return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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List of which calculations are completed at ROHF /6-311+G(3df,2pd)

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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 C+ Carbon atom cation 2PKh
11 Si Silicon atom 3PKh
12 Si+ Silicon atom cation 2PKh
13 N Nitrogen atom 4SKh
14 N Nitrogen atom 2DKh
15 N+ Nitrogen atom cation 3PKh
16 P Phosphorus atom 4SKh
17 O Oxygen atom 3SKh
18 O+ Oxygen atom cation 4SKh
19 S Sulfur atom 3PKh
20 OH Hydroxyl radical 2ΠC∞v
21 F Fluorine atom 2PKh
22 F+ Fluorine atom cation 3SKh
23 Cl Chlorine atom 2PKh
24 Cl+ Chlorine atom cation 3PKh
25 Ne+ Neon atom cation 2PKh
26 NO Nitric oxide 2ΠC∞v
27 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 Si- Silicon atom anion si-  
101 Ti Titanium atom ti  
102 Ti- Titanium atom anion ti-  
103 Ti+ Titanium atom cation ti+  
104 Ge Germanium atom ge  
105 Ge- Germanium anion ge-  
106 Ge+ Germanium cation ge+  
107 Sn Tin atom sn  
108 Sn+ Tin cation sn+  
109 CH Methylidyne ch  
110 CH- methylidyne anion ch-  
111 CH+ Methylidyne cation ch+  
112 SiH Silylidyne sih  
113 SiH- silicon monohydride anion sih-  
114 SiH+ silicon monohydride cation sih+  
115 GeH germylidene geh  
116 GeH+ Germaniun monohyrdide cation geh+  
117 CH2 Methylene ch2  
118 CH2- methylene anion ch2-  
119 CH2+ methylene cation ch2+  
120 SiH2 silicon dihydride sih2  
121 SiH2- silicon dihydride anion sih2-  
122 SiH2+ silicon dihydride cation sih2+  
123 GeH2 germylene geh2  
124 GeH2- germylene anion geh2-  
125 CH3 Methyl radical ch3  
126 CH3- methyl anion ch3-  
127 CH3+ methyl cation ch3+  
128 SiH3 Silyl radical sih3  
129 SiH3- Silyl anion sih3-  
130 SiH3+ Silyl cation sih3+  
131 GeH3 Germyl radical geh3  
132 GeH3+ germyl cation geh3+  
133 CD4 methane-d4 cd4  
134 CH2D2 methane-d2 ch2d2  
135 CH3D methane-d ch3d  
136 CH4 Methane ch4  
137 CH4- Methane anion ch4-  
138 CH4+ Methane cation ch4+  
139 CHD3 methane-d3 chd3  
140 SiH2D2 silane-d2 sih2d2  
141 SiH4 Silane sih4  
142 SiH4+ Silane cation sih4+  
143 GeH4 Germane geh4  
144 SnH4 Stannane snh4  
145 SiH5+ Silane, protonated sih5+  
146 N- Nitrogen atom anion n-  
147 P- Phosphorus atom anion p-  
148 P+ Phosphorus atom cation p+  
149 V Vanadium atom v  
150 V+ Vanadium atom cation v+  
151 As Arsenic atomic as  
152 As- Arsenic anion as-  
153 As+ Arsenic cation as+  
154 Sb Antimony atom sb  
155 NH Imidogen nh  
156 NH- Imidogen anion nh-  
157 NH+ imidogen cation nh+  
158 PH phosphorus monohydride ph  
159 PH- phosphorus monohydride anion ph-  
160 PH+ phosphorus monohydride cation ph+  
161 AsH Arsenic monohydride ash  
162 AsH+ Arsenic monohydride cation ash+  
163 SbH Antimony monohydride sbh  
164 ND2 Amidogen-d2 nd2  
165 NH2 Amino radical nh2  
166 NH2- amino anion nh2-  
167 NH2+ Amino cation nh2+  
168 PH2 Phosphino radical ph2  
169 PH2- Phosphino anion ph2-  
170 PH2+ Phosphino cation ph2+  
171 AsH2 Arsenic dihydride ash2  
172 AsH2+ Arsenic dihydride cation ash2+  
173 ND3 Ammonia-d3 nd3  
174 NH3 Ammonia nh3  
175 NH3- Ammonia anion nh3-  
176 NH3+ ammonia cation nh3+  
177 PH3 Phosphine ph3  
178 PH3+ Phosphine cation ph3+  
179 AsH3 Arsine ash3  
180 AsH3+ Arsine cation ash3+  
181 SbH3 Stibine sbh3  
182 AsH4+ Arsonium ash4+  
183 NH4 Ammonium radical nh4  
184 NH4+ ammonium cation nh4+  
185 PH4 Phosphoranyl radical ph4  
186 PH4+ phosphonium cation ph4+  
187 O- Oxygen atom anion o-  
188 S- Sulfur atom anion s-  
189 S+ Sulfur atom cation s+  
190 Cr Chromium atom cr  
191 Se Selenium atom se  
192 Se- Selenium atom anion se-  
193 Se+ Selenium atom cation se+  
194 Te Tellurium atom te  
195 Te+ Tellurium atom cation te+  
196 DO Hydroxyl-d od  
197 OH- hydroxide anion oh-  
198 OH+ hydoxyl cation oh+  
199 DS Mercapto-d ds  
200 HS Mercapto radical hs  
201 HS- mercapto anion sh-  
202 HS+ sulfur monohydride cation sh+  
203 CrH Chromium hydride crh  
204 CrH+ Chromium hydride cation crh+  
205 HSe Selenium monohydride hse  
206 HSe- selenium monohydride anion hse-  
207 HSe+ selenium monohydride cation hse+  
208 TeH Telluryl radical teh  
209 D2O Deuterium oxide d2o  
210 H2O Water h2o  
211 H2O- water anion h2o-  
212 H2O+ water cation h2o+  
213 HDO Water-d1 hdo  
214 D2S Hydrogen sulfide-d2 d2s  
215 H2S Hydrogen sulfide h2s  
216 H2S- Hydrogen sulfide anion h2s-  
217 H2S+ Hydrogen sulfide cation h2s+  
218 H2Se Hydrogen selenide h2se  
219 H2Se+ Hydrogen selenide cation h2se+  
220 H2Te Hydrogen Telluride h2te  
221 H3O+ hydronium cation h3o+  
222 H3S+ Sulfonium cation h3s+  
223 H3Se+ Hydrogen Selenide, protonated h3se+  
224 F- Fluorine atom anion f-  
225 Cl- Chlorine atom anion cl-  
226 Mn Manganese atom mn  
227 Br Bromine atom br  
228 Br- Bromine atom anion br-  
229 Br+ Bromine atom cation br+  
230 I Iodine atom iodine  
231 I- Iodine atom anion iodine-  
232 I+ Iodine atom cation iodine+  
233 DF Hydrofluoric acid-d df  
234 HF Hydrogen fluoride hf  
235 HF- hydrogen fluoride anion hf-  
236 HF+ hydrogen fluoride cation hf+  
237 DCl Hydrochloric acid-d dcl  
238 HCl Hydrogen chloride hcl  
239 HCl- hydrogen chloride anion hcl-  
240 HCl+ hydrogen chloride cation hcl+  
241 HBr hydrogen bromide hbr  
242 HBr- hydrogen bromide anion hbr-  
243 HBr+ hydrogen bromide cation hbr+  
244 HI Hydrogen iodide hi  
245 HI+ Hydrogen iodide cation hi+  
246 H2F+ dihydrogen fluoride cation h2f+  
247 H2Cl+ dihydrogen monochloride cation h2cl+  
248 H2Br+ protonated hydrogen bromide h2br+  
249 H2I+ Iodonium h2i+  
250 Ne Neon atom ne  
251 Ne- Neon atom anion ne-  
252 Ar Argon atom ar  
253 Ar- Argon atom anion ar-  
254 Ar+ Argon atom cation ar+  
255 Fe Iron atom fe  
256 Kr Krypton atom kr  
257 Kr+ Krypton cation kr+  
258 Xe Xenon atom xe  
259 HeLi+ Helium Lithium cation heli+  
260 NeH neon hydrogen neh  
261 NeH+ neon hydrogen cation neh+  
262 ArH+ Argon hydride cation arh+  
263 KrH+ Protonated Krypton krh+  
264 XeH+ Xenon, protonated xeh+  
265 H2Ar H2 Ar dimer h2ar  
266 Co Cobalt atom cobalt  
267 Ni Nickel atom ni  
268 Li2 Lithium diatomic li2  
269 Li2- lithium diatomic anion li2-  
270 Li2+ lithium diatomic cation li2+  
271 NaLi lithium sodium lina  
272 NaLi- lithium sodium anion lina-  
273 NaLi+ lithium sodium cation lina+  
274 LiK Lithium Potassium lik  
275 Na2 Sodium diatomic na2  
276 Na2- sodium diatomic anion na2-  
277 Na2+ sodium diatomic cation na2+  
278 NaK Sodium Potassium nak  
279 NaK+ Sodium Potassium diatomic cation nak+  
280 K2 Potassium diatomic k2  
281 Cu2 Copper diatomic cu2  
282 LiBe Lithium Beryllium libe  
283 LiMg Lithium magnesium limg  
284 NaBe Sodium Beryllium nabe  
285 NaMg Sodium Magnesium namg  
286 Be2 Beryllium diatomic be2  
287 Be2- Beryllium diatomic anion be2-  
288 Be2+ Beryllium diatomic cation be2+  
289 BeMg Beryllium Magnesium bemg  
290 Mg2 Magnesium diatomic mg2  
291 Mg2- magnesium diatomic anion mg2-  
292 Mg2+ magnesium diatomic cation mg2+  
293 Ca2 Calcium diatomic ca2  
294 LiB Lithium boride lib  
295 LiAl Lithium Aluminum lial  
296 NaAl Sodium aluminum naal  
297 BeB Beryllium monoboride beb  
298 B2 Boron diatomic b2  
299 B2- Boron diatomic anion b2-  
300 B2+ Boron diatomic cation b2+  
301 BAl Boron Aluminum bal  
302 Al2 Aluminum diatomic al2  
303 Al2- aluminum diatomic anion al2-  
304 Al2+ aluminum diatomic cation al2+  
305 BGa Boron Gallium bga  
306 AlGa Aluminum Gallium alga  
307 Ga2 Gallium diatomic ga2  
308 HBBH Diborane(2) hbbh  
309 LiBH4 Lithium borohydride libh4  
310 B2H4 Diborane(4) D2d b2h4  
311 HBHHBH Diborane(4) C2V hbhhbh  
312 B2H6 Diborane b2h6  
313 B2H6+ Diborane cation b2h6  
314 Al2H6 dialane al2h6  
315 Ga2H6 digallane ga2h6  
316 LiC Lithium Carbide lic  
317 BeC Beryllium Carbide bec  
318 CaC Calcium monocarbide cac  
319 BC boron monocarbide bc  
320 BC- boron monocarbide anion bc-  
321 BC+ boron monocarbide cation bc+  
322 AlC Aluminum carbide alc  
323 BSi Boron silicide bsi  
324 C2 Carbon diatomic c2  
325 C2- carbon diatomic anion c2-  
326 C2+ carbon diatomic cation c2+  
327 SiC silicon monocarbide sic  
328 SiC- silicon monocarbide anion sic-  
329 SiC+ silicon monocarbide cation sic+  
330 Si2 Silicon diatomic si2  
331 Si2- silcon diatomic anion si2-  
332 Si2+ silcon diatomic cation si2+  
333 GeC Germanium monocarbide gec  
334 SiGe Silicon Germanium sige  
335 Ge2 Germanium diatomic ge2  
336 C2H Ethynyl radical c2h  
337 C2H- Ethynyl anion c2h-  
338 C2H+ Ethynyl cation c2h+  
339 ZnCH2 Zinc methylene znch2  
340 C2H2 Acetylene c2h2  
341 C2H2+ acetylene cation c2h2+  
342 CCH2 vinylidene vinylidene  
343 H2CC- vinylidene anion h2cc-  
344 HCCH- acetylene anion c2h2-  
345 Si2H2 disilyne si2h2  
346 CH3Li methyl lithium ch3li  
347 CuCH3 monomethyl copper cuch3  
348 ZnCH3 Zinc monomethyl znch3  
349 CH2BH methyleneborane ch2bh  
350 C2H3 vinyl c2h3  
351 C2H3- vinyl anion c2h3-  
352 C2H3+ vinyl cation c2h3+  
353 C2H4 Ethylene c2h4  
354 C2H4- Ethylene anion c2h4-  
355 C2H4+ Ethylene cation c2h4+  
356 CH3CH methylmethylene ch3ch  
357 CH2SiH2 silaethylene ch2sih2  
358 Si2H4 Disilene si2h4  
359 CH3BH2 methylborane ch3bh2  
360 C2H5 Ethyl radical c2h5  
361 C2H5- Ethyl anion c2h5-  
362 C2H5+ Ethyl cation c2h5+  
363 C2H6 Ethane c2h6  
364 C2H6+ ethane cation c2h6+  
365 CH3SiH3 methyl silane ch3sih3  
366 Si2H6 disilane si2h6  
367 GeH3CH3 methyl germane geh3ch3  
368 C2H7+ Ethane, protonated c2h7+  
369 LiN Lithium Nitride lin  
370 LiN+ Lithium Nitride cation lin+  
371 LiP Lithium monophosphide lip  
372 BeN Beryllium mononitride ben  
373 BeN- Beryllium mononitride anion ben-  
374 BeN+ Beryllium mononitride cation ben+  
375 MgN Magnesium Nitride mgn  
376 BN- boron nitride anion bn-  
377 AlN- aluminum mononitride anion aln-  
378 AlN+ aluminum mononitride cation aln+  
379 BP Boron monophosphide bp  
380 AlP Aluminum monophosphide alp  
381 GaN Gallium mononitride gan  
382 GaP Gallium monophosphide gap  
383 GaAs Gallium arsenide gaas  
384 BN boron nitride bn  
385 BN+ boron nitride cation bn+  
386 AlN Aluminum nitride aln  
387 CN Cyano radical cn  
388 CN- cyanide anion cn-  
389 CN+ Cyano cation cn+  
390 CP Carbon monophosphide cp  
391 CP- carbon monophosphide anion cp-  
392 CP+ carbon monophosphide cation cp+  
393 SiN Silicon nitride sin  
394 SiN- silicon mononitride anion sin-  
395 SiN+ silicon mononitride cation sin+  
396 SiP Silicon monophosphide sip  
397 SiP- Silicon monophosphide anion sip-  
398 SiP+ Silicon monophosphide cation sip+  
399 TiN Titanium mononitride tin  
400 N2 Nitrogen diatomic n2  
401 N2- nitrogen diatomic anion n2-  
402 N2+ diatomic nitrogen cation n2+  
403 PN Phosphorus mononitride pn  
404 PN- phosphorus nitride anion pn-  
405 PN+ phosphorus nitride cation pn+  
406 P2 Phosphorus diatomic p2  
407 P2- phosphorus diatomic anion p2-  
408 P2+ phosphorus diatomic cation p2+  
409 AsN Arsenic mononitride asn  
410 AsP Arsenic monophosphide asp  
411 SbN Antimony nitride sbn  
412 As2 Arsenic diatomic as2  
413 HNB hydrogen nitrogen boron hnb  
414 HNC hydrogen isocyanide hnc  
415 HCN Hydrogen cyanide hcn  
416 HCN- Hydrogen cyanide anion hcn-  
417 HCN+ hydrogen cyanide cation hcn+  
418 HNC+ hydrogen isocyanide cation hnc+  
419 HCP Phosphaethyne hcp  
420 HCP+ Phosphaethyne cation hcp+  
421 NNH Dinitrogen monohydride nnh  
422 NNH+ Dinitrogen monohydride cation nnh+  
423 HPO Hydrogen phosphorus oxide hpo  
424 HPO+ Hydrogen phosphorus oxide cation hpo+  
425 LiNH2 lithium amide linh2  
426 HBNH Boranimine hbnh  
427 CNH2 Aminomethylidyne radical cnh2  
428 CNH2+ N-protonated hydrogen isocyanide cnh2+  
429 H2CN Dihydrogen cyanide radical h2cn  
430 H2CN+ hydrocyanonium cation h2cn+  
431 HCNH methyleneazane hcnh  
432 HCNH+ N-protonated HCN hcnh+  
433 H2NN Isodiazene h2nn  
434 N2H2 (E)-diazene n2h2  
435 N2H2 (Z)-Diazene n2h2z  
436 N2H2+ trans-diazene cation n2h2+  
437 CH2NH Methanimine ch3n  
438 CH2NH+ Methanimine cation ch2nh+  
439 CHNH2 aminomethylene chnh2  
440 CHNH2+ Aminocarbene cation chnh2+  
441 CH2PH Phosphaethene ch3p  
442 BH2NH2 Boranamine bh2nh2  
443 CH2NH2+ methyleneamine cation ch2nh2+  
444 N2H4 Hydrazine n2h4  
445 N2H4+ hydrazine cation n2h4+  
446 P2H4 Diphosphine p2h4  
447 CH3NH2 methyl amine ch3nh2  
448 CH3NH2+ methyl amine cation ch3nh2+  
449 CH3PH2 Methyl phosphine ch3ph2  
450 SiH3NH2 Silane, amino sih3nh2  
451 N2H5+ protonated hydrazine n2h5+  
452 BH3PH3 borane phosphine bh3ph3  
453 BH3NH3 borane ammonia bh3nh3  
454 CH3NH3 methyl ammonium radical ch3nh3  
455 CH3NH3+ protonated methylamine ch3nh3+  
456 CH3PH3+ methyl phosphine, protonated ch3ph3+  
457 NH3NH3 Ammonia Dimer nh3nh3  
458 N2H7+ ammonia ammonium dimer n2h7+  
459 LiO lithium oxide lio  
460 LiO- lithium oxide anion lio-  
461 LiO+ lithium oxide cation lio+  
462 LiS Lithium monosulfide lis  
463 LiS+ Lithium sulfide cation lis+  
464 NaO sodium monoxide nao  
465 NaO- sodium oxide anion nao-  
466 NaO+ sodium oxide cation nao+  
467 KO Potassium monoxide ko  
468 KO+ Potassium monoxide cation ko+  
469 NaS Sodium sulfide nas  
470 CuO Copper Monoxide cuo  
471 LiSe Lithium monoselenide lise  
472 BeO beryllium oxide beo  
473 BeO- Beryllium monoxide anion beo-  
474 BeO+ Beryllium monoxide cation beo+  
475 BeS beryllium sulfide bes  
476 MgO magnesium oxide mgo  
477 MgO- magnesium oxide anion mgo-  
478 MgO+ magnesium oxide cation mgo+  
479 CaO Calcium monoxide cao  
480 MgS magnesium sulfide mgs  
481 MgS- magnesium sulfide anion mgs-  
482 MgS+ magnesium sulfide cation mgs+  
483 CaS Calcium sulfide cas  
484 ZnO zinc monoxide zno  
485 ZnS Zinc sulfide zns  
486 BeS- Beryllium monosulfide anion bes-  
487 BeS+ Beryllium monosulfide cation bes+  
488 BO boron monoxide bo  
489 BO- boron monoxide anion bo-  
490 AlO Aluminum monoxide alo  
491 AlO- Aluminum monoxide anion alo-  
492 AlO+ aluminum monoxide cation alo+  
493 BS boron sulfide bs  
494 BS- boron monosulfide anion bs-  
495 BS+ boron monosulfide cation bs+  
496 AlS Aluminum sulfide als  
497 AlS- aluminum monosulfide anion als-  
498 AlS+ aluminum monosulfide cation als+  
499 ScO Scandium monoxide sco  
500 GaO Gallium monoxide gao  
501 GaS Gallium monosulfide gas  
502 BO+ boron monoxide cation bo+  
503 CO Carbon monoxide co  
504 CO- carbon monoxide anion co-  
505 CO+ carbon monoxide cation co+  
506 CS carbon monosulfide cs  
507 CS- carbon monosulfide anion cs-  
508 CS+ carbon monosulfide cation cs+  
509 SiO Silicon monoxide sio  
510 SiO- silicon monoxide anion sio-  
511 SiO+ silicon monoxide cation sio+  
512 SiS silicon monosulfide sis  
513 SiS- silicon monosulfide anion sis-  
514 SiS+ silicon monosulfide cation sis+  
515 TiO Titanium monoxide tio  
516 CSe Carbon monoselenide cse  
517 CSe- Carbon monoselenide anion cse-  
518 CSe+ Carbon monoselenide cation cse+  
519 GeO Germanium monoxide geo  
520 GeO+ Germanium monoxide cation geo+  
521 GeS Germanium monosulfide ges  
522 SiSe Silicon Monoselenide sise  
523 SiSe+ Silicon Monoselenide cation sise+  
524 GeSe Germanium monoselenide gese  
525 NO- nitric oxide anion no-  
526 NO+ nitric oxide cation no+  
527 NS Mononitrogen monosulfide ns  
528 NS- nitrogen sulfide anion ns-  
529 NS+ nitrogen sulfide cation ns+  
530 PO Phosphorus monoxide po  
531 PO- phosphorus monoxide anion po-  
532 PO+ phosphorus monoxide cation po+  
533 PS phosphorus sulfide ps  
534 PS- phosphorus monosulfide anion ps-  
535 PS+ phosphorus monosulfide cation ps+  
536 VO Vanadium monoxide vo  
537 AsO Arsenic monoxide aso  
538 NSe Nitrogen monoselenide nse  
539 AsS Arsenic monosulfide ass  
540 PSe Phosphorus monoselenide pse  
541 AsSe Arsenic monoselenide asse  
542 O2- oxygen diatomic anion o2-  
543 O2-- dioxygen dianion o2--  
544 O2+ diatomic oxygen cation o2+  
545 SO Sulfur monoxide so  
546 SO- sulfur monoxide anion so-  
547 SO+ sulfur monoxide cation so+  
548 S2 Sulfur diatomic s2  
549 S2- sulfur diatomic anion s2-  
550 S2+ sulfur diatomic cation s2+  
551 SeO Selenium monoxide seo  
552 SeO- selenium monoxide anion seo-  
553 SeO+ selenium monoxide cation seo+  
554 SeS Selenium monosulfide ses  
555 SeS- selenium monosulfide anion ses-  
556 SeS+ selenium monosulfide cation ses+  
557 TeO Tellurium monoxide teo  
558 Se2 Selenium diatomic se2  
559 Se2- selenium diatomic anion se2-  
560 Se2+ selenium diatomic cation se2+  
561 Te2 Tellurium diatomic te2  
562 LiOH lithium hydroxide lioh  
563 NaOH sodium hydroxide naoh  
564 KOH Potassium hydroxide koh  
565 BeOH beryllium monohydroxide beoh  
566 MgOH magnesium hydroxide mgoh  
567 CaOH Calcium monohydroxide caoh  
568 HBO Boron hydride oxide hbo  
569 HBS hydrogen boron sulfide hbs  
570 COH Hydroxymethylidyne coh  
571 COH+ Carbon Monoxide, protonated coh+  
572 HCO Formyl radical hco  
573 HCO- formyl anion hco-  
574 HCO+ Formyl cation hco+  
575 HCS Thioformyl radical hcs  
576 HCS- Thioformyl anion hcs-  
577 HCS+ Thioformyl cation hcs+  
578 HNO Nitrosyl hydride hno  
579 HNO- Nitrosyl hydride anion hno-  
580 HNO+ Nitrosyl hydride cation hno+  
581 NOH Hydroxyimidogen noh  
582 NOH+ O-protonated nitric oxide noh+  
583 HNS Sulfur imide hns  
584 HNS- Sulfur imide anion hns-  
585 HO2 Hydroperoxy radical ho2  
586 HO2- Hydroperoxy anion ho2-  
587 HO2+ Hydroperoxy cation ho2+  
588 HSO+ Sulfur Monoxide, S-protonated HSO+  
589 SOH Sulfur Hydroxide soh  
590 SOH+ Sulfur Monoxide, protonated soh+  
591 HS2 Thiosulfeno radical hs2  
592 H2CO Formaldehyde h2co  
593 H2CO- formaldehyde anion h2co-  
594 H2CO+ formaldehyde cation h2co+  
595 HOCH hydroxycarbene hoch  
596 H2CS Thioformaldehyde h2cs  
597 H2CS- thioformaldehyde anion h2cs-  
598 H2CS+ thioformaldehyde cation h2cs+  
599 H2CSe Selenoformaldehyde h2cse  
600 H2NO nitroxide h2no  
601 H2O2 Hydrogen peroxide h2o2  
602 H2O2+ Hydrogen peroxide cation h2o2+  
603 H2OO water oxide h2oo  
604 HOSH hydrogen thioperoxide hosh  
605 H2S2 Disulfane h2s2  
606 H2S2+ hydrogen disulfide cation h2s2+  
607 H2Se2 hydrogen diselenide h2se2  
608 CH2OH Hydroxymethyl radical ch2oh  
609 CH2OH+ hydroxymethyl cation ch2oh+  
610 CH3O Methoxy radical ch3o  
611 CH3O- methoxy anion ch3o-  
612 CH3O+ Methoxy cation ch3o+  
613 CH3S thiomethoxy ch3s  
614 H2CSH+ Thioformaldehyde, protonated h2csh+  
615 NH2OH hydroxylamine nh2oh  
616 NH2OH+ Hydroxylamine cation nh2oh+  
617 NH3O Ammonia Oxide nh3o  
618 H2POH Phosphinous acid h2poh  
619 H3PO Phosphine oxide h3po  
620 NH2SH Thiohydroxylamine nh2sh  
621 NH3S sulfidoazane nh3s  
622 H3O2+ hydrogen peroxide, protonated h3o2+  
623 CH3OH Methyl alcohol ch3oh  
624 CH3OH- Methyl alcohol anion ch3oh-  
625 CH3OH+ Methyl alcohol cation ch3oh+  
626 CH3SH Methanethiol ch3sh  
627 CH3SH+ Methanethiol cation ch3sh+  
628 SiH3OH silanol sih3oh  
629 CH3SeH Methane selenol ch3seh  
630 NH2OH2+ protonated hydroxylamine nh2oh2+  
631 NH3OH+ N-protonated hydroxylamine nh3oh+  
632 H2OH2O water dimer h2oh2o  
633 CH3OH2+ Methanol, protonated ch3oh2+  
634 CH3SH2+ protonated methylsulfide ch3sh2+  
635 H2ONH3 Water Ammonia Dimer h2onh3  
636 H5O2+ Dihydroxonium ion h5o2+  
637 LiF lithium fluoride lif  
638 LiCl lithium chloride licl  
639 LiCl- lithium chloride anion licl-  
640 LiCl+ lithium chloride cation licl+  
641 NaF sodium fluoride naf  
642 NaF- sodium fluoride anion naf-  
643 NaF+ sodium fluoride cation naf+  
644 KF Potassium Fluoride kf  
645 NaCl Sodium Chloride nacl  
646 NaCl- sodium chloride anion nacl-  
647 NaCl+ sodium chloride cation nacl+  
648 KCl Potassium Chloride kcl  
649 CuF Copper monofluoride cuf  
650 LiBr Lithium Bromide libr  
651 LiBr- lithium bromide anion libr-  
652 LiBr+ lithium bromide cation libr+  
653 CuCl Copper monochloride cucl  
654 NaBr Sodium Bromide nabr  
655 NaBr- sodium bromide anion nabr-  
656 NaBr+ sodium bromide cation nabr+  
657 KBr Potassium Bromide kbr  
658 LiI Lithium Iodide lii  
659 NaI Sodium Iodide nai  
660 KI Potassium Iodide ki  
661 LiF- lithium fluoride anion lif-  
662 LiF+ lithium fluoride cation lif+  
663 BeF Beryllium monofluoride bef  
664 BeF- Beryllium monofluoride anion bef-  
665 BeF+ Beryllium monofluoride cation bef+  
666 BeCl beryllium monochloride becl  
667 MgF Magnesium monofluoride mgf  
668 MgF- magnesium fluoride anion mgf-  
669 MgF+ magnesium fluoride cation mgf+  
670 CaF Calcium monofluoride caf  
671 MgCl magnesium monochloride mgcl  
672 MgCl- magnesium monochloride anion mgcl-  
673 MgCl+ magnesium monochloride cation mgcl+  
674 CaCl calcium monochloride cacl  
675 TiCl Titanium Monochloride ticl  
676 ZnF Zinc monofluoride znf  
677 ZnF- Zinc monofluoride anion znf-  
678 ZnF+ Zinc monofluoride cation znf+  
679 ZnCl Zinc monochloride zncl  
680 CaBr Calcium monobromide cabr  
681 BeCl- beryllium monochloride anion becl-  
682 BeCl+ beryllium monochloride cation becl+  
683 BF Boron monofluoride bf  
684 BF- Boron monofluoride anion bf-  
685 BF+ Boron monofluoride cation bf+  
686 AlF Aluminum monofluoride alf  
687 AlF- Aluminum monofluoride anion alf-  
688 AlF+ Aluminum monofluoride cation alf+  
689 BCl boron monochloride bcl  
690 BCl- boron monochloride anion bcl-  
691 BCl+ boron monochloride cation bcl+  
692 AlCl Aluminum monochloride alcl  
693 AlCl- aluminum monochloride anion alcl-  
694 AlCl+ aluminum monochloride cation alcl+  
695 ScF Scandium monofluoride scf  
696 BBr Boron monobromide bbr  
697 GaF Gallium monofluoride gaf  
698 GaF+ Gallium monofluoride cation gaf+  
699 AlBr Aluminum monobromide albr  
700 GaCl Gallium monochloride gacl  
701 GaCl+ Gallium monochloride cation gacl+  
702 AlI Aluminum monoiodide ali  
703 GaBr Gallium monobromide gabr  
704 CF Fluoromethylidyne cf  
705 CF- carbon monofluoride anion cf-  
706 CF+ carbon monofluoride cation cf+  
707 CCl carbon monochloride ccl  
708 CCl- carbon monochloride anion ccl-  
709 CCl+ carbon monochloride cation ccl+  
710 SiF silicon monofluoride sif  
711 SiF- silicon monofluoride anion sif-  
712 SiF+ silicon monofluoride cation sif+  
713 SiCl Clorosilylidyne sicl  
714 SiCl- silicon monochloride anion sicl-  
715 SiCl+ silicon monochloride cation sicl+  
716 CBr Carbon monobromide cbr  
717 GeF Germanium monofluoride gef  
718 GeF+ Germanium monofluoride cation gef+  
719 GeCl Germanium monochloride gecl  
720 GeCl+ Germanium monochloride cation gecl+  
721 SiBr Silicon monobromide sibr  
722 SiBr+ Silicon monobromide cation sibr+  
723 NF nitrogen fluoride nf  
724 NF- nitrogen monofluorine anion nf-  
725 NF+ nitrogen monofluoirde cation nf+  
726 NCl nitrogen monochloride ncl  
727 NCl- nitrogen monochloride anion ncl-  
728 NCl+ nitrogen monochloride cation ncl+  
729 PF phosphorus monofluoride pf  
730 PF- phosphorus monofluoride anion pf-  
731 PF+ phosphorus monofluoride cation pf+  
732 PCl phosphorus chloride pcl  
733 PCl- phosphorus monochloride anion pcl-  
734 PCl+ phosphorus monochloride cation pcl+  
735 AsF Arsenic monofluoride asf  
736 NBr nitrogen monobromide nbr  
737 AsCl Arsenic monochloride ascl  
738 PBr Phosphorus monobromide pbr  
739 SbF Antimony monofluoride sbf  
740 SbCl Antimony monochloride sbcl  
741 FO Oxygen monofluoride fo  
742 FO- flourine oxide anion fo-  
743 FO+ fluorine monoxide cation fo+  
744 ClO Monochlorine monoxide clo  
745 ClO- chlorine monoxide anion clo-  
746 ClO+ chlorine monoxide cation clo+  
747 SF Monosulfur monofluoride sf  
748 SF- sulfur monofluoride anion sf-  
749 SF+ sulfur monofluoride cation sf+  
750 SCl sulfur monochloride scl  
751 SCl- sulfur monochloride anion scl-  
752 SCl+ sulfur monochloride cation scl+  
753 BrO Bromine monoxide bro  
754 BrO- Bromine monoxide anion bro-  
755 BrO+ Bromine monoxide cation bro+  
756 SeF Selenium monofluoride sef  
757 SBr Sulfur monobromide radical sbr  
758 SBr+ Sulfur monobromide cation sbr+  
759 SeCl Selenium monochloride secl  
760 IO Iodine monoxide io  
761 SeBr Selenium monobromide sebr  
762 BrCl Bromine monochloride brcl  
763 F2 Fluorine diatomic f2  
764 F2- flourine diatomic anion f2-  
765 F2+ flourine diatomic cation f2+  
766 ClF Chlorine monofluoride clf  
767 ClF- clorine monofluoride anion clf-  
768 ClF+ clorine monofluoride cation clf+  
769 Cl2 Chlorine diatomic cl2  
770 Cl2- chlorine diatomic anion cl2-  
771 Cl2+ chlorine diatomic cation cl2+  
772 BrF Bromine monofluoride brf  
773 BrF- bromine fluoride anion brf-  
774 BrF+ bromine fluoride cation brf+  
775 BrCl- bromine chloride anion brcl-  
776 BrCl+ bromine chloride cation brcl+  
777 IF Iodine monofluoride if  
778 Br2 Bromine diatomic br2  
779 Br2- bromine diatomic anion br2-  
780 Br2+ bromine diatomic cation br2+  
781 ICl Iodine monochloride icl  
782 IBr Iodine monobromide ibr  
783 I2 Iodine diatomic i2  
784 I2+ Iodine diatomic cation i2+  
785 HCF Fluoromethylene hcf  
786 HCCl Chloromethylene hccl  
787 HSiF fluorosilylene hsif  
788 HSiCl Chlorosilylene hsicl  
789 HSiBr monobromosilylene hsibr  
790 CHBr bromomethylene chbr  
791 HOF Hypofluorous acid hfo  
792 DOCl Hypochlorous acid-d docl  
793 HOCl hypochlorous acid hocl  
794 HOCl+ hypochlorous acid cation hocl+  
795 HOBr Hypobromous acid hobr  
796 HOBr+ Hypobromous acid cation hobr+  
797 HOI Hypoiodous acid hoi  
798 F2H+ Fluorine, protonated f2h+  
799 FHF Hydrogen difluoride fhf  
800 FHF- Hydrogen difluoride anion fhf-  
801 ClFH+ Chlorine fluoride, F-protonated clfh+  
802 FClH+ Chlorine fluoride, Cl-protonated fclh+  
803 Cl2H+ Chlorine, protonated cl2h+  
804 CH2Br bromomethyl radical ch2br  
805 CH2F fluoromethyl radical ch2f  
806 CH2F+ fluoromethyl cation ch2f+  
807 CH2Cl+ chloromethyl cation ch2cl+  
808 CH2Cl chloromethyl radical ch2cl  
809 NH2F monofluoroamine nh2f  
810 NH2Cl chloramine nh2cl  
811 H2F2 Hydrogen fluoride dimer h2f2  
812 CH3F+ methyl fluoride cation ch3f+  
813 CD3F methylfluoride-d3 cd3f  
814 CH3F Methyl fluoride ch3f  
815 CD3Cl methyl chloride d3 cd3cl  
816 CH3Cl Methyl chloride ch3cl  
817 CH3Cl+ Methyl chloride cation ch3cl+  
818 SiH3F monofluorosilane sih3f  
819 SiH3Cl chlorosilane sih3cl  
820 CH3Br methyl bromide ch3br  
821 GeH3F monofluorogermane geh3f  
822 GeH3Cl monochlorogermane geh3cl  
823 SiH3Br bromosilane sih3br  
824 CH3I methyl iodide ch3i  
825 SiH3I Silyl Iodide sih3i  
826 NH3Cl+ protonated monochloroammonia nh3cl+  
827 CH3ClH+ methyl chloride, protonated ch3clh+  
828 NH4Cl Ammonium chloride nh4cl  
829 LiNe+ Lithium Neon cation line+  
830 Ne2 Neon diatomic ne2  
831 Ne2+ Neon diatomic cation ne2+  
832 Ar2 Argon diatomic ar2  
833 Ar2+ Argon diatomic cation ar2+  
834 Li3 Lithium trimer li3  
835 Li3+ Lithium trimer cation li3+  
836 C3 carbon trimer c3  
837 C3+ carbon trimer cation c3+  
838 SiC2 Silicon dicarbide sic2  
839 C3H3 cyclopropenyl radical cpr  
840 C3H3 Propargyl radical propargyl  
841 C3H3- Propargyl anion c3h3-  
842 C3H3+ cyclopropenyl cation cpr+  
843 C3H3+ Propargyl cation c3h3+  
844 C3H4 cyclopropene cprop  
845 CH2CCH2 allene allene  
846 CH3CCH propyne propyne  
847 C3H5 Allyl radical allyl  
848 C3H5+ Allyl cation allyl+  
849 CH3CHCH 1-propenyl radical ch3chch  
850 Zn(CH3)2 dimethyl zinc dmz  
851 C3H6 Cyclopropane c3h6  
852 CH2CHCH3 Propene propene  
853 C3H7 n-Propyl radical npropyl  
854 C3H7+ cyclopropane, protonated c3h7+  
855 CH3CHCH3 Isopropyl radical isopropyl  
856 CH3CHCH3+ Isopropyl cation prop2yl+  
857 C3H8 Propane propane  
858 SiH2(CH3)2 dimethylsilane dms  
859 Si3H8 trisilane si3h8  
860 LiCN lithium cyanide licn  
861 NaCN Sodium Cyanide nacn  
862 KCN Potassium cyanide kcn  
863 CuCN Copper cyanide cucn  
864 ZnCN Zinc monocyanide zncn  
865 ZnNC Zinc isocyanide znnc  
866 AlCN Aluminum monocyanide alcn  
867 AlNC Aluminum isocyanide alnc  
868 CN2 3H-Diazirin-3-ylidene cn2  
869 CNN Diazocarbene cnn  
870 NCN Cyanoimidogen ncn  
871 N3 azide radical n3  
872 N3- azide anion n3-  
873 N3+ azide cation n3+  
874 HCCN cyanomethylene hccn  
875 HCNN diazomethyl radical hcnn  
876 HN3 hydrogen azide hn3  
877 HN3+ Hydrazoic acid cation hn3+  
878 HNCNH diiminomethane hncnh  
879 CH2N2 diazirine ch2n2  
880 CH2NN diazomethane ch2nn  
881 NH2CN cyanamide cyanamide  
882 HNNNH+ 1,2-Triazadienium n2h3+  
883 NH2NN+ hydrazoic acid, protonated nh2nn+  
884 CH3CN Acetonitrile ch3cn  
885 CH3CN- acetonitrile anion ch3cn-  
886 CH3CN+ Acetonitrile cation ch3cn+  
887 CH3NC methyl isocyanide ch3nc  
888 CHNCH2 2H-Azirine c157164  
889 CHNHCH 1H-Azirine chnhch  
890 H2CCNH Ethenimine ch2cnh  
891 H2CNCH methyleneaminomethylene ch2nch  
892 HCCNH2 Ethynamine hccnh2  
893 HCNCH2+ 2H-Azirine cation hcnch2+  
894 HNCNH2+ diiminomethane, protonated hncnh2+  
895 NCNH3+ Cyanamide, protonated ncnh3+  
896 NH2CNH+ cyanamide, cn protonated nh2cnh+  
897 NH3CN+ cyanamide, amine protonated nh3cn+  
898 CH2CHNH vinylazine ch2chnh  
899 CH3CHN methylmethaniminyl radical ch3chn  
900 NHCHNH2 aminomethanimine cn2h4  
901 C2H5N Aziridine c2h5n  
902 CH2CHNH2 aminoethene aminoethene  
903 CH2NCH3 N-methylmethanimine nmm  
904 CH3CHNH ethanimine ethanimine  
905 NH2BHNH2 diaminoborane nh2bhnh2  
906 C2H5NH+ Protonated Aziridine c2h5nh+  
907 C2H6N+ aziridine, protonated c2h6n+  
908 NH2CH2NH2 diaminomethane nh2ch2nh2  
909 CH3CH2NH2 Ethylamine etam  
910 CH3NHCH3 Dimethylamine ch3nhch3  
911 CH3PHCH3 dimethylphosphine ch3phch3  
912 NH2CH2NH3+ diaminoethane, protonated pdam  
913 (CH3)2NH2+ dimethylammonium cation dmam  
914 CH3CH2NH3+ ethylamine, protonated pea  
915 Li2O dilithium oxide li2o  
916 Li2O+ dilithium oxide cation li2o+  
917 Li2S dilithium sulfide li2s  
918 Na2O disodium monoxide na2o  
919 Na2S Sodium sulfide na2s  
920 LiO2 Lithium dioxide lio2  
921 NaO2 Sodium superoxide nao2  
922 CCO Dicarbon monoxide cco  
923 CNO- fulminate cno-  
924 NCO isocyanato radical nco  
925 NCO- cyanate nco-  
926 SCN thiocyanato radical scn  
927 SCN- thiocyanide anion scn-  
928 BO2 Boron dioxide bo2  
929 BO2- Boron dioxide anion bo2-  
930 BO2+ Boron dioxide cation bo2+  
931 N2O Nitrous oxide n2o  
932 N2O- Nitrous oxide anion n2o-  
933 N2O+ Nitrous oxide cation n2o+  
934 NNS Nitrogen sulfide nns  
935 PPO Phosphorus oxide phosphide ppo  
936 CO2 Carbon dioxide co2  
937 CO2- Carbon dioxide anion co2-  
938 CO2+ Carbon dioxide cation co2+  
939 OCS Carbonyl sulfide cos  
940 OCS+ Carbonyl sulfide cation cos+  
941 SiO2 silicon dioxide sio2  
942 CS2 Carbon disulfide cs2  
943 CS2- Carbon disulfide anion cs2-  
944 CS2+ Carbon disulfide cation cs2+  
945 TiO2 Titanium dioxide tio2  
946 SiS2 Silicon disulfide sis2  
947 GeO2 Germanium dioxide geo2  
948 OCSe Carbonyl selenide ocse  
949 SCSe Carbon sulfide selenide scse  
950 GeS2 Germanium disulfide ges2  
951 CSe2 Carbon diselenide cse2  
952 SCTe Carbon sulfide Telluride scte  
953 NO2 Nitrogen dioxide no2  
954 NO2- Nitrogen dioxide anion no2-  
955 NO2+ Nitrogen dioxide cation no2+  
956 NSO sulfinyl amidogen NSO  
957 PO2 Phosphorus dioxide po2  
958 PO2- Phosphorus dioxide anion po2-  
959 PO2+ Phosphorus dioxide cation po2+  
960 SNO Nitrogen oxide sulfide sno  
961 AsO2 Aresenic dioxide aso2  
962 O3 Ozone o3  
963 O3- Ozone anion o3-  
964 O3+ Ozone cation o3+  
965 SO2 Sulfur dioxide so2  
966 SO2- Sulfur dioxide anion so2-  
967 SO2+ Sulfur dioxide cation so2+  
968 SSO Disulfur monoxide sso  
969 S3 Sulfur trimer s3  
970 S3- Sulfur trimer anion s3-  
971 S3+ Sulfur trimer cation s3+  
972 SeO2 Selenium dioxide seo2  
973 SeO2+ Selenium dioxide cation seo2+  
974 TeO2 Tellurium Dioxide teo2  
975 HCCO ketenyl radical ketenyl  
976 CS2H+ Carbon disulfide, protonated cs2h+  
977 HCNO fulminic acid hcno  
978 HNCO Isocyanic acid hnco  
979 HOCN cyanic acid hocn  
980 HNCS Isothiocyanic acid hncs  
981 HSCN thiocyanic acid hscn  
982 HCO2- formate anion hco2-  
983 HNNO nitrosoazane hnno  
984 HNNO+ Nitrous oxide, N-protonated hnno+  
985 NNOH+ Nitrous Oxide, O-protonated nnoh+  
986 HCOO formate neutral radical hcoo  
987 HOCO Hydrocarboxyl radical hoco  
988 HOCO+ Hydrocarboxyl cation hoco+  
989 HNO2 Nitrous acid hno2  
990 HNO2+ nitrous acid cation hno2+  
991 O3H+ protonated ozone o3h+  
992 SO2H+ protonated sulfur dioxide so2h+  
993 C2H2O Oxirene oxirene  
994 CH2CO Ketene ch2co  
995 CH2CO+ Ketene cation ch2co+  
996 HCCOH ethynol hccoh  
997 CH2CS Thioketene ch2cs  
998 Be(OH)2 Beryllium hydroxide beo2h2  
999 Mg(OH)2 Magnesium dihydroxide h2mgo2  
1000 NH2NO Nitrosamide nh2no  
1001 CH2O2 Dioxirane diox  
1002 H2COO Dioxymethyl radical h2coo  
1003 H2COO+ dioxymethyl cation h2coo+  
1004 HCOOH Formic acid ch2o2  
1005 H2O3 Hydrogen trioxide h2o3  
1006 HSSSH trisulfane hsssh  
1007 NaOCH3 Sodium methoxide naoch3  
1008 CH2BOH hydroxy(methylene)borane ch2boh  
1009 BH3CO Borane carbonyl bh3co  
1010 CH3BO Borane, methyloxo- ch3bo  
1011 CH2CHO Vinyloxy radical ch2cho  
1012 CH2COH+ ketene, protonated ch2coh+  
1013 CH3CO Acetyl radical ch3co  
1014 CH3CO- Acetyl anion ch3co-  
1015 CH3CO+ acetyl cation ch3co+  
1016 CH2NOH formaldoxime ch2noh  
1017 CH3NO nitrosomethane ch3no  
1018 CHONH2 formamide formamide  
1019 CNOH3 1,2-oxaziridine cnoh3  
1020 HOCHNH hydroxymethylimine hochnh  
1021 CHSNH2 thioformamide chsnh2  
1022 NHCHSH Methanimidothioic acid nhchsh  
1023 CH2OOH CH2OOH radical ch2ooh  
1024 CH3OO methylperoxy radical ch3oo  
1025 CH3OO- methylperoxy anion ch3oo-  
1026 CH3OO+ methylperoxy cation ch3oo+  
1027 C2H4O Ethylene oxide c2h4o  
1028 C2H4O+ ethylene oxide cation c2h4o+  
1029 CH2CHOH ethenol ch2choh  
1030 CH3CHO Acetaldehyde ch3cho  
1031 CH3CHO+ acetaldehyde cation ch3cho+  
1032 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
1033 C2H4S Thiirane thiirane  
1034 CH2CHSH Ethenethiol ch2chsh  
1035 CH3CHS Thioacetaldehyde ch3chs  
1036 H2CONH2+ protonated formamide h2conh2+  
1037 NH2CHOH+ Formamide, O-protonated nh2choh+  
1038 NH3CHO+ Formamide, N-Protonated nh3cho+  
1039 CH2(OH)2 methanediol ch2o2h2  
1040 CH3OOH Methyl peroxide ch3ooh  
1041 CH3SSH Hydrogen methyl disulfide ch3ssh  
1042 HSCH2SH Methanedithiol ch4s2  
1043 H2OH2CO water formaldehyde dimer h2oh2co  
1044 C2H4OH+ ethylene oxide, protonated c2h4oh+  
1045 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1046 CH3CH2O Ethoxy radical ethoxy  
1047 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1048 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1049 CH3OCH2 methoxymethyl radical ch3och2  
1050 NH2CH2OH aminomethanol nh2ch2oh  
1051 CH3CH2OH Ethanol etoh  
1052 CH3OCH3 Dimethyl ether meome  
1053 CH3CH2SH ethanethiol etsh  
1054 CH3SCH3 Dimethyl sulfide mesme  
1055 CH3SCH3+ dimethyl sulfide cation mesme+  
1056 CH3SeCH3 dimethylselenide dmse  
1057 CH3OHH2O methanol water dimer ch3ohh2o  
1058 H2OCH3OH water methanol dimer h2och3oh  
1059 CuF2 Copper difluoride cuf2  
1060 ZnF2 Zinc difluoride znf2  
1061 CNF iso cyanogen fluoride cnf  
1062 FCN Cyanogen fluoride fcn  
1063 ClCN chlorocyanogen clcn  
1064 BrCN Cyanogen bromide brcn  
1065 ICN Cyanogen iodide icn  
1066 FBO Boron monofluoride monoxide fbo  
1067 BeF2 Beryllium fluoride bef2  
1068 MgF2 Magnesium fluoride mgf2  
1069 BeCl2 Beryllium chloride becl2  
1070 MgCl2 Magnesium dichloride mgcl2  
1071 CaCl2 Calcium Chloride cacl2  
1072 ZnCl2 Zinc dichloride zncl2  
1073 BeBr2 Beryllium bromide bebr2  
1074 CaBr2 Calcium dibromide cabr2  
1075 CaF2 Calcium difluoride caf2  
1076 FCO Carbonyl fluoride fco  
1077 FCO+ Carbonyl fluoride cation fco+  
1078 ClCO carbonyl monochloride clco  
1079 BF2 Boron difluoride radical bf2  
1080 FNO Nitrosyl fluoride fno  
1081 ClNO Nitrosyl chloride clno  
1082 FNS Thionitrosyl fluoride fns  
1083 FSN Thiazyl fluoride fsn  
1084 OPCl Phosphorus oxychloride opcl  
1085 BrNO Nitrosyl bromide brno  
1086 INO Nitrosyl iodide ino  
1087 CF2 Difluoromethylene cf2  
1088 CF2- Difluoromethylene anion cf2-  
1089 CF2+ Difluoromethylene cation cf2+  
1090 CFCl chlorofluoromethylene cfcl  
1091 SiF2 Silicon difluoride sif2  
1092 SiF2+ Silicon difluoride cation sif2+  
1093 CCl2 dichloromethylene ccl2  
1094 CCl2- dichloromethylene anion ccl2-  
1095 CCl2+ dichloromethylene cation ccl2+  
1096 SiCl2 Dichlorosilylene sicl2  
1097 GeF2 Germanium difluoride gef2  
1098 GeCl2 Germanium dichloride gecl2  
1099 CBr2 dibromomethylene cbr2  
1100 FOO Dioxygen monofluoride radical foo  
1101 FOO+ Fluorine dioxide cation foo+  
1102 ClOO chloroperoxy radical cloo  
1103 ClOO+ chloroperoxy cation cloo+  
1104 OClO Chlorine dioxide oclo  
1105 OClO- Chlorine dioxide anion oclo-  
1106 OClO+ Chlorine dioxide cation oclo+  
1107 ClSO Sulfur chloride oxide clso  
1108 ClS2 Sulfur chloride cls2  
1109 BrOO Bromine dioxide broo  
1110 OBrO Bromine dioxide radical obro  
1111 NF2 Difluoroamino radical nf2  
1112 NF2+ Difluoroamino cation nf2+  
1113 PF2 Phosphorus difluoride pf2  
1114 PF2+ Phosphorus difluoride cation pf2+  
1115 FClO chlorosyl fluoride fclo  
1116 F2O Difluorine monoxide f2o  
1117 ClOF Chlorine hypofluorite clof  
1118 SF2 sulfur difluoride sf2  
1119 SF2- sulfur difluoride anion sf2-  
1120 SF2+ sulfur difluoride cation sf2+  
1121 Cl2O Dichlorine monoxide cl2o  
1122 SCl2 Sulfur dichloride scl2  
1123 SeF2 Selenium difluoride sef2  
1124 BrOCl Bromine hypochlorite brocl  
1125 SeCl2 Selenium Dichloride secl2  
1126 SBr2 Sulfur dibromide sbr2  
1127 SeBr2 Selenium dibromide sebr2  
1128 BrOBr Bromine oxide brobr  
1129 F3- trifluoride anion f3-  
1130 Cl3- trichloride anion cl3-  
1131 Br3- tribromide anion br3-  
1132 I3- triiodide i3-  
1133 SFCl Sulfur chloride fluoride sfcl  
1134 HCCF Fluoroacetylene hccf  
1135 HCCF+ fluoroacetylene cation hccf+  
1136 HCCCl Chloroacetylene hcccl  
1137 HCCBr bromoacetylene hccbr  
1138 HFCO formyl fluoride hfco  
1139 HFCO+ formyl fluoride cation hfco+  
1140 COHCl Formyl chloride cohcl  
1141 COHBr Formyl bromide cohbr  
1142 BHF2 Difluoroborane bhf2  
1143 BHCl2 Borane, dichloro- bhcl2  
1144 CHCl2 dichloromethyl radical chcl2  
1145 CHF2 difluoromethyl radical chf2  
1146 CHF2+ difluoromethyl cation chf2+  
1147 CHFCl Chlorofluoromethyl radical chfcl  
1148 CHFCl+ Chlorofluoromethyl cation chfcl+  
1149 CHCl2+ dichloromethyl cation chcl2+  
1150 CHBr2 dibromomethyl radical chbr2  
1151 HOClO Chlorous acid hoclo  
1152 NHF2 difluoramine nhf2  
1153 NHCl2 dichloroamine nhcl2  
1154 CH2F2 Methane, difluoro- ch2f2  
1155 CH2FCl fluorochloromethane ch2fcl  
1156 SiH2F2 difluorosilane sih2f2  
1157 CH2Cl2 Methylene chloride ch2cl2  
1158 CH2BrF Methane, bromofluoro- ch2fbr  
1159 CH2BrCl Methane, bromochloro- ch2clbr  
1160 CH2FI fluoroiodomethane ch2fi  
1161 CH2Br2 dibromomethane ch2br2  
1162 CH2ClI chloroiodomethane ch2cli  
1163 CH2BrI bromoiodomethane ch2bri  
1164 CH2I2 Diiodomethane ch2i2  
1165 SiH2Cl2 dichlorosilane sih2cl2  
1166 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1167 CH2CHF Ethene, fluoro- ch2chf  
1168 CH2CHF+ fluoroethene cation ch2chf+  
1169 C2H3Cl Ethene, chloro- ch2chcl  
1170 C2H3Br vinyl bromide c2h3br  
1171 C2H3I Vinyl iodide c2h3i  
1172 CH2FOH fluoromethanol ch2foh  
1173 CH3OCl methyl hypochlorite ch3ocl  
1174 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1175 CHClCH3 1-chloroethyl radical chclch3  
1176 C2H5F fluoroethane c2h5f  
1177 CH3CH2Cl Ethyl chloride c2h5cl  
1178 CH3SiFH2 fluoromethylsilane ch3sifh2  
1179 C2H5Br Ethyl bromide etbr  
1180 C2H5I Ethyl iodide c2h5i  
1181 KrF2 Krypton difluoride krf2  
1182 XeF2 Xenon difluoride xef2  
1183 B4H10 Tetraborane(10) b4h10  
1184 C4 Carbon tetramer c4  
1185 C4+ Carbon tetramer cation c4+  
1186 C4H2 Diacetylene c4h2  
1187 C4H2+ diacetlyene cation c4h2+  
1188 C2H3CCH 1-Buten-3-yne c2h3cch  
1189 C4H4 cyclobutadiene cbd  
1190 C4H4 Tetrahedrane c4h4  
1191 H2CCCCH2 Butatriene h2cccch2  
1192 C4H6 1-Methylcyclopropene c3100047  
1193 C4H6 Cyclobutene c822355  
1194 C4H6 Methylenecyclopropane c6142730  
1195 CH2CCHCH3 1,2-Butadiene butad12  
1196 CH2CHCHCH2 1,3-Butadiene c106990  
1197 CH3CCCH3 2-Butyne c503173  
1198 CHCCH2CH3 1-Butyne c107006  
1199 CH3CHCHCH2 methylallyl radical c4h7  
1200 C4H8 methylcyclopropane mcp  
1201 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1202 CH2CHCH2CH3 1-Butene bute1  
1203 CH3CHCHCH3 2-Butene, (E)- bute2e  
1204 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1205 B(CH3)3 trimethylborane bme3  
1206 Al(CH3)3 trimethyl aluminum tma  
1207 C(CH3)3 Tert-butyl radical tbutyl  
1208 CH2CH(CH3)2 Isobutyl radical isobutyl  
1209 CH3CHCH2CH3 2-Butyl radical butyl2  
1210 CH3CH(CH3)CH3 Isobutane isobutane  
1211 CH3CH2CH2CH3 Butane butane  
1212 SiH(CH3)3 trimethylsilane trimsi  
1213 Li3N trilithium nitride li3n  
1214 C2N2 Cyanogen c2n2  
1215 C2N2+ Cyanogen cation c2n2+  
1216 P4 Phosphorus tetramer p4  
1217 As4 Arsenic tetramer as4  
1218 HCCCN Cyanoacetylene hcccn  
1219 HCCCN+ Cyanoacetylene cation hcccn+  
1220 H2CNCN cyanamide, methylene ch2ncn  
1221 HNCCNH Ethenediimine hnccnh  
1222 C3H3N acrylonitrile ch2chcn  
1223 C3H3N+ acrylonitrile cation ch2chcn+  
1224 CH3N3 methyl azide ch3n3  
1225 NH2CCNH2 Diaminoacetylene daa  
1226 NH2CH2CN Aminoacetonitrile aan  
1227 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1228 C2H5CN ethyl cyanide c2h5cn  
1229 CH5N3 Guanidine guanidine  
1230 C4H6 Bicyclo[1.1.0]butane c157335  
1231 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1232 H2NCHCHNH2 diaminoethylene dae  
1233 CH6N3+ guanidinium ch6n3+  
1234 C3H7N Cyclopropylamine cpram  
1235 CH7N3 triaminomethane tam  
1236 C3H7N Azetidine azet  
1237 C4H8 cyclobutane cbutane  
1238 C2H8N2 Ethylenediamine ethdiam  
1239 CH3NHNHCH3 dimethyl hydrazine dmh  
1240 CH3CH(NH2)CH3 2-Propanamine pram2  
1241 N(CH3)3 Trimethylamine trimeam  
1242 NH2CH2CH2CH3 1-Propanamine pram1  
1243 P(CH3)3 trimethylphosphine tmp  
1244 N(SiH3)3 trisilylamine tsa  
1245 As(CH3)3 trimethyl arsine tmas  
1246 (CH3)3NH+ protonated trimethyl amine ptma  
1247 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1248 Li2O2 dilithium dioxide li2o2  
1249 Na2O2 disodium dioxide na2o2  
1250 K2O2 dipotassium dioxide k2o2  
1251 C3O Tricarbon monoxide c3o  
1252 B2O2 Diboron dioxide b2o2  
1253 ONNO NO dimer onno  
1254 S2N2 Disulfur dinitride s2n2  
1255 CO3 Carbon trioxide co3  
1256 CO3-- carbonate co3--  
1257 CS3-- Carbonotrithioate cs3--  
1258 NO3 Nitrogen trioxide no3  
1259 NO3- nitrate anion no3-  
1260 NO3+ nitrogen trioxide cation no3+  
1261 SO3 Sulfur trioxide so3  
1262 SO3- Sulfur trioxide anion so3-  
1263 SO3-- Sulfate dianion so3--  
1264 SO3+ Sulfur trioxide cation so3+  
1265 SeO3 selenium trioxide seo3  
1266 S4 Sulfur tetramer s4  
1267 TeO3 Tellurium trioxide teo3  
1268 HCO3- bicarbonate anion hco3-  
1269 HNO3 Nitric acid hno3  
1270 HSO3 Hydroxysulfonyl radical hso3  
1271 NH2NO2 nitramide nh2no2  
1272 C2H2CO cyclopropenone c2h2co  
1273 C3H2O Propadienal c3h2o  
1274 HCCCHO 2-propynal hcccho  
1275 C2H2O2 Ethanedial c2h2o2  
1276 C2H2O2+ Ethanedial cation c2h2o2+  
1277 H2CO3 Carbonic acid h2co3  
1278 H2CS3 thiocarbonic acid h2cs3  
1279 H2NO3+ Nitric Acid, Protonated h2no3+  
1280 H2SO3 Sulfurous acid h2so3  
1281 C2H3NO Nitrosoethylene c2h3no  
1282 CH3NCO methylisocyante ch3nco  
1283 HOCH2CN cyanomethanol hoch2cn  
1284 CH3COO- acetate anion ch3coo-  
1285 CH3NO2 Methane, nitro- ch3no2  
1286 CH3ONO Methyl nitrite ch3ono  
1287 NH2COOH Carbamic acid nh2cooh  
1288 H3BO3 Boric acid h3bo3  
1289 H3AlO3 Aluminum hydroxide h3alo3  
1290 H3CO3+ carbonic acid, protonated h3co3+  
1291 C3H4O 2-Propyn-1-ol c107197  
1292 C3H4O allenol c9000071  
1293 C3H4O Cyclopropanone cpone  
1294 C3H4O Methylketene c6004440  
1295 CH2CHCHO Acrolein c3h4o  
1296 NH2CONH2 Urea urea  
1297 NH2CONH2+ Urea cation urea+  
1298 NH2CSNH2 Thiourea thiourea  
1299 C2H4O2 1,3-dioxetane c2h4o2  
1300 CH3COOH Acetic acid ch3cooh  
1301 CH3OCHO methyl formate ch3ocho  
1302 CHOCH2OH hydroxy acetaldehyde haa  
1303 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1304 NH3COOH+ protonated Carbamic acid nh3cooh+  
1305 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1306 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1307 HCOOHH2O Formic acid water dimer hcoohh2o  
1308 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1309 CH3COCH2 Acetonyl radical ch3coch2  
1310 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1311 CH3C(OH)=NH Ethaninidic acid eia  
1312 CH3CHNOH Acetaldoxime acetaldoxime  
1313 CH3CONH2 Acetamide acetamide  
1314 HCONHCH3 N-methylformamide nmfa  
1315 CH3CSNH2 Ethanethioamide ch3csnh2  
1316 CH5N2O+ urea, N-protonated ch4n2o+  
1317 H2NCOHNH2+ urea, protonated ureah+  
1318 C2H5OO ethylperoxy radical c2h5oo  
1319 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1320 C3H5OH Cyclopropanol cproh  
1321 C3H6O 2-Propen-1-ol c107186  
1322 C3H6O Acetone enol enol  
1323 C3H6O Oxetane oxetane  
1324 C3H6O Propylene oxide prox  
1325 CH3CH2CHO Propanal propanal  
1326 CH3COCH3 Acetone acetone  
1327 CH3COCH3- acetone anion ch3coch3-  
1328 C3H6S Thietane thietane  
1329 C3H6S Thiirane, methyl- methiirane  
1330 CH3CSCH3 Thioacetone ch3csch3  
1331 C2H6O2 1,2-Ethanediol ethdiol  
1332 CH3OOCH3 dimethylperoxide dmp  
1333 CH3SOCH3 Dimethyl sulfoxide dmso  
1334 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1335 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1336 CH3COHCH3+ acetone, protonated acetoneh+  
1337 HOCH2CH2NH2 monoethanolamine mea  
1338 C3H7OH 1-Propanol proh  
1339 CH3CHOHCH3 Isopropyl alcohol isoproh  
1340 CH3OC2H5 Ethane, methoxy- etome  
1341 C3H7SH 1-Propanethiol prsh  
1342 CH3CHSHCH3 2-Propanethiol isoprsh  
1343 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1344 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1345 Li2F2 Lithium fluoride dimer li2f2  
1346 Na2F2 Sodium Fluoride Dimer na2f2  
1347 Na2Cl2 Disodium dichloride na2cl2  
1348 C2F2 difluoroacetylene c2f2  
1349 C2Cl2 dichloroacetylene c2cl2  
1350 C2Cl2+ dichloroacetylene cation c2cl2+  
1351 FNO2 Nitryl fluoride fno2  
1352 FONO Nitrosyl hypofluorite fono  
1353 ClNO2 Nitryl chloride clno2  
1354 ClONO chlorine nitrite clono  
1355 BrONO Bromine nitrite brono  
1356 N2F2 (Z)-Difluorodiazene n2f2_z  
1357 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1358 CF2O Carbonic difluoride f2co  
1359 CF2O+ Carbonic difluoride cation f2co+  
1360 COFCl Carbonic chloride fluoride cofcl  
1361 CCl2O Phosgene cl2co  
1362 Cl2CS Thiophosgene cl2cs  
1363 COBr2 Carbonic dibromide cobr2  
1364 BF3 Borane, trifluoro- bf3  
1365 BF3- Borane, trifluoro- anion bf3-  
1366 BF3+ boron trifluoride cation bf3+  
1367 AlF3 Aluminum trifluoride alf3  
1368 BClF2 Chlorodifluoroborane bclf2  
1369 AlF2Cl Aluminum chloride difluoride alclf2  
1370 ScF3 Scandium trifluoride ScF3  
1371 AlFCl2 Aluminum dichloride fluoride alcl2f  
1372 BCl3 Borane, trichloro- bcl3  
1373 BCl3+ Boron Trichloride cation bcl3+  
1374 GaF3 Gallium trifluoride gaf3  
1375 AlCl3 Aluminum trichloride alcl3  
1376 GaCl3 Gallium trichloride gacl3  
1377 BBr3 Boron tribromide bbr3  
1378 AlBr3 Aluminum Bromide albr3  
1379 ClO3 Chlorine trioxide clo3  
1380 ClO3- chlorate anion clo3-  
1381 BrO3- Bromate anion bro3-  
1382 CF3 Trifluoromethyl radical cf3  
1383 CF3- Trifluoromethyl anion cf3-  
1384 CF3+ Trifluoromethyl cation cf3+  
1385 CF2Cl difluorochloromethyl radical cf2cl  
1386 SiF3 Silicon trifluoride radical sif3  
1387 SiF3+ Silicon trifluoride cation sif3+  
1388 CFCl2 dichlorofluoromethyl radical cfcl2  
1389 CCl3 Trichloromethyl radical ccl3  
1390 CCl3- Trichloromethyl anion ccl3-  
1391 CCl3+ Trichloromethyl cation ccl3+  
1392 SiCl3 trichlorosilyl radical sicl3  
1393 SiCl3+ trichlorosilyl cation sicl3+  
1394 CBr3 tribromomethyl radical cbr3  
1395 FOOF Perfluoroperoxide foof  
1396 ClO2F Chloryl fluoride clo2f  
1397 F2SO Thionyl Fluoride f2so  
1398 ClOOCl Dichlorine dioxide cloocl  
1399 FSSF Difluorodisulfane fssf  
1400 S2F2 Thio-thionyl fluoride s2f2  
1401 SOCl2 thionyl chloride socl2  
1402 SSCl2 Thiothionyl chloride sscl2  
1403 SeOCl2 selenium oxychloride seocl2  
1404 NF3 Nitrogen trifluoride nf3  
1405 NF3- Nitrogen trifluoride anion nf3-  
1406 NF3+ Nitrogen trifluoride cation nf3+  
1407 PF3 Phosphorus trifluoride pf3  
1408 NCl3 nitrogen trichloride ncl3  
1409 AsF3 Arsenic trifluoride asf3  
1410 PCl3 Phosphorus trichloride pcl3  
1411 SbF3 Antimony Trifluoride sbf3  
1412 AsCl3 Arsenous trichloride ascl3  
1413 SbCl3 Antimony Trichloride sbcl3  
1414 NBr3 Nitrogen Tribromide nbr3  
1415 PBr3 Phosphorus tribromide pbr3  
1416 AsBr3 Arsenic tribromide asbr3  
1417 NI3 Nitrogen triiodide ni3  
1418 PI3 Phosphorus triiodide pi3  
1419 ClSSCl Disulfur dichloride s2cl2  
1420 SF3 Sulfur trifluoride sf3  
1421 ClF3 Chlorine trifluoride clf3  
1422 BrF3 Bromine trifluoride brf3  
1423 IF3 iodone trifluoride if3  
1424 HClO3 Chloric Acid hclo3  
1425 CHF3 Methane, trifluoro- chf3  
1426 CHF2Cl difluorochloromethane chf2cl  
1427 SiHF3 trifluorosilane sihf3  
1428 CHFCl2 fluorodichloromethane chfcl2  
1429 CDCl3 trichloromethane-d cdcl3  
1430 CHCl3 Chloroform chcl3  
1431 CHBrF2 Methane, bromodifluoro- chbrf2  
1432 SiHCl3 Trichlorosilane sihcl3  
1433 CHFClBr fluorochlorobromomethane chfclbr  
1434 CHBrCl2 Methane, bromodichloro- chbrcl2  
1435 CHF2I difluoroiodomethane chf2i  
1436 CHBr2F dibromofluoromethane chbr2f  
1437 CHFClI fluorochloroiodomethane chfcli  
1438 CHCl2I dichloroiodomethane chcl2i  
1439 CHClBr2 Methane, dibromochloro- chclbr2  
1440 CHBr3 bromoform chbr3  
1441 CHI3 Iodoform chi3  
1442 NF3H+ protonated nitrogen trifluoride nf3h+  
1443 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1444 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1445 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1446 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1447 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1448 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1449 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1450 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1451 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1452 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1453 C2H2Br2 1,1-dibromoethene c2h2br2  
1454 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1455 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1456 CH2FCHO Fluoroacetaldehyde ch2fcho  
1457 CH3COF Acetyl fluoride ch3cof  
1458 CH2ClCHO chloroacetaldehyde ch2clcho  
1459 CH3COCl Acetyl Chloride ch3cocl  
1460 C2H4F2 1,2-difluoroethane c2h4f2  
1461 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1462 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1463 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1464 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1465 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1466 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1467 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1468 CH2CFCH3 2-fluoropropene 2fpro  
1469 CH2CHCH2F Allyl Fluoride allylf  
1470 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1471 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1472 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1473 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1474 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1475 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1476 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1477 CH2FCH2CH3 1-Fluoropropane prf1  
1478 CH3CHFCH3 2-Fluoropropane prf2  
1479 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1480 CH3CHClCH3 Propane, 2-chloro- prcl2  
1481 CH3CH2CH2Br n-propyl bromide prbr  
1482 CH3CHBrCH3 i-propyl bromide iprbr  
1483 C3H9O+ trimethyl oxonium cation c3h9o+  
1484 B5H9 pentaborane9 b5h9  
1485 C5H4 pentatetraene ptrene  
1486 C5H5 cyclopentadienyl radical c5h5  
1487 C5H5- cylopentadienyl anion c5h5-  
1488 C5H6 1,3-Cyclopentadiene c542927  
1489 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1490 C5H6 3-Penten-1-yne, (E)- c2004695  
1491 C5H6 3-Penten-1-yne, (Z)- c1574409  
1492 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1493 C5H6 Cyclopropylacetylene c6746947  
1494 C5H6 Propellane propellane  
1495 C5H7 1,3-pentadienyl radical pdyl  
1496 C5H7 cyclopentenyl radical cpyl  
1497 C5H8 1,2-Butadiene, 3-methyl- c598254  
1498 C5H8 1,2-Pentadiene c591957  
1499 C5H8 1,3-Butadiene, 2-methyl- c78795  
1500 C5H8 1,3-Pentadiene, (E)- c2004708  
1501 C5H8 1,3-Pentadiene, (Z)- c1574410  
1502 C5H8 1,4-Pentadiene c591935  
1503 C5H8 1-pentyne a1pentyne  
1504 C5H8 2,3-Pentadiene c591968  
1505 C5H8 Bicyclo[1.1.1]pentane bcp  
1506 C5H8 Cyclobutane, methylene- c1120565  
1507 C5H8 Cyclopentene c142290  
1508 C5H8 Ethenylcyclopropane c693867  
1509 CH3CCCH2CH3 2-Pentyne 2pentyne  
1510 C5H10 1-Butene, 2-methyl- c563462  
1511 C5H10 2-Butene, 2-methyl- c513359  
1512 C5H10 2-Pentene, (E)- c646048  
1513 C5H10 2-Pentene, (Z)- c627203  
1514 C5H10 Cyclopentane c287923  
1515 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1516 CH2CHCH2CH2CH3 1-pentene pentene  
1517 C5H11 2-Methylbut-2-yl radical c4348350  
1518 C5H12 Butane, 2-methyl- buta2  
1519 C5H12 Pentane pentane  
1520 C5H12 Propane, 2,2-dimethyl- neopentane  
1521 Si(CH3)4 tetramethylsilane tms  
1522 N2O3 Dinitrogen trioxide n2o3  
1523 C3H2N2 Malononitrile c3h2n2  
1524 CH2N4 1H-Tetrazole 1htz  
1525 C3H3N2 imidazolyl radical im  
1526 C3H3N2- imidizolyl anion im-  
1527 C2H3N3 1H-1,2,4-Triazole c288880  
1528 C4H4N pyrrolide radical c4h4n  
1529 C4H4N- pyrrolide anion c4h4n-  
1530 C3H4N2 1H-Imidazole 1himidaz  
1531 C3H4N2 1H-Pyrazole 1hpyraz  
1532 C3H4N2 2H-Imidazole imid2h  
1533 C3H4N2 4H-Imidazole imid4h  
1534 C4H5N (E)-2-Butenenitrile c627269  
1535 C4H5N (Z)-2-Butenenitrile c1190767  
1536 C4H5N 2H-pyrrole pyrrole2  
1537 C4H5N 3H-pyrrole pyrrole3  
1538 C4H5N Cyclopropanecarbonitrile c5500210  
1539 C4H5N Pyrrole pyrrole  
1540 CH2CHCH2CN Allylcyanide ch2chch2cn  
1541 C4H6N+ pyrrole, alpha-protonated appyr  
1542 C4H6N+ pyrrole, beta-protonated bppyr  
1543 C4H6N+ pyrrole, protonated ppyr  
1544 C3H6N2 3-Aminopropionitrile c151188  
1545 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1546 CH3CH2CH2CN Butanenitrile c109740  
1547 C5H8 Bicyclo[2.1.0]pentane c185944  
1548 C5H8 Spiropentane c157404  
1549 C4H9N Cyclobutylamine cbam  
1550 C4H9N Pyrrolidine pyrrolidine  
1551 C3H10N2 1,2-Diaminopropane diampr12  
1552 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1553 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1554 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1555 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1556 NH(C2H5)2 diethylamine dea  
1557 NC4H12+ tetramethyl ammonium cation nc4h12+  
1558 C3O2 Carbon suboxide c3o2  
1559 C3O2+ Carbon suboxide cation c3o2+  
1560 B2O3 diboron trioxide b2o3  
1561 MgCO3 Magnesium Carbonate mgco3  
1562 BeCO3 Beryllium Carbonate beco3  
1563 CaCO3 Calcium Carbonate caco3  
1564 ONONO Nitrosyl nitrite onono  
1565 PO4--- phosphate po4---  
1566 SO4-- sulfate so4--  
1567 HOONO2 peroxy nitric acid hoono2  
1568 HSO4- bisulfate anion hso4-  
1569 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1570 C3H2O2 Propiolic acid c3h2o2  
1571 CHOCOOH oxo acetic acid oaa  
1572 CHOOCHO diformyl ether choocho  
1573 H2SO4 Sulfuric acid h2so4  
1574 H2SeO4 Selenic acid h2seo4  
1575 C3H3NO Isoxazole isox  
1576 C3H3NO Oxazole oxazole  
1577 C3H3NS Thiazole thiazole  
1578 CH3C(O)OO acetyl peroxy radical ch3coo2  
1579 CH3NO3 Methyl nitrate ch3no3  
1580 H3PO4 Phosphoric Acid h3po4  
1581 C4H4O Furan furan  
1582 C4H4O+ Furan cation furan+  
1583 CH3COCCH 3-butyn-2-one c1423605  
1584 C4H4S Thiophene furans  
1585 C4H4Se selenophene c4h4se  
1586 C3H4O2 β–Propiolactone beta  
1587 C3H4O2 2-Propenoic acid propenoic2  
1588 C3H4O2 Methyl glyoxal megly  
1589 C3H4O2 propanedial propanedial  
1590 C3H4O2 propenalol propenalol  
1591 HOCHCCHOH allenediol aldiol  
1592 C2H4O3 1,2,3-trioxolane c2h4o3  
1593 C2H4O3 trioxolane124 triox  
1594 HOCH2COOH Hydroxyacetic acid hac  
1595 CH2CHCONH2 Acrylamide c79061  
1596 CH3OCH2CN Methoxyacetonitrile c1738369  
1597 CH5N3S Hydrazinecarbothioamide c79196  
1598 H2NCH2COOH Glycine glycine  
1599 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1600 C4H6O cis-2-butenal butenal2c  
1601 C4H6O Cyclobutanone cbutone  
1602 C4H6O Furan, 2,3-dihydro- furan23h  
1603 C4H6O Furan, 2,5-dihydro- furan25h  
1604 CH2CHOCHCH2 Vinyl ether vinylether  
1605 CHOCHCHCH3 2-Butenal butenal2  
1606 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1607 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1608 CH2CHSCHCH2 Divinyl sulfide divis  
1609 C2H6N2O Urea, methyl- c598505  
1610 C3H6O2 1,3-Dioxolane dioxolane  
1611 CH3CH2COOH Propanoic Acid propanoic  
1612 CH3COOCH3 methyl acetate aame  
1613 HCOOC2H5 Ethyl formate faee  
1614 C2H6O2S Dimethyl sulfone c67710  
1615 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1616 C3H7NO dimethylformamide dmf  
1617 C3H7NO Propanamide propanam  
1618 C2H3OC2H5 Ethene, ethoxy- c109922  
1619 C4H8O Cyclobutanol c2919235  
1620 C4H8O Furan, tetrahydro- thf  
1621 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1622 CH3COCH2CH3 2-Butanone buta2one  
1623 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1624 CHOCH2CH2CH3 Butanal butanal  
1625 C4H8S Thiophene, tetrahydro- tht  
1626 C3H8O2 1,3-Propanediol c504632  
1627 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1628 C3H8O2 Methane, dimethoxy- c109875  
1629 C3H8O2 Propylene glycol c57556  
1630 C3H8S2 1,3-Propanedithiol c109808  
1631 C4H10O 1-Butanol butanol1  
1632 C4H10O 1-Propanol, 2-methyl- c78831  
1633 C4H10O 2-Butanol, (.+/-.)- butanol2  
1634 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1635 C4H10O Ethoxy ethane etoet  
1636 C4H10O Methyl propyl ether meopr  
1637 C4H10O Propane, 2-methoxy- c598538  
1638 C4H10O+ 1-Butanol cation butanol1+  
1639 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1640 C2H5SC2H5 Diethyl sulfide etset  
1641 C4H9SH 1-Butanethiol bush  
1642 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1643 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1644 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1645 FNO3 Fluorine nitrate fno3  
1646 ClONO2 Chlorine nitrate clono2  
1647 BrONO2 Bromine nitrate brono2  
1648 TiCl4 Titanium tetrachloride ticl4  
1649 ClO4- perchlorate anion clo4-  
1650 BF4- tetrafluoroboron anion bf4-  
1651 ClFO3 Perchloryl fluoride clfo3  
1652 SO2F2 Sulfuryl fluoride so2f2  
1653 SO2Cl2 Sulfuryl chloride so2cl2  
1654 F3NO Nitrogen trifluoride oxide f3no  
1655 F3PO Phosphoryl fluoride pf3o  
1656 Cl3PO Phosphoryl chloride pcl3o  
1657 CF4 Carbon tetrafluoride cf4  
1658 CF3Cl Methane, chlorotrifluoro- cf3cl  
1659 SiF4 Silicon tetrafluoride sif4  
1660 CF2Cl2 difluorodichloromethane cf2cl2  
1661 TiF4 Titanium tetrafluoride tif4  
1662 CFCl3 Trichloromonofluoromethane cfcl3  
1663 CF3Br Bromotrifluoromethane cf3br  
1664 GeF4 Germanium tetrafluoride gef4  
1665 CCl4 Carbon tetrachloride ccl4  
1666 CCl4+ Carbon tetrachloride cation ccl4+  
1667 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1668 SiCl4 Silane, tetrachloro- sicl4  
1669 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1670 CF3I trifluoroiodomethane cf3i  
1671 CBrCl3 Methane, bromotrichloro- cbrcl3  
1672 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1673 GeCl4 Germanium Tetrachloride gecl4  
1674 CBr2ClF dibromochlorofluoromethane cbr2clf  
1675 CBr2Cl2 dibromodichloromethane cbr2cl2  
1676 CCl3I trichloroiodomethane ccl3i  
1677 CFBr3 fluorotribromomethane cfbr3  
1678 CFClBrI fluorochlorobromoiodomethane cfclbri  
1679 CBr3Cl tribromochloromethane cbr3cl  
1680 CF2I2 difluorodiiodomethane cf2i2  
1681 CBr4 Carbon tetrabromide cbr4  
1682 CCl2I2 dichlorodiiodomethane ccl2i2  
1683 SiBr4 Silicon tetrabromide sibr4  
1684 CBr3I tribromoiododmethane cbr3i  
1685 GeBr4 Germanium tetrabromide gebr4  
1686 CI4 tetraiodomethane ci4  
1687 SiI4 silicon tetraiodide sii4  
1688 ClOF3 Chlorine trifluoride oxide clof3  
1689 SF4 Sulfur tetrafluoride sf4  
1690 SeF4 Selenium tetrafluoride sef4  
1691 SCl4 Sulfur tetrachloride scl4  
1692 C2HF3 Trifluoroethylene c2hf3  
1693 C2HF3+ Trifluoroethylene cation c2hf3+  
1694 CHClCCl2 Trichloroethylene chclccl2  
1695 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1696 HClO4 perchloric acid hclo4  
1697 HSO3F Fluorosulfonic acid hso3f  
1698 CF3OH trifluoromethanol cf3oh  
1699 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1700 CHClCCHCl 1,3-dichloroallene chclcchcl  
1701 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1702 CHCl2CHO dichloroacetaldehyde chcl2cho  
1703 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1704 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1705 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1706 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1707 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1708 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1709 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1710 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1711 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1712 NH3BCl3 Amminetrichloroboron nh3bcl3  
1713 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1714 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1715 C3H5ClO Oxirane, (chloromethyl)- c106898  
1716 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1717 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1718 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1719 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1720 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1721 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1722 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1723 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1724 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1725 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1726 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1727 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1728 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1729 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1730 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1731 C4H9F 1-fluorobutane butaf1  
1732 CH3CHFCH2CH3 2-fluorobutane butaf2  
1733 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1734 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1735 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1736 XeF4 Xenon tetrafluoride xef4  
1737 C2H2N2O Furazan furazan  
1738 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1739 NH3BF3 Amminetrifluoroboron nh3bf3  
1740 C6H2 hexatriyne c6h2  
1741 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1742 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1743 C6H4 Benzyne benzyne  
1744 C6H5 phenyl phenyl  
1745 C6H5- phenyl anion phenyl-  
1746 C6H6 Prismane prismane  
1747 C6H6 1,2,4,5-Hexatetraene ht1245  
1748 C6H6 2,4-Hexadiyne hexadiyne  
1749 C6H6 3,4-Dimethylenecyclobutene cb34m  
1750 C6H6 Benzene benzene  
1751 C6H6 Benzvalene bv  
1752 C6H6 Dewar Benzene dewar  
1753 C6H6 Hexa-1,5-diene-3-yne hdy153  
1754 C6H6 Trimethylenecycopropane tmcp  
1755 C6H6+ Benzene cation c6h6+  
1756 C6H7+ benzene, protonated c6h7+  
1757 C6H8 (E)-hexa-1,3,5-triene c821078  
1758 C6H8 (E)-hexa-2,3,4-triene c59660650  
1759 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1760 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1761 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1762 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1763 C6H8 3-Methylenecyclopentene c930267  
1764 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1765 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1766 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1767 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1768 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1769 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1770 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1771 C6H10 1,5-Hexadiene c592427  
1772 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1773 C6H10 1-Hexyne hexyne1  
1774 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1775 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1776 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1777 C6H10 2-Hexyne c764352  
1778 C6H10 3-Hexyne hexyne3  
1779 C6H10 cyclohexene cyclohexene  
1780 C6H10 Cyclopentene, 1-methyl- c693890  
1781 C6H10 Cyclopentene, 3-methyl- c1120623  
1782 C6H10 Cyclopentene, 4-methyl- c1759815  
1783 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1784 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1785 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1786 C6H12 (E)-2-Hexene e2hexene  
1787 C6H12 (E)-3-methylpent-2-ene c616126  
1788 C6H12 (E)-hex-3-ene e3hexene  
1789 C6H12 (Z)-3-methylpent-2-ene c922623  
1790 C6H12 (Z)-hex-2-ene z2hexene  
1791 C6H12 (Z)-hex-3-ene z3hexene  
1792 C6H12 2,3-dimethylbut-1-ene c563780  
1793 C6H12 2,3-dimethyl-but-2-ene tmeet  
1794 C6H12 3-methylenepentane c760214  
1795 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1796 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1797 C6H12 Cyclohexane cyclohexane  
1798 C6H12 Cyclopentane, methyl- c96377  
1799 C6H12 Ethylcyclobutane c4806615  
1800 C6H12 hex-1-ene hexene1  
1801 C6H14 Butane, 2,2-dimethyl- buta22  
1802 C6H14 Butane, 2,3-dimethyl- buta23  
1803 C6H14 Hexane hexane  
1804 C6H14 Pentane, 2-methyl- penta2  
1805 C6H14 Pentane, 3-methyl- penta3  
1806 C4N2 2-Butynedinitrile c4n2  
1807 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1808 C4H2N2 Fumaronitrile c4h2n2  
1809 C2H2N4 sym-tetrazine ttz  
1810 C3H3N3 1,3,5-Triazine triazine135  
1811 CH3N5 5-Aminotetrazole c4418615  
1812 C4H4N2 1,3-Diazine diazine13  
1813 C4H4N2 Pyrazine pyrazine  
1814 C4H4N2 Pyridazine pyridazine  
1815 C4H4N2 Succinonitrile c110612  
1816 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1817 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1818 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1819 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1820 C5H5N E-2,4-pentadienenitrile bdcn  
1821 C5H5N Pyridine pyridine  
1822 B3N3H6 borazine borazine  
1823 C6H6 Fulvene fulvene  
1824 C5H6N+ Pyridinium c5h6n  
1825 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1826 C5H7N (E)-2-Pentenenitrile c26294984  
1827 C5H7N (E)-3-Pentenenitrile c16529661  
1828 C5H7N (Z)-2-Pentenenitrile c25899507  
1829 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1830 C5H7N Cyclobutanecarbonitrile c4426113  
1831 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1832 C5H9N Butanenitrile, 2-methyl- c18936179  
1833 C5H9N Pentanenitrile c110598  
1834 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1835 C6H10 Bicyclo[3.1.0]hexane c285585  
1836 C5H11N Cyclopentanamine cypentam  
1837 C5H11N Piperidine piper  
1838 C4H12N2 1,2-Butanediamine c4426486  
1839 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1840 Li2CO3 Lithium Carbonate li2co3  
1841 Na2CO3 Sodium Carbonate na2co3  
1842 C2O4-- oxalate anion c2o4  
1843 MgSO4 Magnesium Sulfate mgso4  
1844 N2O4 Dinitrogen tetroxide n2o4  
1845 C3H2O3 vinylene carbonate vica  
1846 C2H2O4 Oxalic Acid oxalic  
1847 C2H3NO3 Oxamic acid oxamic  
1848 C4H4O2 2(5H)-Furanone furanone  
1849 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1850 C2H4N2O2 Oxalamide oxalamide  
1851 C2H4N2S2 Ethanedithioamide c79403  
1852 C2H4CO3 Ethylene carbonate etco3  
1853 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1854 C3H4S3 1,3-Dithiolane-2-thione c822388  
1855 C2H4O4 Formic acid dimer fadimer  
1856 C4H5NO 3-Methylisoxazole isox3m  
1857 C4H5NO Isoxazole, 5-methyl- c5765446  
1858 C4H5NS 4-Methylthiazole c693958  
1859 C2H5NO3 Nitric acid, ethyl ester c625581  
1860 C5H6O 2H-Pyran pyran2  
1861 C5H6O 2-methylfuran furan2m  
1862 C5H6O 3-Methylfuran furan3m  
1863 C5H6O Pentadienal pdal  
1864 C5H6S Thiophene, 2-methyl- c554143  
1865 C5H6S Thiophene, 3-methyl- c616444  
1866 C4H6O2 γ–Butyrolactone c96480  
1867 C4H6O2 2,3-Butanedione c431038  
1868 C4H6O2 2-Propenoic acid, methyl ester c96333  
1869 C4H6O2 Crotonic Acid crot  
1870 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1871 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1872 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1873 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1874 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1875 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1876 C4H6OS Vinyl sulfoxide c1115157  
1877 CH6N4S Carbonothioic dihydrazide thiacarb  
1878 C2H6N2O2 (E)-Azodioxymethane c37765154  
1879 C2H6N2O2 Dimethylnitroamine c4164287  
1880 C3H6O3 1,3,5-Trioxane trioxane  
1881 C3H6S3 1,3,5-Trithiane c3h6s3  
1882 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1883 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1884 C4H7NO 2-Pyrrolidinone c616455  
1885 C4H7NO Ethoxyacetonitrile etoaccn  
1886 C4H7NO Methacrylamide c79390  
1887 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1888 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1889 C3H7ONO Propyl nitrite prono  
1890 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1891 CH3CH(NH2)COOH Alanine alanine  
1892 CH3NHCH2COOH Sarcosine sarcosine  
1893 NH2CH2CH2COOH β–alanine betaalanine  
1894 NH2COOC2H5 Urethane urethane  
1895 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1896 C5H8O Cyclopentanone c120923  
1897 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1898 C5H8O Methyl cyclopropyl ketone c765435  
1899 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1900 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1901 NH2CONHC2H5 Urea, ethyl- c625525  
1902 C4H8O2 1,3-Dioxane dioxan13  
1903 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1904 C4H8O2 1,4-Dioxane dioxan14  
1905 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1906 C4H8O2 Ethyl acetate c141786  
1907 C4H8OS s-Ethyl thioacetate c625605  
1908 C3H8O3 1,2,3-Propanetriol glycerin  
1909 C3H8O2S (Methylsulfonyl)ethane c594434  
1910 C4H9NO Butanamide c541355  
1911 C4H9NO Propanamide, 2-methyl- c563837  
1912 C5H10O 2-Butanone, 3-methyl- c563804  
1913 C5H10O 2H-Pyran, tetrahydro- c142687  
1914 C5H10O 2-methylbutyraldehyde 2meba  
1915 C5H10O 2-Pentanone mpk  
1916 C5H10O 3-Pentanone dek  
1917 C5H10O Cyclopentanol c96413  
1918 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1919 C5H10O Pentanal pal  
1920 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1921 C5H10S 3-Ethylthio-1-propene c5296628  
1922 C5H10S Cyclopentanethiol c1679078  
1923 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1924 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1925 C4H10O2 1,1-Dimethoxyethane c534156  
1926 C4H10O2 1,3-Butanediol budiol13  
1927 C4H10O2 1,4-Butanediol budiol14  
1928 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1929 C4H10OS Diethyl sulfoxide c70291  
1930 C4H10S2 1,4-Butanedithiol budisl14  
1931 C4H11NO Diethylhydroxylamine c3710847  
1932 C5H12O 1-Butanol, 2-methyl- c137326  
1933 C5H12O 1-Butanol, 3-methyl- c123513  
1934 C5H12O 1-Pentanol pentanol1  
1935 C5H12O 2-Butanol, 3-methyl- c598754  
1936 C5H12O 2-Pentanol peol2  
1937 C5H12O 3-Pentanol pentan3ol  
1938 C5H12O Butane, 1-methoxy- meobu  
1939 C5H12O Propane, 1-ethoxy- proet  
1940 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1941 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1942 C5H12S 1-Butanethiol, 3-methyl- c541311  
1943 C5H12S 1-Pentanethiol c110667  
1944 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1945 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1946 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1947 C5H12S Butane, 1-(methylthio)- c628295  
1948 C5H12S Ethyl propyl sulfide c4110503  
1949 C5H12S Propane, 2-(ethylthio)- c5145993  
1950 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1951 C4F2 difluorobutadiyne c4f2  
1952 ClCOClCO Oxalyl chloride oxcl  
1953 CF3CN Acetonitrile, trifluoro- cf3cn  
1954 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1955 B2F4 Diboron tetrafluoride b2f4  
1956 B2Cl4 Diboron tetrachloride b2cl4  
1957 C2F4 Tetrafluoroethylene c2f4  
1958 C2F4+ Tetrafluoroethylene cation c2f4+  
1959 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1960 CF2CCl2 difluorodichloroethylene cf2ccl2  
1961 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1962 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1963 C2FCl3 fluorotrichloroethene c2fcl3  
1964 C2Cl4 Tetrachloroethylene c2cl4  
1965 C2Br4 tetrabromoethene c2br4  
1966 CF3OF Trifluoromethylhypofluorite cf3of  
1967 SiF5- silicon pentafluoride anion sif5-  
1968 SOF4 Sulfur tetrafluoride oxide sof4  
1969 PF5 Phosphorus pentafluoride pf5  
1970 AsF5 Arsenic pentafluoride asf5  
1971 PCl5 Phosphorus pentachloride pcl5  
1972 SF5 Sulfur pentafluoride sf5  
1973 SF5+ pentafluoro sulfur cation sf5+  
1974 SbCl5 Antimony pentachloride sbcl5  
1975 BrF5 bromine pentafluoride brf5  
1976 ClF5 chlorinepentafluoride clf5  
1977 IF5 pentafluoroiodine if5  
1978 CF3CHO trifluoroacetaldehyde cf3cho  
1979 CCl3CHO trichloroacetaldehyde ccl3cho  
1980 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1981 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1982 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1983 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1984 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1985 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1986 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1987 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1988 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1989 CF3COOH trifluoroacetic acid cf3cooh  
1990 C4H3ClO Furan, 2-chloro fur2cl  
1991 C4H3ClO Furan,3-chloro fur3cl  
1992 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1993 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1994 C4H8Cl2 1,4-Dichlorobutane c110565  
1995 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1996 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1997 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1998 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1999 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
2000 C5H11Cl Pentane, 1-chloro- pencl1  
2001 C4H8O2 Butanoic acid bua  
2002 C6H5CH2 benzyl radical benzyl  
2003 C7H7 cycloheptatrienyl radical c7h7  
2004 C7H7+ cycloheptatrienyl cation c7h7+  
2005 C6H5CH3 toluene toluene  
2006 C7H8 cycloheptatriene cht  
2007 C7H8 Norbornadiene norbor  
2008 C7H8 Quadricyclane qucy  
2009 C7H12 Norbornane nor  
2010 C7H14 cycloheptane c7h14  
2011 C7H16 2-methylhexane 2mhex  
2012 C7H16 3-methylhexane hex3m  
2013 C7H16 heptane heptane  
2014 CH(CN)3 tricyanomethane mecn3  
2015 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
2016 C6H7N 2-Methylpyridine mp  
2017 C6H5NH2 aniline aniline  
2018 C6H13N 2-Methylpiperidine pip2m  
2019 C6H13N cyclohexanamine cham  
2020 C6H15N triethylamine tea  
2021 N2O5 Dinitrogen pentoxide n2o5  
2022 C4H2O3 Maleic Anhydride malan  
2023 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
2024 C5H4O2 furfural furfural  
2025 C6H5O phenoxy radical phenoxy  
2026 C5H5NO 2(1H)-Pyridinone c72762006  
2027 C5H5NO 2(3H)-Pyridinone c9000048  
2028 C5H5NO 2(5H)-Pyridinone c9000037  
2029 C5H5NO 2-Pyridinol c109104  
2030 C5H5NO 3(2H)-Pyridinone c9000004  
2031 C5H5NO 3(4H)-Pyridinone c9000026  
2032 C5H5NO 3(6H)-Pyridinone c9000015  
2033 C5H5NO 3-Pyridinol c109002  
2034 C5H5NO 4(1H)-Pryidinone c9000060  
2035 C5H5NO 4(3H)-Pryidinone c9000059  
2036 C5H5NO 4-Pyridinol c626642  
2037 C6H5OH phenol phenol  
2038 C6H6O 2,4-Cyclohexadienone c24599573  
2039 C6H6O 2,5-Cyclohexadienone c5664335  
2040 C6H5SH Benzenethiol phsh  
2041 HO2CCHNH2CH2OH Serine serine  
2042 C5H8O2 Acetylacetone acac  
2043 C4H8O2S Sulfolane sulfolane  
2044 C7H10 Norbornene norbornene  
2045 CH(C2H3)3 trivinyl methane tvm  
2046 C6H10O cyclohexanone chexo  
2047 C6H12O hexanal c6h12o  
2048 C6H12O Oxepane oxepane  
2049 C3H7OC3H7 di-n-propyl ether propr  
2050 F2CCCF2 tetrafluoroallene pfa  
2051 CF3COO- trifluoro acetate anion cf3coo-  
2052 CF3COF trifluoroacetyl fluoride cf3cof  
2053 CF3COCl trifluoroacetyl chloride cf3cocl  
2054 PF6 Hexafluorophosphate neutral pf6  
2055 PF6- Hexafluorophosphate ion pf6-  
2056 SF6 Sulfur Hexafluoride sf6  
2057 SeF6 Selenium hexafluoride sef6  
2058 SF5Cl sulfur chloropentafluoride sf5cl  
2059 CF3CHF2 pentafluoroethane cf3chf2  
2060 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
2061 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2062 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2063 CCl3CHCl2 pentachloroethane ccl3chcl2  
2064 C6H5F Fluorobenzene bzf  
2065 C6H5Cl chlorobenzene bzcl  
2066 C6H5Br bromobenzene bzbr  
2067 C8H6 Calicene calicene  
2068 C6H5CCH phenylacetylene phac  
2069 C8H6 benzocyclobutadiene bcbd  
2070 C8H6 Pentalene pentalene  
2071 C6H5CHCH2 Styrene styrene  
2072 C8H8 cubane cubane  
2073 C8H8 cyclooctatetraene cot  
2074 C6H5CH2CH3 Ethylbenzene etbz  
2075 CH3C6H4CH3 meta-xylene mxylene  
2076 CH3C6H4CH3 paraxylene pxylene  
2077 C8H14 Bicyclo[2.2.2]octane bico222  
2078 C8H16 cyclooctane cyclooct  
2079 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2080 C8H18 Octane c8h18  
2081 C6H5CN phenyl cyanide phcn  
2082 C6H12N2 Triethylenediamine ted  
2083 C4O4-- squarate dianion c4o4--  
2084 S4N4 Tetrasulfur tetranitride s4n4  
2085 S8 Octasulfur s8  
2086 C6H4O2 parabenzoquinone pbq  
2087 C4H4N2O2 Uracil uracil  
2088 C6H5CHO benzaldehyde benzal  
2089 C6H5OCH3 Anisole anisole  
2090 C5H9NO2 Proline proline  
2091 C6H12O2 Methyl pivalate c598981  
2092 C6H12O2 Hexanoic acid hexa  
2093 C4F4 tetrafluorcyclobutadiene c4f4  
2094 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2095 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2096 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2097 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2098 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2099 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2100 C2F6 hexafluoroethane c2f6  
2101 C2Cl6 hexachloroethane c2cl6  
2102 IF7 Iodine heptafluoride if7  
2103 C6H4F2 metadifluorobenzene mdfb  
2104 C6H4F2 orthodifluorobenzene odfb  
2105 C6H4F2 1,4-difluorobenzene pdfb  
2106 C6H4Cl2 1,2-dichlorobenzene dcb12  
2107 C6H4Cl2 1,3-dichlorobenzene dcb13  
2108 C6H4Cl2 1,4-dichlorobenzene dcb14  
2109 C6H5NO nitrosobenzene bzno  
2110 C9H8 Indene indene  
2111 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2112 C9H12 n-propyl benzene prbz  
2113 C9H20 Nonane nonane  
2114 C(CN)4 tetracyanomethane c5n4  
2115 C5H4N4 purine purine  
2116 C8H7N Indole indole  
2117 C3H3N3O3 cyanuric acid cyanuric  
2118 C6H5NO2 Nitrobenzene c6h5no2  
2119 C6H5COOH benzoic acid benzo  
2120 CH3COC6H5 acetophenone acph  
2121 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2122 C3F6 hexafluoropropene c3f6  
2123 C6H3F3 Benzene trifluoride 123 bzf3a  
2124 C8H18O 1-Octanol octanol  
2125 C10H8 Azulene azu  
2126 C10H8 naphthalene naph  
2127 C10H10 bullvalene bullv  
2128 C10H16 adamantane adamantane  
2129 C6N4 Tetracyanoethylene tcne  
2130 C6N4- tetracyanoethylene anion tcne-  
2131 C10H22 Decane decane  
2132 C4F6 perfluorobutadiene c4f6  
2133 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2134 C3F8 perfluoropropane c3f8  
2135 Fe(CO)5 Iron pentacarbonyl ipc  
2136 Fe(C5H5)2 ferrocene fecp2  
2137 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2138 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2139 C12H8 Acenaphthylene acenaph  
2140 C12H8 biphenylene biph  
2141 C12H10 biphenyl biphenyl  
2142 C12H10 Heptalene heptalene  
2143 C6H12O6 Inositol inositol  
2144 C6F6 hexafluorobenzene c6f6  
2145 S2F10 disulphur decafluoride s2f10  
2146 C13H10 Fluorene fluorene  
2147 C14H10 Anthracene anth  
2148 C14H10 Phenanthrene phenanthrene  
2149 C14H14 Bibenzyl bibenzyl  
2150 C12H10N2 azobenzene azobenzene  
2151 C6H5COC6H5 benzophenone benzophenone  
2152 C16H10 Pyrene pyrene  
2153 C18H12 Tetracene tetracene  
2154 C19H16 Triphenylmethane tpm  
2155 C24H12 Coronene coronene  
2156 C60 Buckminsterfullerene c60