (E)- c2004708  
1522 C5H8 1,3-Pentadiene, (Z)- c1574410  
1523 C5H8 1,4-Pentadiene c591935  
1524 C5H8 1-pentyne a1pentyne  
1525 C5H8 2,3-Pentadiene c591968  
1526 C5H8 Bicyclo[1.1.1]pentane bcp  
1527 C5H8 Cyclobutane, methylene- c1120565  
1528 C5H8 Cyclopentene c142290  
1529 C5H8 Ethenylcyclopropane c693867  
1530 CH3CCCH2CH3 2-Pentyne 2pentyne  
1531 C5H10 1-Butene, 2-methyl- c563462  
1532 C5H10 2-Butene, 2-methyl- c513359  
1533 C5H10 2-Pentene, (E)- c646048  
1534 C5H10 2-Pentene, (Z)- c627203  
1535 C5H10 Cyclopentane c287923  
1536 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1537 CH2CHCH2CH2CH3 1-pentene pentene  
1538 C5H11 2-Methylbut-2-yl radical c4348350  
1539 C5H12 Butane, 2-methyl- buta2  
1540 C5H12 Pentane pentane  
1541 C5H12 Propane, 2,2-dimethyl- neopentane  
1542 Si(CH3)4 tetramethylsilane tms  
1543 N2O3 Dinitrogen trioxide n2o3  
1544 C3H2N2 Malononitrile c3h2n2  
1545 CH2N4 1H-Tetrazole 1htz  
1546 C3H3N2 imidazolyl radical im  
1547 C3H3N2- imidizolyl anion im-  
1548 C2H3N3 1H-1,2,4-Triazole c288880  
1549 C4H4N pyrrolide radical c4h4n  
1550 C4H4N- pyrrolide anion c4h4n-  
1551 C3H4N2 1H-Imidazole 1himidaz  
1552 C3H4N2 1H-Pyrazole 1hpyraz  
1553 C3H4N2 2H-Imidazole imid2h  
1554 C3H4N2 4H-Imidazole imid4h  
1555 C4H5N (E)-2-Butenenitrile c627269  
1556 C4H5N (Z)-2-Butenenitrile c1190767  
1557 C4H5N 2H-pyrrole pyrrole2  
1558 C4H5N 3H-pyrrole pyrrole3  
1559 C4H5N Cyclopropanecarbonitrile c5500210  
1560 C4H5N Pyrrole pyrrole  
1561 CH2CHCH2CN Allylcyanide ch2chch2cn  
1562 C4H6N+ pyrrole, alpha-protonated appyr  
1563 C4H6N+ pyrrole, beta-protonated bppyr  
1564 C4H6N+ pyrrole, protonated ppyr  
1565 C3H6N2 3-Aminopropionitrile c151188  
1566 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1567 CH3CH2CH2CN Butanenitrile c109740  
1568 C5H8 Bicyclo[2.1.0]pentane c185944  
1569 C5H8 Spiropentane c157404  
1570 C4H9N Cyclobutylamine cbam  
1571 C4H9N Pyrrolidine pyrrolidine  
1572 C3H10N2 1,2-Diaminopropane diampr12  
1573 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1574 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1575 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1576 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1577 NH(C2H5)2 diethylamine dea  
1578 NC4H12+ tetramethyl ammonium cation nc4h12+  
1579 C3O2 Carbon suboxide c3o2  
1580 C3O2+ Carbon suboxide cation c3o2+  
1581 B2O3 diboron trioxide b2o3  
1582 MgCO3 Magnesium Carbonate mgco3  
1583 BeCO3 Beryllium Carbonate beco3  
1584 CaCO3 Calcium Carbonate caco3  
1585 ONONO Nitrosyl nitrite onono  
1586 PO4--- phosphate po4---  
1587 SO4-- sulfate so4--  
1588 HOONO2 peroxy nitric acid hoono2  
1589 HSO4- bisulfate anion hso4-  
1590 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1591 C3H2O2 Propiolic acid c3h2o2  
1592 CHOCOOH oxo acetic acid oaa  
1593 CHOOCHO diformyl ether choocho  
1594 H2SO4 Sulfuric acid h2so4  
1595 H2SeO4 Selenic acid h2seo4  
1596 C3H3NO Isoxazole isox  
1597 C3H3NO Oxazole oxazole  
1598 C3H3NS Thiazole thiazole  
1599 CH3C(O)OO acetyl peroxy radical ch3coo2  
1600 CH3NO3 Methyl nitrate ch3no3  
1601 H3PO4 Phosphoric Acid h3po4  
1602 C4H4O Furan furan  
1603 C4H4O+ Furan cation furan+  
1604 CH3COCCH 3-butyn-2-one c1423605  
1605 C4H4S Thiophene furans  
1606 C4H4Se selenophene c4h4se  
1607 C3H4O2 β–Propiolactone beta  
1608 C3H4O2 2-Propenoic acid propenoic2  
1609 C3H4O2 Methyl glyoxal megly  
1610 C3H4O2 propanedial propanedial  
1611 C3H4O2 propenalol propenalol  
1612 HOCHCCHOH allenediol aldiol  
1613 C2H4O3 1,2,3-trioxolane c2h4o3  
1614 C2H4O3 trioxolane124 triox  
1615 HOCH2COOH Hydroxyacetic acid hac  
1616 CH2CHCONH2 Acrylamide c79061  
1617 CH3OCH2CN Methoxyacetonitrile c1738369  
1618 CH5N3S Hydrazinecarbothioamide c79196  
1619 H2NCH2COOH Glycine glycine  
1620 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1621 C4H6O cis-2-butenal butenal2c  
1622 C4H6O Cyclobutanone cbutone  
1623 C4H6O Furan, 2,3-dihydro- furan23h  
1624 C4H6O Furan, 2,5-dihydro- furan25h  
1625 CH2CHOCHCH2 Vinyl ether vinylether  
1626 CHOCHCHCH3 2-Butenal butenal2  
1627 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1628 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1629 CH2CHSCHCH2 Divinyl sulfide divis  
1630 C2H6N2O Urea, methyl- c598505  
1631 C3H6O2 1,3-Dioxolane dioxolane  
1632 CH3CH2COOH Propanoic Acid propanoic  
1633 CH3COOCH3 methyl acetate aame  
1634 HCOOC2H5 Ethyl formate faee  
1635 C2H6O2S Dimethyl sulfone c67710  
1636 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1637 C3H7NO dimethylformamide dmf  
1638 C3H7NO Propanamide propanam  
1639 C2H3OC2H5 Ethene, ethoxy- c109922  
1640 C4H8O Cyclobutanol c2919235  
1641 C4H8O Furan, tetrahydro- thf  
1642 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1643 CH3COCH2CH3 2-Butanone buta2one  
1644 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1645 CHOCH2CH2CH3 Butanal butanal  
1646 C4H8S Thiophene, tetrahydro- tht  
1647 C3H8O2 1,3-Propanediol c504632  
1648 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1649 C3H8O2 Methane, dimethoxy- c109875  
1650 C3H8O2 Propylene glycol c57556  
1651 C3H8S2 1,3-Propanedithiol c109808  
1652 C4H10O 1-Butanol butanol1  
1653 C4H10O 1-Propanol, 2-methyl- c78831  
1654 C4H10O 2-Butanol, (.+/-.)- butanol2  
1655 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1656 C4H10O Ethoxy ethane etoet  
1657 C4H10O Methyl propyl ether meopr  
1658 C4H10O Propane, 2-methoxy- c598538  
1659 C4H10O+ 1-Butanol cation butanol1+  
1660 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1661 C2H5SC2H5 Diethyl sulfide etset  
1662 C4H9SH 1-Butanethiol bush  
1663 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1664 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1665 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1666 FNO3 Fluorine nitrate fno3  
1667 ClONO2 Chlorine nitrate clono2  
1668 BrONO2 Bromine nitrate brono2  
1669 TiCl4 Titanium tetrachloride ticl4  
1670 ClO4- perchlorate anion clo4-  
1671 BF4- tetrafluoroboron anion bf4-  
1672 ClFO3 Perchloryl fluoride clfo3  
1673 SO2F2 Sulfuryl fluoride so2f2  
1674 SO2Cl2 Sulfuryl chloride so2cl2  
1675 F3NO Nitrogen trifluoride oxide f3no  
1676 F3PO Phosphoryl fluoride pf3o  
1677 Cl3PO Phosphoryl chloride pcl3o  
1678 CF4 Carbon tetrafluoride cf4  
1679 CF3Cl Methane, chlorotrifluoro- cf3cl  
1680 SiF4 Silicon tetrafluoride sif4  
1681 CF2Cl2 difluorodichloromethane cf2cl2  
1682 TiF4 Titanium tetrafluoride tif4  
1683 CFCl3 Trichloromonofluoromethane cfcl3  
1684 CF3Br Bromotrifluoromethane cf3br  
1685 GeF4 Germanium tetrafluoride gef4  
1686 CCl4 Carbon tetrachloride ccl4  
1687 CCl4+ Carbon tetrachloride cation ccl4+  
1688 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1689 SiCl4 Silane, tetrachloro- sicl4  
1690 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1691 CF3I trifluoroiodomethane cf3i  
1692 CBrCl3 Methane, bromotrichloro- cbrcl3  
1693 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1694 GeCl4 Germanium Tetrachloride gecl4  
1695 CBr2ClF dibromochlorofluoromethane cbr2clf  
1696 CBr2Cl2 dibromodichloromethane cbr2cl2  
1697 CCl3I trichloroiodomethane ccl3i  
1698 CFBr3 fluorotribromomethane cfbr3  
1699 CFClBrI fluorochlorobromoiodomethane cfclbri  
1700 CBr3Cl tribromochloromethane cbr3cl  
1701 CF2I2 difluorodiiodomethane cf2i2  
1702 CBr4 Carbon tetrabromide cbr4  
1703 CCl2I2 dichlorodiiodomethane ccl2i2  
1704 SiBr4 Silicon tetrabromide sibr4  
1705 CBr3I tribromoiododmethane cbr3i  
1706 GeBr4 Germanium tetrabromide gebr4  
1707 CI4 tetraiodomethane ci4  
1708 SiI4 silicon tetraiodide sii4  
1709 ClOF3 Chlorine trifluoride oxide clof3  
1710 SF4 Sulfur tetrafluoride sf4  
1711 SeF4 Selenium tetrafluoride sef4  
1712 SCl4 Sulfur tetrachloride scl4  
1713 C2HF3 Trifluoroethylene c2hf3  
1714 C2HF3+ Trifluoroethylene cation c2hf3+  
1715 CHClCCl2 Trichloroethylene chclccl2  
1716 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1717 HClO4 perchloric acid hclo4  
1718 HSO3F Fluorosulfonic acid hso3f  
1719 CF3OH trifluoromethanol cf3oh  
1720 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1721 CHClCCHCl 1,3-dichloroallene chclcchcl  
1722 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1723 CHCl2CHO dichloroacetaldehyde chcl2cho  
1724 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1725 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1726 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1727 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1728 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1729 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1730 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1731 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1732 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1733 NH3BCl3 Amminetrichloroboron nh3bcl3  
1734 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1735 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1736 C3H5ClO Oxirane, (chloromethyl)- c106898  
1737 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1738 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1739 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1740 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1741 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1742 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1743 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1744 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1745 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1746 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1747 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1748 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1749 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1750 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1751 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1752 C4H9F 1-fluorobutane butaf1  
1753 CH3CHFCH2CH3 2-fluorobutane butaf2  
1754 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1755 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1756 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1757 XeF4 Xenon tetrafluoride xef4  
1758 C2H2N2O Furazan furazan  
1759 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1760 NH3BF3 Amminetrifluoroboron nh3bf3  
1761 C6H2 hexatriyne c6h2  
1762 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1763 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1764 C6H4 Benzyne benzyne  
1765 C6H5 phenyl phenyl  
1766 C6H5- phenyl anion phenyl-  
1767 C6H6 Prismane prismane  
1768 C6H6 1,2,4,5-Hexatetraene ht1245  
1769 C6H6 2,4-Hexadiyne hexadiyne  
1770 C6H6 3,4-Dimethylenecyclobutene cb34m  
1771 C6H6 Benzene benzene  
1772 C6H6 Benzvalene bv  
1773 C6H6 Dewar Benzene dewar  
1774 C6H6 Hexa-1,5-diene-3-yne hdy153  
1775 C6H6 Trimethylenecycopropane tmcp  
1776 C6H6+ Benzene cation c6h6+  
1777 C6H7+ benzene, protonated c6h7+  
1778 C6H8 (E)-hexa-1,3,5-triene c821078  
1779 C6H8 (E)-hexa-2,3,4-triene c59660650  
1780 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1781 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1782 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1783 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1784 C6H8 3-Methylenecyclopentene c930267  
1785 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1786 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1787 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1788 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1789 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1790 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1791 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1792 C6H10 1,5-Hexadiene c592427  
1793 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1794 C6H10 1-Hexyne hexyne1  
1795 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1796 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1797 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1798 C6H10 2-Hexyne c764352  
1799 C6H10 3-Hexyne hexyne3  
1800 C6H10 cyclohexene cyclohexene  
1801 C6H10 Cyclopentene, 1-methyl- c693890  
1802 C6H10 Cyclopentene, 3-methyl- c1120623  
1803 C6H10 Cyclopentene, 4-methyl- c1759815  
1804 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1805 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1806 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1807 C6H12 (E)-2-Hexene e2hexene  
1808 C6H12 (E)-3-methylpent-2-ene c616126  
1809 C6H12 (E)-hex-3-ene e3hexene  
1810 C6H12 (Z)-3-methylpent-2-ene c922623  
1811 C6H12 (Z)-hex-2-ene z2hexene  
1812 C6H12 (Z)-hex-3-ene z3hexene  
1813 C6H12 2,3-dimethylbut-1-ene c563780  
1814 C6H12 2,3-dimethyl-but-2-ene tmeet  
1815 C6H12 3-methylenepentane c760214  
1816 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1817 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1818 C6H12 Cyclohexane cyclohexane  
1819 C6H12 Cyclopentane, methyl- c96377  
1820 C6H12 Ethylcyclobutane c4806615  
1821 C6H12 hex-1-ene hexene1  
1822 C6H14 Butane, 2,2-dimethyl- buta22  
1823 C6H14 Butane, 2,3-dimethyl- buta23  
1824 C6H14 Hexane hexane  
1825 C6H14 Pentane, 2-methyl- penta2  
1826 C6H14 Pentane, 3-methyl- penta3  
1827 C4N2 2-Butynedinitrile c4n2  
1828 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1829 C4H2N2 Fumaronitrile c4h2n2  
1830 C2H2N4 sym-tetrazine ttz  
1831 C3H3N3 1,3,5-Triazine triazine135  
1832 CH3N5 5-Aminotetrazole c4418615  
1833 C4H4N2 1,3-Diazine diazine13  
1834 C4H4N2 Pyrazine pyrazine  
1835 C4H4N2 Pyridazine pyridazine  
1836 C4H4N2 Succinonitrile c110612  
1837 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1838 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1839 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1840 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1841 C5H5N E-2,4-pentadienenitrile bdcn  
1842 C5H5N Pyridine pyridine  
1843 B3N3H6 borazine borazine  
1844 C6H6 Fulvene fulvene  
1845 C5H6N+ Pyridinium c5h6n  
1846 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1847 C5H7N (E)-2-Pentenenitrile c26294984  
1848 C5H7N (E)-3-Pentenenitrile c16529661  
1849 C5H7N (Z)-2-Pentenenitrile c25899507  
1850 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1851 C5H7N Cyclobutanecarbonitrile c4426113  
1852 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1853 C5H9N Butanenitrile, 2-methyl- c18936179  
1854 C5H9N Pentanenitrile c110598  
1855 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1856 C6H10 Bicyclo[3.1.0]hexane c285585  
1857 C5H11N Cyclopentanamine cypentam  
1858 C5H11N Piperidine piper  
1859 C4H12N2 1,2-Butanediamine c4426486  
1860 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1861 Li2CO3 Lithium Carbonate li2co3  
1862 Na2CO3 Sodium Carbonate na2co3  
1863 C2O4-- oxalate anion c2o4  
1864 MgSO4 Magnesium Sulfate mgso4  
1865 N2O4 Dinitrogen tetroxide n2o4  
1866 C3H2O3 vinylene carbonate vica  
1867 C2H2O4 Oxalic Acid oxalic  
1868 C2H3NO3 Oxamic acid oxamic  
1869 C4H4O2 2(5H)-Furanone furanone  
1870 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1871 C2H4N2O2 Oxalamide oxalamide  
1872 C2H4N2S2 Ethanedithioamide c79403  
1873 C2H4CO3 Ethylene carbonate etco3  
1874 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1875 C3H4S3 1,3-Dithiolane-2-thione c822388  
1876 C2H4O4 Formic acid dimer fadimer  
1877 C4H5NO 3-Methylisoxazole isox3m  
1878 C4H5NO Isoxazole, 5-methyl- c5765446  
1879 C4H5NS 4-Methylthiazole c693958  
1880 C2H5NO3 Nitric acid, ethyl ester c625581  
1881 C5H6O 2H-Pyran pyran2  
1882 C5H6O 2-methylfuran furan2m  
1883 C5H6O 3-Methylfuran furan3m  
1884 C5H6O Pentadienal pdal  
1885 C5H6S Thiophene, 2-methyl- c554143  
1886 C5H6S Thiophene, 3-methyl- c616444  
1887 C4H6O2 γ–Butyrolactone c96480  
1888 C4H6O2 2,3-Butanedione c431038  
1889 C4H6O2 2-Propenoic acid, methyl ester c96333  
1890 C4H6O2 Crotonic Acid crot  
1891 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1892 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1893 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1894 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1895 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1896 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1897 C4H6OS Vinyl sulfoxide c1115157  
1898 CH6N4S Carbonothioic dihydrazide thiacarb  
1899 C2H6N2O2 (E)-Azodioxymethane c37765154  
1900 C2H6N2O2 Dimethylnitroamine c4164287  
1901 C3H6O3 1,3,5-Trioxane trioxane  
1902 C3H6S3 1,3,5-Trithiane c3h6s3  
1903 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1904 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1905 C4H7NO 2-Pyrrolidinone c616455  
1906 C4H7NO Ethoxyacetonitrile etoaccn  
1907 C4H7NO Methacrylamide c79390  
1908 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1909 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1910 C3H7ONO Propyl nitrite prono  
1911 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1912 CH3CH(NH2)COOH Alanine alanine  
1913 CH3NHCH2COOH Sarcosine sarcosine  
1914 NH2CH2CH2COOH β–alanine betaalanine  
1915 NH2COOC2H5 Urethane urethane  
1916 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1917 C5H8O Cyclopentanone c120923  
1918 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1919 C5H8O Methyl cyclopropyl ketone c765435  
1920 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1921 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1922 NH2CONHC2H5 Urea, ethyl- c625525  
1923 C4H8O2 1,3-Dioxane dioxan13  
1924 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1925 C4H8O2 1,4-Dioxane dioxan14  
1926 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1927 C4H8O2 Ethyl acetate c141786  
1928 C4H8OS s-Ethyl thioacetate c625605  
1929 C3H8O3 1,2,3-Propanetriol glycerin  
1930 C3H8O2S (Methylsulfonyl)ethane c594434  
1931 C4H9NO Butanamide c541355  
1932 C4H9NO Propanamide, 2-methyl- c563837  
1933 C5H10O 2-Butanone, 3-methyl- c563804  
1934 C5H10O 2H-Pyran, tetrahydro- c142687  
1935 C5H10O 2-methylbutyraldehyde 2meba  
1936 C5H10O 2-Pentanone mpk  
1937 C5H10O 3-Pentanone dek  
1938 C5H10O Cyclopentanol c96413  
1939 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1940 C5H10O Pentanal pal  
1941 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1942 C5H10S 3-Ethylthio-1-propene c5296628  
1943 C5H10S Cyclopentanethiol c1679078  
1944 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1945 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1946 C4H10O2 1,1-Dimethoxyethane c534156  
1947 C4H10O2 1,3-Butanediol budiol13  
1948 C4H10O2 1,4-Butanediol budiol14  
1949 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1950 C4H10OS Diethyl sulfoxide c70291  
1951 C4H10S2 1,4-Butanedithiol budisl14  
1952 C4H11NO Diethylhydroxylamine c3710847  
1953 C5H12O 1-Butanol, 2-methyl- c137326  
1954 C5H12O 1-Butanol, 3-methyl- c123513  
1955 C5H12O 1-Pentanol pentanol1  
1956 C5H12O 2-Butanol, 3-methyl- c598754  
1957 C5H12O 2-Pentanol peol2  
1958 C5H12O 3-Pentanol pentan3ol  
1959 C5H12O Butane, 1-methoxy- meobu  
1960 C5H12O Propane, 1-ethoxy- proet  
1961 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1962 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1963 C5H12S 1-Butanethiol, 3-methyl- c541311  
1964 C5H12S 1-Pentanethiol c110667  
1965 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1966 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1967 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1968 C5H12S Butane, 1-(methylthio)- c628295  
1969 C5H12S Ethyl propyl sulfide c4110503  
1970 C5H12S Propane, 2-(ethylthio)- c5145993  
1971 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1972 C4F2 difluorobutadiyne c4f2  
1973 ClCOClCO Oxalyl chloride oxcl  
1974 CF3CN Acetonitrile, trifluoro- cf3cn  
1975 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1976 B2F4 Diboron tetrafluoride b2f4  
1977 B2Cl4 Diboron tetrachloride b2cl4  
1978 C2F4 Tetrafluoroethylene c2f4  
1979 C2F4+ Tetrafluoroethylene cation c2f4+  
1980 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1981 CF2CCl2 difluorodichloroethylene cf2ccl2  
1982 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1983 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1984 C2FCl3 fluorotrichloroethene c2fcl3  
1985 C2Cl4 Tetrachloroethylene c2cl4  
1986 C2Br4 tetrabromoethene c2br4  
1987 CF3OF Trifluoromethylhypofluorite cf3of  
1988 SiF5- silicon pentafluoride anion sif5-  
1989 SOF4 Sulfur tetrafluoride oxide sof4  
1990 PF5 Phosphorus pentafluoride pf5  
1991 AsF5 Arsenic pentafluoride asf5  
1992 PCl5 Phosphorus pentachloride pcl5  
1993 SF5 Sulfur pentafluoride sf5  
1994 SF5+ pentafluoro sulfur cation sf5+  
1995 SbCl5 Antimony pentachloride sbcl5  
1996 BrF5 bromine pentafluoride brf5  
1997 ClF5 chlorinepentafluoride clf5  
1998 IF5 pentafluoroiodine if5  
1999 CF3CHO trifluoroacetaldehyde cf3cho  
2000 CCl3CHO trichloroacetaldehyde ccl3cho  
2001 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
2002 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
2003 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
2004 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
2005 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
2006 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
2007 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
2008 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
2009 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
2010 CF3COOH trifluoroacetic acid cf3cooh  
2011 C4H3ClO Furan, 2-chloro fur2cl  
2012 C4H3ClO Furan,3-chloro fur3cl  
2013 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
2014 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
2015 C4H8Cl2 1,4-Dichlorobutane c110565  
2016 C4H8Cl2 Butane, 1,2-dichloro- c616217  
2017 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
2018 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
2019 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
2020 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
2021 C5H11Cl Pentane, 1-chloro- pencl1  
2022 C4H8O2 Butanoic acid bua  
2023 C6H5CH2 benzyl radical benzyl  
2024 C7H7 cycloheptatrienyl radical c7h7  
2025 C7H7+ cycloheptatrienyl cation c7h7+  
2026 C6H5CH3 toluene toluene  
2027 C7H8 cycloheptatriene cht  
2028 C7H8 Norbornadiene norbor  
2029 C7H8 Quadricyclane qucy  
2030 C7H12 Norbornane nor  
2031 C7H14 cycloheptane c7h14  
2032 C7H16 2-methylhexane 2mhex  
2033 C7H16 3-methylhexane hex3m  
2034 C7H16 heptane heptane  
2035 CH(CN)3 tricyanomethane mecn3  
2036 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
2037 C6H7N 2-Methylpyridine mp  
2038 C6H5NH2 aniline aniline  
2039 C6H13N 2-Methylpiperidine pip2m  
2040 C6H13N cyclohexanamine cham  
2041 C6H15N triethylamine tea  
2042 N2O5 Dinitrogen pentoxide n2o5  
2043 C4H2O3 Maleic Anhydride malan  
2044 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
2045 C5H4O2 furfural furfural  
2046 C6H5O phenoxy radical phenoxy  
2047 C5H5NO 2(1H)-Pyridinone c72762006  
2048 C5H5NO 2(3H)-Pyridinone c9000048  
2049 C5H5NO 2(5H)-Pyridinone c9000037  
2050 C5H5NO 2-Pyridinol c109104  
2051 C5H5NO 3(2H)-Pyridinone c9000004  
2052 C5H5NO 3(4H)-Pyridinone c9000026  
2053 C5H5NO 3(6H)-Pyridinone c9000015  
2054 C5H5NO 3-Pyridinol c109002  
2055 C5H5NO 4(1H)-Pryidinone c9000060  
2056 C5H5NO 4(3H)-Pryidinone c9000059  
2057 C5H5NO 4-Pyridinol c626642  
2058 C6H5OH phenol phenol  
2059 C6H6O 2,4-Cyclohexadienone c24599573  
2060 C6H6O 2,5-Cyclohexadienone c5664335  
2061 C6H5SH Benzenethiol phsh  
2062 HO2CCHNH2CH2OH Serine serine  
2063 C5H8O2 Acetylacetone acac  
2064 C4H8O2S Sulfolane sulfolane  
2065 C7H10 Norbornene norbornene  
2066 CH(C2H3)3 trivinyl methane tvm  
2067 C6H10O cyclohexanone chexo  
2068 C6H12O hexanal c6h12o  
2069 C6H12O Oxepane oxepane  
2070 C3H7OC3H7 di-n-propyl ether propr  
2071 F2CCCF2 tetrafluoroallene pfa  
2072 CF3COO- trifluoro acetate anion cf3coo-  
2073 CF3COF trifluoroacetyl fluoride cf3cof  
2074 CF3COCl trifluoroacetyl chloride cf3cocl  
2075 PF6 Hexafluorophosphate neutral pf6  
2076 PF6- Hexafluorophosphate ion pf6-  
2077 SF6 Sulfur Hexafluoride sf6  
2078 SeF6 Selenium hexafluoride sef6  
2079 SF5Cl sulfur chloropentafluoride sf5cl  
2080 CF3CHF2 pentafluoroethane cf3chf2  
2081 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
2082 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2083 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2084 CCl3CHCl2 pentachloroethane ccl3chcl2  
2085 C6H5F Fluorobenzene bzf  
2086 C6H5Cl chlorobenzene bzcl  
2087 C6H5Br bromobenzene bzbr  
2088 C8H6 Calicene calicene  
2089 C6H5CCH phenylacetylene phac  
2090 C8H6 benzocyclobutadiene bcbd  
2091 C8H6 Pentalene pentalene  
2092 C6H5CHCH2 Styrene styrene  
2093 C8H8 cubane cubane  
2094 C8H8 cyclooctatetraene cot  
2095 C6H5CH2CH3 Ethylbenzene etbz  
2096 CH3C6H4CH3 meta-xylene mxylene  
2097 CH3C6H4CH3 paraxylene pxylene  
2098 C8H14 Bicyclo[2.2.2]octane bico222  
2099 C8H16 cyclooctane cyclooct  
2100 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2101 C8H18 Octane c8h18  
2102 C6H5CN phenyl cyanide phcn  
2103 C6H12N2 Triethylenediamine ted  
2104 C4O4-- squarate dianion c4o4--  
2105 S4N4 Tetrasulfur tetranitride s4n4  
2106 S8 Octasulfur s8  
2107 C6H4O2 parabenzoquinone pbq  
2108 C4H4N2O2 Uracil uracil  
2109 C6H5CHO benzaldehyde benzal  
2110 C6H5OCH3 Anisole anisole  
2111 C5H9NO2 Proline proline  
2112 C6H12O2 Methyl pivalate c598981  
2113 C6H12O2 Hexanoic acid hexa  
2114 C4F4 tetrafluorcyclobutadiene c4f4  
2115 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2116 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2117 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2118 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2119 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2120 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2121 C2F6 hexafluoroethane c2f6  
2122 C2Cl6 hexachloroethane c2cl6  
2123 IF7 Iodine heptafluoride if7  
2124 C6H4F2 metadifluorobenzene mdfb  
2125 C6H4F2 orthodifluorobenzene odfb  
2126 C6H4F2 1,4-difluorobenzene pdfb  
2127 C6H4Cl2 1,2-dichlorobenzene dcb12  
2128 C6H4Cl2 1,3-dichlorobenzene dcb13  
2129 C6H4Cl2 1,4-dichlorobenzene dcb14  
2130 C6H5NO nitrosobenzene bzno  
2131 C9H8 Indene indene  
2132 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2133 C9H12 n-propyl benzene prbz  
2134 C9H20 Nonane nonane  
2135 C(CN)4 tetracyanomethane c5n4  
2136 C5H4N4 purine purine  
2137 C8H7N Indole indole  
2138 C3H3N3O3 cyanuric acid cyanuric  
2139 C6H5NO2 Nitrobenzene c6h5no2  
2140 C6H5COOH benzoic acid benzo  
2141 CH3COC6H5 acetophenone acph  
2142 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2143 C3F6 hexafluoropropene c3f6  
2144 C6H3F3 Benzene trifluoride 123 bzf3a  
2145 C8H18O 1-Octanol octanol  
2146 C10H8 Azulene azu  
2147 C10H8 naphthalene naph  
2148 C10H10 bullvalene bullv  
2149 C10H16 adamantane adamantane  
2150 C6N4 Tetracyanoethylene tcne  
2151 C6N4- tetracyanoethylene anion tcne-  
2152 C10H22 Decane decane  
2153 C4F6 perfluorobutadiene c4f6  
2154 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2155 C3F8 perfluoropropane c3f8  
2156 Fe(CO)5 Iron pentacarbonyl ipc  
2157 Fe(C5H5)2 ferrocene fecp2  
2158 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2159 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2160 C12H8 Acenaphthylene acenaph  
2161 C12H8 biphenylene biph  
2162 C12H10 biphenyl biphenyl  
2163 C12H10 Heptalene heptalene  
2164 C6H12O6 Inositol inositol  
2165 C6F6 hexafluorobenzene c6f6  
2166 S2F10 disulphur decafluoride s2f10  
2167 C13H10 Fluorene fluorene  
2168 C14H10 Anthracene anth  
2169 C14H10 Phenanthrene phenanthrene  
2170 C14H14 Bibenzyl bibenzyl  
2171 C12H10N2 azobenzene azobenzene  
2172 C6H5COC6H5 benzophenone benzophenone  
2173 C16H10 Pyrene pyrene  
2174 C18H12 Tetracene tetracene  
2175 C19H16 Triphenylmethane tpm  
2176 C24H12 Coronene coronene  
2177 C60 Buckminsterfullerene c60