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 CCSD(T)=FULL /6-311+G(3df,2pd)

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count Species Name State Conformation
1 H2 Hydrogen diatomic 1ΣgD∞h
2 He Helium atom 1SKh
3 Li Lithium atom 2SKh
4 Na Sodium atom 2SKh
5 Na+ Sodium atom cation 1SKh
6 LiH Lithium Hydride 1ΣC∞v
7 Be Beryllium atom 1SKh
8 Be+ Beryllium atom cation 2SKh
9 Mg Magnesium atom 1SKh
10 Mg+ Magnesium atom cation 2SKh
11 B Boron atom 2PKh
12 B Boron atom 4PKh
13 B+ Boron atom cation 1SKh
14 Al Aluminum atom 2PKh
15 Al+ Aluminum atom cation 1SKh
16 C Carbon atom 3P0Kh
17 C Carbon atom 3P1Kh
18 C+ Carbon atom cation 2PKh
19 Si Silicon atom 3PKh
20 Si Silicon atom 1SKh
21 Si+ Silicon atom cation 2PKh
22 CH4 Methane 1A1Td
23 N Nitrogen atom 4SKh
24 N Nitrogen atom 2DKh
25 N+ Nitrogen atom cation 3PKh
26 P Phosphorus atom 4SKh
27 NH3 Ammonia 1A1C3v
28 O Oxygen atom 3SKh
29 O+ Oxygen atom cation 4SKh
30 S Sulfur atom 3PKh
31 OH Hydroxyl radical 2ΠC∞v
32 H2O Water 1A1C2v
33 F Fluorine atom 2PKh
34 F+ Fluorine atom cation 3SKh
35 Cl Chlorine atom 2PKh
36 Cl+ Chlorine atom cation 3PKh
37 HF Hydrogen fluoride 1ΣC∞v
38 HCl Hydrogen chloride 1ΣC∞v
39 Ne Neon atom 1SKh
40 Ne+ Neon atom cation 2PKh
41 Ar Argon atom 1SKh
42 Na2 Sodium diatomic 1ΣgD∞h
43 C2H2 Acetylene 1ΣgD∞h
44 C2H4 Ethylene 1AgD2h
45 C2H6 Ethane 1A1gD3d
46 N2 Nitrogen diatomic 1ΣgD∞h
47 CO Carbon monoxide 1ΣC∞v
48 NO Nitric oxide 2ΠC∞v
49 O2 Oxygen diatomic 3ΣgD∞h
50 H2CO Formaldehyde 1A1C2v
51 BF Boron monofluoride 1ΣC∞v
52 F2 Fluorine diatomic 1ΣgD∞h
53 Cl2 Chlorine diatomic 1ΣgD∞h
54 C3H6 Cyclopropane 1A1'D3h
55 CH2CHCH3 Propene 1A'Cs
56 CO2 Carbon dioxide 1ΣgD∞h
57 SO2 Sulfur dioxide 1A1C2v
58 BF3 Borane, trifluoro- 1A'D3h
59 AlF3 Aluminum trifluoride 1A1'D3h

Species NOT done yet
count Species Name file name problem
1 D Deuterium atom d  
2 D- Deuterium atom anion d-  
3 D+ Deuterium atom cation d+  
4 H Hydrogen atom h  
5 H- Hydrogen atom anion h-  
6 H+ Hydrogen atom cation h+  
7 D2 Deuterium diatomic d2  
8 H2- hydrogen diatomic anion h2-  
9 H2+ Hydrogen cation h2+  
10 HD Deuterium hydride hd  
11 H3+ hydrogen trimer cation h3+  
12 He- Helium atom anion he-  
13 He+ Helium atom cation he+  
14 HeH Helium hydride heh  
15 HeH+ Helium hydride cation heh+  
16 He2+ helium diatomic cation he2+  
17 Li- Lithium atom anion li-  
18 Li+ Lithium atom cation li+  
19 Na- Sodium atom anion na-  
20 K Potassium atom k  
21 K- Potassium atom anion k-  
22 K+ Potassium atom cation k+  
23 Cu Copper atom cu  
24 Cu- Copper atom anion cu-  
25 Cu+ Copper atom cation cu+  
26 LiH- lithium hydride anion lih-  
27 LiH+ lithium hydride cation lih+  
28 NaH sodium hydride nah  
29 NaH- sodium hydride anion nah-  
30 NaH+ sodium hydride cation nah+  
31 KH Potassium hydride kh  
32 KH+ Potassium hydrogen cation kh+  
33 CuH Copper monohydride cuh  
34 Be- Beryllium atom anion be-  
35 Mg- Magnesium atom anion mg-  
36 Ca Calcium atom ca  
37 Ca- Calcium atom anion ca-  
38 Ca+ Calcium atom cation ca+  
39 Zn Zinc atom zn  
40 Zn- Zinc atom anion zn-  
41 Zn+ Zinc atom cation zn+  
42 BeH beryllium monohydride beh  
43 BeH- berylium monohydride anion beh-  
44 BeH+ beryllium monohydride cation beh+  
45 MgH magnesium monohydride mgh  
46 MgH- magnesium monohydride anion mgh-  
47 MgH+ magnesium monohydride cation mgh+  
48 CaH Calcium monohydride cah  
49 CaH+ Calcium monohydride cation cah+  
50 TiH Titanium monohydride tih  
51 ZnH Zinc monohydride znh  
52 ZnH+ Zinc, protonated znh+  
53 BeH2 beryllium dihydride beh2  
54 BeH2+ Beryllium dihydride cation beh2+  
55 MgH2 magnesium dihydride mgh2  
56 CaH2 Calcium Hydride cah2  
57 ZnH2 Zinc hydride znh2  
58 B- Boron atom anion b-  
59 Al- Aluminum atom anion al-  
60 Sc Scandium atom sc  
61 Sc+ Scandium cation sc+  
62 Ga Gallium atom ga  
63 Ga- Gallium atom anion ga-  
64 Ga+ Gallium atom cation ga+  
65 BH Boron monohydride bh  
66 BH- boron monohydride anion bh-  
67 BH+ boron monohydride cation bh+  
68 AlH aluminum monohydride alh  
69 AlH- aluminum monohydride anion alh-  
70 AlH+ aluminum monohydride cation alh+  
71 ScH Scandium monohydride sch  
72 ScH+ Scandium monohydride cation sch+  
73 GaH Gallium monohydride gah  
74 GaH+ Gallium monohydride cation gah+  
75 BH2 boron dihydride bh2  
76 BH2- boron dihydride anion bh2-  
77 BH2+ Boron dihydride cation bh2+  
78 AlH2 aluminum dihydride alh2  
79 AlH2- aluminum dihydride anion alh2-  
80 AlH2+ aluminum dihydride cation alh2+  
81 BH3 boron trihydride bh3  
82 BH3- boron trihydride anion bh3-  
83 BH3+ boron trihydride cation bh3+  
84 AlH3 aluminum trihydride alh3  
85 AlH3- aluminum trihydride anion alh3-  
86 AlH3+ aluminum trihydride cation alh3+  
87 ScH3 Scandium trihydride sch3  
88 GaH3 Gallium trihydride gah3  
89 BH4 borohydride bh4  
90 BH4- borohydride anion bh4-  
91 AlH4- Aluminum tetrahydride anion alh4-  
92 C- Carbon atom anion c-  
93 Si- Silicon atom anion si-  
94 Ti Titanium atom ti  
95 Ti- Titanium atom anion ti-  
96 Ti+ Titanium atom cation ti+  
97 Ge Germanium atom ge  
98 Ge- Germanium anion ge-  
99 Ge+ Germanium cation ge+  
100 Sn Tin atom sn  
101 Sn+ Tin cation sn+  
102 CH Methylidyne ch  
103 CH- methylidyne anion ch-  
104 CH+ Methylidyne cation ch+  
105 SiH Silylidyne sih  
106 SiH- silicon monohydride anion sih-  
107 SiH+ silicon monohydride cation sih+  
108 GeH germylidene geh  
109 GeH+ Germaniun monohyrdide cation geh+  
110 CH2 Methylene ch2  
111 CH2- methylene anion ch2-  
112 CH2+ methylene cation ch2+  
113 SiH2 silicon dihydride sih2  
114 SiH2- silicon dihydride anion sih2-  
115 SiH2+ silicon dihydride cation sih2+  
116 GeH2 germylene geh2  
117 GeH2- germylene anion geh2-  
118 CH3 Methyl radical ch3  
119 CH3- methyl anion ch3-  
120 CH3+ methyl cation ch3+  
121 SiH3 Silyl radical sih3  
122 SiH3- Silyl anion sih3-  
123 SiH3+ Silyl cation sih3+  
124 GeH3 Germyl radical geh3  
125 GeH3+ germyl cation geh3+  
126 CD4 methane-d4 cd4  
127 CH2D2 methane-d2 ch2d2  
128 CH3D methane-d ch3d  
129 CH4- Methane anion ch4-  
130 CH4+ Methane cation ch4+  
131 CHD3 methane-d3 chd3  
132 SiH2D2 silane-d2 sih2d2  
133 SiH4 Silane sih4  
134 SiH4+ Silane cation sih4+  
135 GeH4 Germane geh4  
136 SnH4 Stannane snh4  
137 SiH5+ Silane, protonated sih5+  
138 N- Nitrogen atom anion n-  
139 P- Phosphorus atom anion p-  
140 P+ Phosphorus atom cation p+  
141 V Vanadium atom v  
142 V+ Vanadium atom cation v+  
143 As Arsenic atomic as  
144 As- Arsenic anion as-  
145 As+ Arsenic cation as+  
146 Sb Antimony atom sb  
147 NH Imidogen nh  
148 NH- Imidogen anion nh-  
149 NH+ imidogen cation nh+  
150 PH phosphorus monohydride ph  
151 PH- phosphorus monohydride anion ph-  
152 PH+ phosphorus monohydride cation ph+  
153 AsH Arsenic monohydride ash  
154 AsH+ Arsenic monohydride cation ash+  
155 SbH Antimony monohydride sbh  
156 ND2 Amidogen-d2 nd2  
157 NH2 Amino radical nh2  
158 NH2- amino anion nh2-  
159 NH2+ Amino cation nh2+  
160 PH2 Phosphino radical ph2  
161 PH2- Phosphino anion ph2-  
162 PH2+ Phosphino cation ph2+  
163 AsH2 Arsenic dihydride ash2  
164 AsH2+ Arsenic dihydride cation ash2+  
165 ND3 Ammonia-d3 nd3  
166 NH3- Ammonia anion nh3-  
167 NH3+ ammonia cation nh3+  
168 PH3 Phosphine ph3  
169 PH3+ Phosphine cation ph3+  
170 AsH3 Arsine ash3  
171 AsH3+ Arsine cation ash3+  
172 SbH3 Stibine sbh3  
173 AsH4+ Arsonium ash4+  
174 NH4 Ammonium radical nh4  
175 NH4+ ammonium cation nh4+  
176 PH4 Phosphoranyl radical ph4  
177 PH4+ phosphonium cation ph4+  
178 O- Oxygen atom anion o-  
179 S- Sulfur atom anion s-  
180 S+ Sulfur atom cation s+  
181 Cr Chromium atom cr  
182 Se Selenium atom se  
183 Se- Selenium atom anion se-  
184 Se+ Selenium atom cation se+  
185 Te Tellurium atom te  
186 Te+ Tellurium atom cation te+  
187 DO Hydroxyl-d od  
188 OH- hydroxide anion oh-  
189 OH+ hydoxyl cation oh+  
190 DS Mercapto-d ds  
191 HS Mercapto radical hs  
192 HS- mercapto anion sh-  
193 HS+ sulfur monohydride cation sh+  
194 CrH Chromium hydride crh  
195 CrH+ Chromium hydride cation crh+  
196 HSe Selenium monohydride hse  
197 HSe- selenium monohydride anion hse-  
198 HSe+ selenium monohydride cation hse+  
199 TeH Telluryl radical teh  
200 D2O Deuterium oxide d2o  
201 H2O- water anion h2o-  
202 H2O+ water cation h2o+  
203 HDO Water-d1 hdo  
204 D2S Hydrogen sulfide-d2 d2s  
205 H2S Hydrogen sulfide h2s  
206 H2S- Hydrogen sulfide anion h2s-  
207 H2S+ Hydrogen sulfide cation h2s+  
208 H2Se Hydrogen selenide h2se  
209 H2Se+ Hydrogen selenide cation h2se+  
210 H2Te Hydrogen Telluride h2te  
211 H3O+ hydronium cation h3o+  
212 H3S+ Sulfonium cation h3s+  
213 H3Se+ Hydrogen Selenide, protonated h3se+  
214 F- Fluorine atom anion f-  
215 Cl- Chlorine atom anion cl-  
216 Mn Manganese atom mn  
217 Br Bromine atom br  
218 Br- Bromine atom anion br-  
219 Br+ Bromine atom cation br+  
220 I Iodine atom iodine  
221 I- Iodine atom anion iodine-  
222 I+ Iodine atom cation iodine+  
223 DF Hydrofluoric acid-d df  
224 HF- hydrogen fluoride anion hf-  
225 HF+ hydrogen fluoride cation hf+  
226 DCl Hydrochloric acid-d dcl  
227 HCl- hydrogen chloride anion hcl-  
228 HCl+ hydrogen chloride cation hcl+  
229 HBr hydrogen bromide hbr  
230 HBr- hydrogen bromide anion hbr-  
231 HBr+ hydrogen bromide cation hbr+  
232 HI Hydrogen iodide hi  
233 HI+ Hydrogen iodide cation hi+  
234 H2F+ dihydrogen fluoride cation h2f+  
235 H2Cl+ dihydrogen monochloride cation h2cl+  
236 H2Br+ protonated hydrogen bromide h2br+  
237 H2I+ Iodonium h2i+  
238 Ne- Neon atom anion ne-  
239 Ar- Argon atom anion ar-  
240 Ar+ Argon atom cation ar+  
241 Fe Iron atom fe  
242 Kr Krypton atom kr  
243 Kr+ Krypton cation kr+  
244 Xe Xenon atom xe  
245 HeLi+ Helium Lithium cation heli+  
246 NeH neon hydrogen neh  
247 NeH+ neon hydrogen cation neh+  
248 ArH+ Argon hydride cation arh+  
249 KrH+ Protonated Krypton krh+  
250 XeH+ Xenon, protonated xeh+  
251 H2Ar H2 Ar dimer h2ar  
252 Co Cobalt atom cobalt  
253 Ni Nickel atom ni  
254 Li2 Lithium diatomic li2  
255 Li2- lithium diatomic anion li2-  
256 Li2+ lithium diatomic cation li2+  
257 NaLi lithium sodium lina  
258 NaLi- lithium sodium anion lina-  
259 NaLi+ lithium sodium cation lina+  
260 LiK Lithium Potassium lik  
261 Na2- sodium diatomic anion na2-  
262 Na2+ sodium diatomic cation na2+  
263 NaK Sodium Potassium nak  
264 NaK+ Sodium Potassium diatomic cation nak+  
265 K2 Potassium diatomic k2  
266 Cu2 Copper diatomic cu2  
267 LiBe Lithium Beryllium libe  
268 LiMg Lithium magnesium limg  
269 NaBe Sodium Beryllium nabe  
270 NaMg Sodium Magnesium namg  
271 Be2 Beryllium diatomic be2  
272 Be2- Beryllium diatomic anion be2-  
273 Be2+ Beryllium diatomic cation be2+  
274 BeMg Beryllium Magnesium bemg  
275 Mg2 Magnesium diatomic mg2  
276 Mg2- magnesium diatomic anion mg2-  
277 Mg2+ magnesium diatomic cation mg2+  
278 Ca2 Calcium diatomic ca2  
279 LiB Lithium boride lib  
280 LiAl Lithium Aluminum lial  
281 NaAl Sodium aluminum naal  
282 BeB Beryllium monoboride beb  
283 B2 Boron diatomic b2  
284 B2- Boron diatomic anion b2-  
285 B2+ Boron diatomic cation b2+  
286 BAl Boron Aluminum bal  
287 Al2 Aluminum diatomic al2  
288 Al2- aluminum diatomic anion al2-  
289 Al2+ aluminum diatomic cation al2+  
290 BGa Boron Gallium bga  
291 AlGa Aluminum Gallium alga  
292 Ga2 Gallium diatomic ga2  
293 HBBH Diborane(2) hbbh  
294 LiBH4 Lithium borohydride libh4  
295 B2H4 Diborane(4) D2d b2h4  
296 HBHHBH Diborane(4) C2V hbhhbh  
297 B2H6 Diborane b2h6  
298 B2H6+ Diborane cation b2h6  
299 Al2H6 dialane al2h6  
300 Ga2H6 digallane ga2h6  
301 LiC Lithium Carbide lic  
302 BeC Beryllium Carbide bec  
303 CaC Calcium monocarbide cac  
304 BC boron monocarbide bc  
305 BC- boron monocarbide anion bc-  
306 BC+ boron monocarbide cation bc+  
307 AlC Aluminum carbide alc  
308 BSi Boron silicide bsi  
309 C2 Carbon diatomic c2  
310 C2- carbon diatomic anion c2-  
311 C2+ carbon diatomic cation c2+  
312 SiC silicon monocarbide sic  
313 SiC- silicon monocarbide anion sic-  
314 SiC+ silicon monocarbide cation sic+  
315 Si2 Silicon diatomic si2  
316 Si2- silcon diatomic anion si2-  
317 Si2+ silcon diatomic cation si2+  
318 GeC Germanium monocarbide gec  
319 SiGe Silicon Germanium sige  
320 Ge2 Germanium diatomic ge2  
321 C2H Ethynyl radical c2h  
322 C2H- Ethynyl anion c2h-  
323 C2H+ Ethynyl cation c2h+  
324 ZnCH2 Zinc methylene znch2  
325 C2H2+ acetylene cation c2h2+  
326 CCH2 vinylidene vinylidene  
327 H2CC- vinylidene anion h2cc-  
328 HCCH- acetylene anion c2h2-  
329 Si2H2 disilyne si2h2  
330 CH3Li methyl lithium ch3li  
331 CuCH3 monomethyl copper cuch3  
332 ZnCH3 Zinc monomethyl znch3  
333 CH2BH methyleneborane ch2bh  
334 C2H3 vinyl c2h3  
335 C2H3- vinyl anion c2h3-  
336 C2H3+ vinyl cation c2h3+  
337 C2H4- Ethylene anion c2h4-  
338 C2H4+ Ethylene cation c2h4+  
339 CH3CH methylmethylene ch3ch  
340 CH2SiH2 silaethylene ch2sih2  
341 Si2H4 Disilene si2h4  
342 CH3BH2 methylborane ch3bh2  
343 C2H5 Ethyl radical c2h5  
344 C2H5- Ethyl anion c2h5-  
345 C2H5+ Ethyl cation c2h5+  
346 C2H6+ ethane cation c2h6+  
347 CH3SiH3 methyl silane ch3sih3  
348 Si2H6 disilane si2h6  
349 GeH3CH3 methyl germane geh3ch3  
350 C2H7+ Ethane, protonated c2h7+  
351 LiN Lithium Nitride lin  
352 LiN+ Lithium Nitride cation lin+  
353 LiP Lithium monophosphide lip  
354 BeN Beryllium mononitride ben  
355 BeN- Beryllium mononitride anion ben-  
356 BeN+ Beryllium mononitride cation ben+  
357 MgN Magnesium Nitride mgn  
358 BN- boron nitride anion bn-  
359 AlN- aluminum mononitride anion aln-  
360 AlN+ aluminum mononitride cation aln+  
361 BP Boron monophosphide bp  
362 AlP Aluminum monophosphide alp  
363 GaN Gallium mononitride gan  
364 GaP Gallium monophosphide gap  
365 GaAs Gallium arsenide gaas  
366 BN boron nitride bn  
367 BN+ boron nitride cation bn+  
368 AlN Aluminum nitride aln  
369 CN Cyano radical cn  
370 CN- cyanide anion cn-  
371 CN+ Cyano cation cn+  
372 CP Carbon monophosphide cp  
373 CP- carbon monophosphide anion cp-  
374 CP+ carbon monophosphide cation cp+  
375 SiN Silicon nitride sin  
376 SiN- silicon mononitride anion sin-  
377 SiN+ silicon mononitride cation sin+  
378 SiP Silicon monophosphide sip  
379 SiP- Silicon monophosphide anion sip-  
380 SiP+ Silicon monophosphide cation sip+  
381 TiN Titanium mononitride tin  
382 N2- nitrogen diatomic anion n2-  
383 N2+ diatomic nitrogen cation n2+  
384 PN Phosphorus mononitride pn  
385 PN- phosphorus nitride anion pn-  
386 PN+ phosphorus nitride cation pn+  
387 P2 Phosphorus diatomic p2  
388 P2- phosphorus diatomic anion p2-  
389 P2+ phosphorus diatomic cation p2+  
390 AsN Arsenic mononitride asn  
391 AsP Arsenic monophosphide asp  
392 SbN Antimony nitride sbn  
393 As2 Arsenic diatomic as2  
394 HNB hydrogen nitrogen boron hnb  
395 HNC hydrogen isocyanide hnc  
396 HCN Hydrogen cyanide hcn  
397 HCN- Hydrogen cyanide anion hcn-  
398 HCN+ hydrogen cyanide cation hcn+  
399 HNC+ hydrogen isocyanide cation hnc+  
400 HCP Phosphaethyne hcp  
401 HCP+ Phosphaethyne cation hcp+  
402 NNH Dinitrogen monohydride nnh  
403 NNH+ Dinitrogen monohydride cation nnh+  
404 HPO Hydrogen phosphorus oxide hpo  
405 HPO+ Hydrogen phosphorus oxide cation hpo+  
406 LiNH2 lithium amide linh2  
407 HBNH Boranimine hbnh  
408 CNH2 Aminomethylidyne radical cnh2  
409 CNH2+ N-protonated hydrogen isocyanide cnh2+  
410 H2CN Dihydrogen cyanide radical h2cn  
411 H2CN+ hydrocyanonium cation h2cn+  
412 HCNH methyleneazane hcnh  
413 HCNH+ N-protonated HCN hcnh+  
414 H2NN Isodiazene h2nn  
415 N2H2 (E)-diazene n2h2  
416 N2H2 (Z)-Diazene n2h2z  
417 N2H2+ trans-diazene cation n2h2+  
418 CH2NH Methanimine ch3n  
419 CH2NH+ Methanimine cation ch2nh+  
420 CHNH2 aminomethylene chnh2  
421 CHNH2+ Aminocarbene cation chnh2+  
422 CH2PH Phosphaethene ch3p  
423 BH2NH2 Boranamine bh2nh2  
424 CH2NH2+ methyleneamine cation ch2nh2+  
425 N2H4 Hydrazine n2h4  
426 N2H4+ hydrazine cation n2h4+  
427 P2H4 Diphosphine p2h4  
428 CH3NH2 methyl amine ch3nh2  
429 CH3NH2+ methyl amine cation ch3nh2+  
430 CH3PH2 Methyl phosphine ch3ph2  
431 SiH3NH2 Silane, amino sih3nh2  
432 N2H5+ protonated hydrazine n2h5+  
433 BH3PH3 borane phosphine bh3ph3  
434 BH3NH3 borane ammonia bh3nh3  
435 CH3NH3 methyl ammonium radical ch3nh3  
436 CH3NH3+ protonated methylamine ch3nh3+  
437 CH3PH3+ methyl phosphine, protonated ch3ph3+  
438 NH3NH3 Ammonia Dimer nh3nh3  
439 N2H7+ ammonia ammonium dimer n2h7+  
440 LiO lithium oxide lio  
441 LiO- lithium oxide anion lio-  
442 LiO+ lithium oxide cation lio+  
443 LiS Lithium monosulfide lis  
444 LiS+ Lithium sulfide cation lis+  
445 NaO sodium monoxide nao  
446 NaO- sodium oxide anion nao-  
447 NaO+ sodium oxide cation nao+  
448 KO Potassium monoxide ko  
449 KO+ Potassium monoxide cation ko+  
450 NaS Sodium sulfide nas  
451 CuO Copper Monoxide cuo  
452 LiSe Lithium monoselenide lise  
453 BeO beryllium oxide beo  
454 BeO- Beryllium monoxide anion beo-  
455 BeO+ Beryllium monoxide cation beo+  
456 BeS beryllium sulfide bes  
457 MgO magnesium oxide mgo  
458 MgO- magnesium oxide anion mgo-  
459 MgO+ magnesium oxide cation mgo+  
460 CaO Calcium monoxide cao  
461 MgS magnesium sulfide mgs  
462 MgS- magnesium sulfide anion mgs-  
463 MgS+ magnesium sulfide cation mgs+  
464 CaS Calcium sulfide cas  
465 ZnO zinc monoxide zno  
466 ZnS Zinc sulfide zns  
467 BeS- Beryllium monosulfide anion bes-  
468 BeS+ Beryllium monosulfide cation bes+  
469 BO boron monoxide bo  
470 BO- boron monoxide anion bo-  
471 AlO Aluminum monoxide alo  
472 AlO- Aluminum monoxide anion alo-  
473 AlO+ aluminum monoxide cation alo+  
474 BS boron sulfide bs  
475 BS- boron monosulfide anion bs-  
476 BS+ boron monosulfide cation bs+  
477 AlS Aluminum sulfide als  
478 AlS- aluminum monosulfide anion als-  
479 AlS+ aluminum monosulfide cation als+  
480 ScO Scandium monoxide sco  
481 GaO Gallium monoxide gao  
482 GaS Gallium monosulfide gas  
483 BO+ boron monoxide cation bo+  
484 CO- carbon monoxide anion co-  
485 CO+ carbon monoxide cation co+  
486 CS carbon monosulfide cs  
487 CS- carbon monosulfide anion cs-  
488 CS+ carbon monosulfide cation cs+  
489 SiO Silicon monoxide sio  
490 SiO- silicon monoxide anion sio-  
491 SiO+ silicon monoxide cation sio+  
492 SiS silicon monosulfide sis  
493 SiS- silicon monosulfide anion sis-  
494 SiS+ silicon monosulfide cation sis+  
495 TiO Titanium monoxide tio  
496 CSe Carbon monoselenide cse  
497 CSe- Carbon monoselenide anion cse-  
498 CSe+ Carbon monoselenide cation cse+  
499 GeO Germanium monoxide geo  
500 GeO+ Germanium monoxide cation geo+  
501 GeS Germanium monosulfide ges  
502 SiSe Silicon Monoselenide sise  
503 SiSe+ Silicon Monoselenide cation sise+  
504 GeSe Germanium monoselenide gese  
505 NO- nitric oxide anion no-  
506 NO+ nitric oxide cation no+  
507 NS Mononitrogen monosulfide ns  
508 NS- nitrogen sulfide anion ns-  
509 NS+ nitrogen sulfide cation ns+  
510 PO Phosphorus monoxide po  
511 PO- phosphorus monoxide anion po-  
512 PO+ phosphorus monoxide cation po+  
513 PS phosphorus sulfide ps  
514 PS- phosphorus monosulfide anion ps-  
515 PS+ phosphorus monosulfide cation ps+  
516 VO Vanadium monoxide vo  
517 AsO Arsenic monoxide aso  
518 NSe Nitrogen monoselenide nse  
519 AsS Arsenic monosulfide ass  
520 PSe Phosphorus monoselenide pse  
521 AsSe Arsenic monoselenide asse  
522 O2- oxygen diatomic anion o2-  
523 O2-- dioxygen dianion o2--  
524 O2+ diatomic oxygen cation o2+  
525 SO Sulfur monoxide so  
526 SO- sulfur monoxide anion so-  
527 SO+ sulfur monoxide cation so+  
528 S2 Sulfur diatomic s2  
529 S2- sulfur diatomic anion s2-  
530 S2+ sulfur diatomic cation s2+  
531 SeO Selenium monoxide seo  
532 SeO- selenium monoxide anion seo-  
533 SeO+ selenium monoxide cation seo+  
534 SeS Selenium monosulfide ses  
535 SeS- selenium monosulfide anion ses-  
536 SeS+ selenium monosulfide cation ses+  
537 TeO Tellurium monoxide teo  
538 Se2 Selenium diatomic se2  
539 Se2- selenium diatomic anion se2-  
540 Se2+ selenium diatomic cation se2+  
541 Te2 Tellurium diatomic te2  
542 LiOH lithium hydroxide lioh  
543 NaOH sodium hydroxide naoh  
544 KOH Potassium hydroxide koh  
545 BeOH beryllium monohydroxide beoh  
546 MgOH magnesium hydroxide mgoh  
547 CaOH Calcium monohydroxide caoh  
548 HBO Boron hydride oxide hbo  
549 HBS hydrogen boron sulfide hbs  
550 COH Hydroxymethylidyne coh  
551 COH+ Carbon Monoxide, protonated coh+  
552 HCO Formyl radical hco  
553 HCO- formyl anion hco-  
554 HCO+ Formyl cation hco+  
555 HCS Thioformyl radical hcs  
556 HCS- Thioformyl anion hcs-  
557 HCS+ Thioformyl cation hcs+  
558 HNO Nitrosyl hydride hno  
559 HNO- Nitrosyl hydride anion hno-  
560 HNO+ Nitrosyl hydride cation hno+  
561 NOH Hydroxyimidogen noh  
562 NOH+ O-protonated nitric oxide noh+  
563 HNS Sulfur imide hns  
564 HNS- Sulfur imide anion hns-  
565 HO2 Hydroperoxy radical ho2  
566 HO2- Hydroperoxy anion ho2-  
567 HO2+ Hydroperoxy cation ho2+  
568 HSO+ Sulfur Monoxide, S-protonated HSO+  
569 SOH Sulfur Hydroxide soh  
570 SOH+ Sulfur Monoxide, protonated soh+  
571 HS2 Thiosulfeno radical hs2  
572 H2CO- formaldehyde anion h2co-  
573 H2CO+ formaldehyde cation h2co+  
574 HOCH hydroxycarbene hoch  
575 H2CS Thioformaldehyde h2cs  
576 H2CS- thioformaldehyde anion h2cs-  
577 H2CS+ thioformaldehyde cation h2cs+  
578 H2CSe Selenoformaldehyde h2cse  
579 H2NO nitroxide h2no  
580 H2O2 Hydrogen peroxide h2o2  
581 H2O2+ Hydrogen peroxide cation h2o2+  
582 H2OO water oxide h2oo  
583 HOSH hydrogen thioperoxide hosh  
584 H2S2 Disulfane h2s2  
585 H2S2+ hydrogen disulfide cation h2s2+  
586 H2Se2 hydrogen diselenide h2se2  
587 CH2OH Hydroxymethyl radical ch2oh  
588 CH2OH+ hydroxymethyl cation ch2oh+  
589 CH3O Methoxy radical ch3o  
590 CH3O- methoxy anion ch3o-  
591 CH3O+ Methoxy cation ch3o+  
592 CH3S thiomethoxy ch3s  
593 H2CSH+ Thioformaldehyde, protonated h2csh+  
594 NH2OH hydroxylamine nh2oh  
595 NH2OH+ Hydroxylamine cation nh2oh+  
596 NH3O Ammonia Oxide nh3o  
597 H2POH Phosphinous acid h2poh  
598 H3PO Phosphine oxide h3po  
599 NH2SH Thiohydroxylamine nh2sh  
600 NH3S sulfidoazane nh3s  
601 H3O2+ hydrogen peroxide, protonated h3o2+  
602 CH3OH Methyl alcohol ch3oh  
603 CH3OH- Methyl alcohol anion ch3oh-  
604 CH3OH+ Methyl alcohol cation ch3oh+  
605 CH3SH Methanethiol ch3sh  
606 CH3SH+ Methanethiol cation ch3sh+  
607 SiH3OH silanol sih3oh  
608 CH3SeH Methane selenol ch3seh  
609 NH2OH2+ protonated hydroxylamine nh2oh2+  
610 NH3OH+ N-protonated hydroxylamine nh3oh+  
611 H2OH2O water dimer h2oh2o  
612 CH3OH2+ Methanol, protonated ch3oh2+  
613 CH3SH2+ protonated methylsulfide ch3sh2+  
614 H2ONH3 Water Ammonia Dimer h2onh3  
615 H5O2+ Dihydroxonium ion h5o2+  
616 LiF lithium fluoride lif  
617 LiCl lithium chloride licl  
618 LiCl- lithium chloride anion licl-  
619 LiCl+ lithium chloride cation licl+  
620 NaF sodium fluoride naf  
621 NaF- sodium fluoride anion naf-  
622 NaF+ sodium fluoride cation naf+  
623 KF Potassium Fluoride kf  
624 NaCl Sodium Chloride nacl  
625 NaCl- sodium chloride anion nacl-  
626 NaCl+ sodium chloride cation nacl+  
627 KCl Potassium Chloride kcl  
628 CuF Copper monofluoride cuf  
629 LiBr Lithium Bromide libr  
630 LiBr- lithium bromide anion libr-  
631 LiBr+ lithium bromide cation libr+  
632 CuCl Copper monochloride cucl  
633 NaBr Sodium Bromide nabr  
634 NaBr- sodium bromide anion nabr-  
635 NaBr+ sodium bromide cation nabr+  
636 KBr Potassium Bromide kbr  
637 LiI Lithium Iodide lii  
638 NaI Sodium Iodide nai  
639 KI Potassium Iodide ki  
640 LiF- lithium fluoride anion lif-  
641 LiF+ lithium fluoride cation lif+  
642 BeF Beryllium monofluoride bef  
643 BeF- Beryllium monofluoride anion bef-  
644 BeF+ Beryllium monofluoride cation bef+  
645 BeCl beryllium monochloride becl  
646 MgF Magnesium monofluoride mgf  
647 MgF- magnesium fluoride anion mgf-  
648 MgF+ magnesium fluoride cation mgf+  
649 CaF Calcium monofluoride caf  
650 MgCl magnesium monochloride mgcl  
651 MgCl- magnesium monochloride anion mgcl-  
652 MgCl+ magnesium monochloride cation mgcl+  
653 CaCl calcium monochloride cacl  
654 TiCl Titanium Monochloride ticl  
655 ZnF Zinc monofluoride znf  
656 ZnF- Zinc monofluoride anion znf-  
657 ZnF+ Zinc monofluoride cation znf+  
658 ZnCl Zinc monochloride zncl  
659 CaBr Calcium monobromide cabr  
660 BeCl- beryllium monochloride anion becl-  
661 BeCl+ beryllium monochloride cation becl+  
662 BF- Boron monofluoride anion bf-  
663 BF+ Boron monofluoride cation bf+  
664 AlF Aluminum monofluoride alf  
665 AlF- Aluminum monofluoride anion alf-  
666 AlF+ Aluminum monofluoride cation alf+  
667 BCl boron monochloride bcl  
668 BCl- boron monochloride anion bcl-  
669 BCl+ boron monochloride cation bcl+  
670 AlCl Aluminum monochloride alcl  
671 AlCl- aluminum monochloride anion alcl-  
672 AlCl+ aluminum monochloride cation alcl+  
673 ScF Scandium monofluoride scf  
674 BBr Boron monobromide bbr  
675 GaF Gallium monofluoride gaf  
676 GaF+ Gallium monofluoride cation gaf+  
677 AlBr Aluminum monobromide albr  
678 GaCl Gallium monochloride gacl  
679 GaCl+ Gallium monochloride cation gacl+  
680 AlI Aluminum monoiodide ali  
681 GaBr Gallium monobromide gabr  
682 CF Fluoromethylidyne cf  
683 CF- carbon monofluoride anion cf-  
684 CF+ carbon monofluoride cation cf+  
685 CCl carbon monochloride ccl  
686 CCl- carbon monochloride anion ccl-  
687 CCl+ carbon monochloride cation ccl+  
688 SiF silicon monofluoride sif  
689 SiF- silicon monofluoride anion sif-  
690 SiF+ silicon monofluoride cation sif+  
691 SiCl Clorosilylidyne sicl  
692 SiCl- silicon monochloride anion sicl-  
693 SiCl+ silicon monochloride cation sicl+  
694 CBr Carbon monobromide cbr  
695 GeF Germanium monofluoride gef  
696 GeF+ Germanium monofluoride cation gef+  
697 GeCl Germanium monochloride gecl  
698 GeCl+ Germanium monochloride cation gecl+  
699 SiBr Silicon monobromide sibr  
700 SiBr+ Silicon monobromide cation sibr+  
701 NF nitrogen fluoride nf  
702 NF- nitrogen monofluorine anion nf-  
703 NF+ nitrogen monofluoirde cation nf+  
704 NCl nitrogen monochloride ncl  
705 NCl- nitrogen monochloride anion ncl-  
706 NCl+ nitrogen monochloride cation ncl+  
707 PF phosphorus monofluoride pf  
708 PF- phosphorus monofluoride anion pf-  
709 PF+ phosphorus monofluoride cation pf+  
710 PCl phosphorus chloride pcl  
711 PCl- phosphorus monochloride anion pcl-  
712 PCl+ phosphorus monochloride cation pcl+  
713 AsF Arsenic monofluoride asf  
714 NBr nitrogen monobromide nbr  
715 AsCl Arsenic monochloride ascl  
716 PBr Phosphorus monobromide pbr  
717 SbF Antimony monofluoride sbf  
718 SbCl Antimony monochloride sbcl  
719 FO Oxygen monofluoride fo  
720 FO- flourine oxide anion fo-  
721 FO+ fluorine monoxide cation fo+  
722 ClO Monochlorine monoxide clo  
723 ClO- chlorine monoxide anion clo-  
724 ClO+ chlorine monoxide cation clo+  
725 SF Monosulfur monofluoride sf  
726 SF- sulfur monofluoride anion sf-  
727 SF+ sulfur monofluoride cation sf+  
728 SCl sulfur monochloride scl  
729 SCl- sulfur monochloride anion scl-  
730 SCl+ sulfur monochloride cation scl+  
731 BrO Bromine monoxide bro  
732 BrO- Bromine monoxide anion bro-  
733 BrO+ Bromine monoxide cation bro+  
734 SeF Selenium monofluoride sef  
735 SBr Sulfur monobromide radical sbr  
736 SBr+ Sulfur monobromide cation sbr+  
737 SeCl Selenium monochloride secl  
738 IO Iodine monoxide io  
739 SeBr Selenium monobromide sebr  
740 BrCl Bromine monochloride brcl  
741 F2- flourine diatomic anion f2-  
742 F2+ flourine diatomic cation f2+  
743 ClF Chlorine monofluoride clf  
744 ClF- clorine monofluoride anion clf-  
745 ClF+ clorine monofluoride cation clf+  
746 Cl2- chlorine diatomic anion cl2-  
747 Cl2+ chlorine diatomic cation cl2+  
748 BrF Bromine monofluoride brf  
749 BrF- bromine fluoride anion brf-  
750 BrF+ bromine fluoride cation brf+  
751 BrCl- bromine chloride anion brcl-  
752 BrCl+ bromine chloride cation brcl+  
753 IF Iodine monofluoride if  
754 Br2 Bromine diatomic br2  
755 Br2- bromine diatomic anion br2-  
756 Br2+ bromine diatomic cation br2+  
757 ICl Iodine monochloride icl  
758 IBr Iodine monobromide ibr  
759 I2 Iodine diatomic i2  
760 I2+ Iodine diatomic cation i2+  
761 HCF Fluoromethylene hcf  
762 HCCl Chloromethylene hccl  
763 HSiF fluorosilylene hsif  
764 HSiCl Chlorosilylene hsicl  
765 HSiBr monobromosilylene hsibr  
766 CHBr bromomethylene chbr  
767 HOF Hypofluorous acid hfo  
768 DOCl Hypochlorous acid-d docl  
769 HOCl hypochlorous acid hocl  
770 HOCl+ hypochlorous acid cation hocl+  
771 HOBr Hypobromous acid hobr  
772 HOBr+ Hypobromous acid cation hobr+  
773 HOI Hypoiodous acid hoi  
774 F2H+ Fluorine, protonated f2h+  
775 FHF Hydrogen difluoride fhf  
776 FHF- Hydrogen difluoride anion fhf-  
777 ClFH+ Chlorine fluoride, F-protonated clfh+  
778 FClH+ Chlorine fluoride, Cl-protonated fclh+  
779 Cl2H+ Chlorine, protonated cl2h+  
780 CH2Br bromomethyl radical ch2br  
781 CH2F fluoromethyl radical ch2f  
782 CH2F+ fluoromethyl cation ch2f+  
783 CH2Cl+ chloromethyl cation ch2cl+  
784 CH2Cl chloromethyl radical ch2cl  
785 NH2F monofluoroamine nh2f  
786 NH2Cl chloramine nh2cl  
787 H2F2 Hydrogen fluoride dimer h2f2  
788 CH3F+ methyl fluoride cation ch3f+  
789 CD3F methylfluoride-d3 cd3f  
790 CH3F Methyl fluoride ch3f  
791 CD3Cl methyl chloride d3 cd3cl  
792 CH3Cl Methyl chloride ch3cl  
793 CH3Cl+ Methyl chloride cation ch3cl+  
794 SiH3F monofluorosilane sih3f  
795 SiH3Cl chlorosilane sih3cl  
796 CH3Br methyl bromide ch3br  
797 GeH3F monofluorogermane geh3f  
798 GeH3Cl monochlorogermane geh3cl  
799 SiH3Br bromosilane sih3br  
800 CH3I methyl iodide ch3i  
801 SiH3I Silyl Iodide sih3i  
802 NH3Cl+ protonated monochloroammonia nh3cl+  
803 CH3ClH+ methyl chloride, protonated ch3clh+  
804 NH4Cl Ammonium chloride nh4cl  
805 LiNe+ Lithium Neon cation line+  
806 Ne2 Neon diatomic ne2  
807 Ne2+ Neon diatomic cation ne2+  
808 Ar2 Argon diatomic ar2  
809 Ar2+ Argon diatomic cation ar2+  
810 Li3 Lithium trimer li3  
811 Li3+ Lithium trimer cation li3+  
812 C3 carbon trimer c3  
813 C3+ carbon trimer cation c3+  
814 SiC2 Silicon dicarbide sic2  
815 C3H3 cyclopropenyl radical cpr  
816 C3H3 Propargyl radical propargyl  
817 C3H3- Propargyl anion c3h3-  
818 C3H3+ cyclopropenyl cation cpr+  
819 C3H3+ Propargyl cation c3h3+  
820 C3H4 cyclopropene cprop  
821 CH2CCH2 allene allene  
822 CH3CCH propyne propyne  
823 C3H5 Allyl radical allyl  
824 C3H5+ Allyl cation allyl+  
825 CH3CHCH 1-propenyl radical ch3chch  
826 Zn(CH3)2 dimethyl zinc dmz  
827 C3H7 n-Propyl radical npropyl  
828 C3H7+ cyclopropane, protonated c3h7+  
829 CH3CHCH3 Isopropyl radical isopropyl  
830 CH3CHCH3+ Isopropyl cation prop2yl+  
831 C3H8 Propane propane  
832 SiH2(CH3)2 dimethylsilane dms  
833 Si3H8 trisilane si3h8  
834 LiCN lithium cyanide licn  
835 NaCN Sodium Cyanide nacn  
836 KCN Potassium cyanide kcn  
837 CuCN Copper cyanide cucn  
838 ZnCN Zinc monocyanide zncn  
839 ZnNC Zinc isocyanide znnc  
840 AlCN Aluminum monocyanide alcn  
841 AlNC Aluminum isocyanide alnc  
842 CN2 3H-Diazirin-3-ylidene cn2  
843 CNN Diazocarbene cnn  
844 NCN Cyanoimidogen ncn  
845 N3 azide radical n3  
846 N3- azide anion n3-  
847 N3+ azide cation n3+  
848 HCCN cyanomethylene hccn  
849 HCNN diazomethyl radical hcnn  
850 HN3 hydrogen azide hn3  
851 HN3+ Hydrazoic acid cation hn3+  
852 HNCNH diiminomethane hncnh  
853 CH2N2 diazirine ch2n2  
854 CH2NN diazomethane ch2nn  
855 NH2CN cyanamide cyanamide  
856 HNNNH+ 1,2-Triazadienium n2h3+  
857 NH2NN+ hydrazoic acid, protonated nh2nn+  
858 CH3CN Acetonitrile ch3cn  
859 CH3CN- acetonitrile anion ch3cn-  
860 CH3CN+ Acetonitrile cation ch3cn+  
861 CH3NC methyl isocyanide ch3nc  
862 CHNCH2 2H-Azirine c157164  
863 CHNHCH 1H-Azirine chnhch  
864 H2CCNH Ethenimine ch2cnh  
865 H2CNCH methyleneaminomethylene ch2nch  
866 HCCNH2 Ethynamine hccnh2  
867 HCNCH2+ 2H-Azirine cation hcnch2+  
868 HNCNH2+ diiminomethane, protonated hncnh2+  
869 NCNH3+ Cyanamide, protonated ncnh3+  
870 NH2CNH+ cyanamide, cn protonated nh2cnh+  
871 NH3CN+ cyanamide, amine protonated nh3cn+  
872 CH2CHNH vinylazine ch2chnh  
873 CH3CHN methylmethaniminyl radical ch3chn  
874 NHCHNH2 aminomethanimine cn2h4  
875 C2H5N Aziridine c2h5n  
876 CH2CHNH2 aminoethene aminoethene  
877 CH2NCH3 N-methylmethanimine nmm  
878 CH3CHNH ethanimine ethanimine  
879 NH2BHNH2 diaminoborane nh2bhnh2  
880 C2H5NH+ Protonated Aziridine c2h5nh+  
881 C2H6N+ aziridine, protonated c2h6n+  
882 NH2CH2NH2 diaminomethane nh2ch2nh2  
883 CH3CH2NH2 Ethylamine etam  
884 CH3NHCH3 Dimethylamine ch3nhch3  
885 CH3PHCH3 dimethylphosphine ch3phch3  
886 NH2CH2NH3+ diaminoethane, protonated pdam  
887 (CH3)2NH2+ dimethylammonium cation dmam  
888 CH3CH2NH3+ ethylamine, protonated pea  
889 Li2O dilithium oxide li2o  
890 Li2O+ dilithium oxide cation li2o+  
891 Li2S dilithium sulfide li2s  
892 Na2O disodium monoxide na2o  
893 Na2S Sodium sulfide na2s  
894 LiO2 Lithium dioxide lio2  
895 NaO2 Sodium superoxide nao2  
896 CCO Dicarbon monoxide cco  
897 CNO- fulminate cno-  
898 NCO isocyanato radical nco  
899 NCO- cyanate nco-  
900 SCN thiocyanato radical scn  
901 SCN- thiocyanide anion scn-  
902 BO2 Boron dioxide bo2  
903 BO2- Boron dioxide anion bo2-  
904 BO2+ Boron dioxide cation bo2+  
905 N2O Nitrous oxide n2o  
906 N2O- Nitrous oxide anion n2o-  
907 N2O+ Nitrous oxide cation n2o+  
908 NNS Nitrogen sulfide nns  
909 PPO Phosphorus oxide phosphide ppo  
910 CO2- Carbon dioxide anion co2-  
911 CO2+ Carbon dioxide cation co2+  
912 OCS Carbonyl sulfide cos  
913 OCS+ Carbonyl sulfide cation cos+  
914 SiO2 silicon dioxide sio2  
915 CS2 Carbon disulfide cs2  
916 CS2- Carbon disulfide anion cs2-  
917 CS2+ Carbon disulfide cation cs2+  
918 TiO2 Titanium dioxide tio2  
919 SiS2 Silicon disulfide sis2  
920 GeO2 Germanium dioxide geo2  
921 OCSe Carbonyl selenide ocse  
922 SCSe Carbon sulfide selenide scse  
923 GeS2 Germanium disulfide ges2  
924 CSe2 Carbon diselenide cse2  
925 SCTe Carbon sulfide Telluride scte  
926 NO2 Nitrogen dioxide no2  
927 NO2- Nitrogen dioxide anion no2-  
928 NO2+ Nitrogen dioxide cation no2+  
929 NSO sulfinyl amidogen NSO  
930 PO2 Phosphorus dioxide po2  
931 PO2- Phosphorus dioxide anion po2-  
932 PO2+ Phosphorus dioxide cation po2+  
933 SNO Nitrogen oxide sulfide sno  
934 AsO2 Aresenic dioxide aso2  
935 O3 Ozone o3  
936 O3- Ozone anion o3-  
937 O3+ Ozone cation o3+  
938 SO2- Sulfur dioxide anion so2-  
939 SO2+ Sulfur dioxide cation so2+  
940 SSO Disulfur monoxide sso  
941 S3 Sulfur trimer s3  
942 S3- Sulfur trimer anion s3-  
943 S3+ Sulfur trimer cation s3+  
944 SeO2 Selenium dioxide seo2  
945 SeO2+ Selenium dioxide cation seo2+  
946 TeO2 Tellurium Dioxide teo2  
947 HCCO ketenyl radical ketenyl  
948 CS2H+ Carbon disulfide, protonated cs2h+  
949 HCNO fulminic acid hcno  
950 HNCO Isocyanic acid hnco  
951 HOCN cyanic acid hocn  
952 HNCS Isothiocyanic acid hncs  
953 HSCN thiocyanic acid hscn  
954 HCO2- formate anion hco2-  
955 HNNO nitrosoazane hnno  
956 HNNO+ Nitrous oxide, N-protonated hnno+  
957 NNOH+ Nitrous Oxide, O-protonated nnoh+  
958 HCOO formate neutral radical hcoo  
959 HOCO Hydrocarboxyl radical hoco  
960 HOCO+ Hydrocarboxyl cation hoco+  
961 HNO2 Nitrous acid hno2  
962 HNO2+ nitrous acid cation hno2+  
963 O3H+ protonated ozone o3h+  
964 SO2H+ protonated sulfur dioxide so2h+  
965 C2H2O Oxirene oxirene  
966 CH2CO Ketene ch2co  
967 CH2CO+ Ketene cation ch2co+  
968 HCCOH ethynol hccoh  
969 CH2CS Thioketene ch2cs  
970 Be(OH)2 Beryllium hydroxide beo2h2  
971 Mg(OH)2 Magnesium dihydroxide h2mgo2  
972 NH2NO Nitrosamide nh2no  
973 CH2O2 Dioxirane diox  
974 H2COO Dioxymethyl radical h2coo  
975 H2COO+ dioxymethyl cation h2coo+  
976 HCOOH Formic acid ch2o2  
977 H2O3 Hydrogen trioxide h2o3  
978 HSSSH trisulfane hsssh  
979 NaOCH3 Sodium methoxide naoch3  
980 CH2BOH hydroxy(methylene)borane ch2boh  
981 BH3CO Borane carbonyl bh3co  
982 CH3BO Borane, methyloxo- ch3bo  
983 CH2CHO Vinyloxy radical ch2cho  
984 CH2COH+ ketene, protonated ch2coh+  
985 CH3CO Acetyl radical ch3co  
986 CH3CO- Acetyl anion ch3co-  
987 CH3CO+ acetyl cation ch3co+  
988 CH2NOH formaldoxime ch2noh  
989 CH3NO nitrosomethane ch3no  
990 CHONH2 formamide formamide  
991 CNOH3 1,2-oxaziridine cnoh3  
992 HOCHNH hydroxymethylimine hochnh  
993 CHSNH2 thioformamide chsnh2  
994 NHCHSH Methanimidothioic acid nhchsh  
995 CH2OOH CH2OOH radical ch2ooh  
996 CH3OO methylperoxy radical ch3oo  
997 CH3OO- methylperoxy anion ch3oo-  
998 CH3OO+ methylperoxy cation ch3oo+  
999 C2H4O Ethylene oxide c2h4o  
1000 C2H4O+ ethylene oxide cation c2h4o+  
1001 CH2CHOH ethenol ch2choh  
1002 CH3CHO Acetaldehyde ch3cho  
1003 CH3CHO+ acetaldehyde cation ch3cho+  
1004 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
1005 C2H4S Thiirane thiirane  
1006 CH2CHSH Ethenethiol ch2chsh  
1007 CH3CHS Thioacetaldehyde ch3chs  
1008 H2CONH2+ protonated formamide h2conh2+  
1009 NH2CHOH+ Formamide, O-protonated nh2choh+  
1010 NH3CHO+ Formamide, N-Protonated nh3cho+  
1011 CH2(OH)2 methanediol ch2o2h2  
1012 CH3OOH Methyl peroxide ch3ooh  
1013 CH3SSH Hydrogen methyl disulfide ch3ssh  
1014 HSCH2SH Methanedithiol ch4s2  
1015 H2OH2CO water formaldehyde dimer h2oh2co  
1016 C2H4OH+ ethylene oxide, protonated c2h4oh+  
1017 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1018 CH3CH2O Ethoxy radical ethoxy  
1019 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1020 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1021 CH3OCH2 methoxymethyl radical ch3och2  
1022 NH2CH2OH aminomethanol nh2ch2oh  
1023 CH3CH2OH Ethanol etoh  
1024 CH3OCH3 Dimethyl ether meome  
1025 CH3CH2SH ethanethiol etsh  
1026 CH3SCH3 Dimethyl sulfide mesme  
1027 CH3SCH3+ dimethyl sulfide cation mesme+  
1028 CH3SeCH3 dimethylselenide dmse  
1029 CH3OHH2O methanol water dimer ch3ohh2o  
1030 H2OCH3OH water methanol dimer h2och3oh  
1031 CuF2 Copper difluoride cuf2  
1032 ZnF2 Zinc difluoride znf2  
1033 CNF iso cyanogen fluoride cnf  
1034 FCN Cyanogen fluoride fcn  
1035 ClCN chlorocyanogen clcn  
1036 BrCN Cyanogen bromide brcn  
1037 ICN Cyanogen iodide icn  
1038 FBO Boron monofluoride monoxide fbo  
1039 BeF2 Beryllium fluoride bef2  
1040 MgF2 Magnesium fluoride mgf2  
1041 BeCl2 Beryllium chloride becl2  
1042 MgCl2 Magnesium dichloride mgcl2  
1043 CaCl2 Calcium Chloride cacl2  
1044 ZnCl2 Zinc dichloride zncl2  
1045 BeBr2 Beryllium bromide bebr2  
1046 CaBr2 Calcium dibromide cabr2  
1047 CaF2 Calcium difluoride caf2  
1048 FCO Carbonyl fluoride fco  
1049 FCO+ Carbonyl fluoride cation fco+  
1050 ClCO carbonyl monochloride clco  
1051 BF2 Boron difluoride radical bf2  
1052 FNO Nitrosyl fluoride fno  
1053 ClNO Nitrosyl chloride clno  
1054 FNS Thionitrosyl fluoride fns  
1055 FSN Thiazyl fluoride fsn  
1056 OPCl Phosphorus oxychloride opcl  
1057 BrNO Nitrosyl bromide brno  
1058 INO Nitrosyl iodide ino  
1059 CF2 Difluoromethylene cf2  
1060 CF2- Difluoromethylene anion cf2-  
1061 CF2+ Difluoromethylene cation cf2+  
1062 CFCl chlorofluoromethylene cfcl  
1063 SiF2 Silicon difluoride sif2  
1064 SiF2+ Silicon difluoride cation sif2+  
1065 CCl2 dichloromethylene ccl2  
1066 CCl2- dichloromethylene anion ccl2-  
1067 CCl2+ dichloromethylene cation ccl2+  
1068 SiCl2 Dichlorosilylene sicl2  
1069 GeF2 Germanium difluoride gef2  
1070 GeCl2 Germanium dichloride gecl2  
1071 CBr2 dibromomethylene cbr2  
1072 FOO Dioxygen monofluoride radical foo  
1073 FOO+ Fluorine dioxide cation foo+  
1074 ClOO chloroperoxy radical cloo  
1075 ClOO+ chloroperoxy cation cloo+  
1076 OClO Chlorine dioxide oclo  
1077 OClO- Chlorine dioxide anion oclo-  
1078 OClO+ Chlorine dioxide cation oclo+  
1079 ClSO Sulfur chloride oxide clso  
1080 ClS2 Sulfur chloride cls2  
1081 BrOO Bromine dioxide broo  
1082 OBrO Bromine dioxide radical obro  
1083 NF2 Difluoroamino radical nf2  
1084 NF2+ Difluoroamino cation nf2+  
1085 PF2 Phosphorus difluoride pf2  
1086 PF2+ Phosphorus difluoride cation pf2+  
1087 FClO chlorosyl fluoride fclo  
1088 F2O Difluorine monoxide f2o  
1089 ClOF Chlorine hypofluorite clof  
1090 SF2 sulfur difluoride sf2  
1091 SF2- sulfur difluoride anion sf2-  
1092 SF2+ sulfur difluoride cation sf2+  
1093 Cl2O Dichlorine monoxide cl2o  
1094 SCl2 Sulfur dichloride scl2  
1095 SeF2 Selenium difluoride sef2  
1096 BrOCl Bromine hypochlorite brocl  
1097 SeCl2 Selenium Dichloride secl2  
1098 SBr2 Sulfur dibromide sbr2  
1099 SeBr2 Selenium dibromide sebr2  
1100 BrOBr Bromine oxide brobr  
1101 F3- trifluoride anion f3-  
1102 Cl3- trichloride anion cl3-  
1103 Br3- tribromide anion br3-  
1104 I3- triiodide i3-  
1105 SFCl Sulfur chloride fluoride sfcl  
1106 HCCF Fluoroacetylene hccf  
1107 HCCF+ fluoroacetylene cation hccf+  
1108 HCCCl Chloroacetylene hcccl  
1109 HCCBr bromoacetylene hccbr  
1110 HFCO formyl fluoride hfco  
1111 HFCO+ formyl fluoride cation hfco+  
1112 COHCl Formyl chloride cohcl  
1113 COHBr Formyl bromide cohbr  
1114 BHF2 Difluoroborane bhf2  
1115 BHCl2 Borane, dichloro- bhcl2  
1116 CHCl2 dichloromethyl radical chcl2  
1117 CHF2 difluoromethyl radical chf2  
1118 CHF2+ difluoromethyl cation chf2+  
1119 CHFCl Chlorofluoromethyl radical chfcl  
1120 CHFCl+ Chlorofluoromethyl cation chfcl+  
1121 CHCl2+ dichloromethyl cation chcl2+  
1122 CHBr2 dibromomethyl radical chbr2  
1123 HOClO Chlorous acid hoclo  
1124 NHF2 difluoramine nhf2  
1125 NHCl2 dichloroamine nhcl2  
1126 CH2F2 Methane, difluoro- ch2f2  
1127 CH2FCl fluorochloromethane ch2fcl  
1128 SiH2F2 difluorosilane sih2f2  
1129 CH2Cl2 Methylene chloride ch2cl2  
1130 CH2BrF Methane, bromofluoro- ch2fbr  
1131 CH2BrCl Methane, bromochloro- ch2clbr  
1132 CH2FI fluoroiodomethane ch2fi  
1133 CH2Br2 dibromomethane ch2br2  
1134 CH2ClI chloroiodomethane ch2cli  
1135 CH2BrI bromoiodomethane ch2bri  
1136 CH2I2 Diiodomethane ch2i2  
1137 SiH2Cl2 dichlorosilane sih2cl2  
1138 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1139 CH2CHF Ethene, fluoro- ch2chf  
1140 CH2CHF+ fluoroethene cation ch2chf+  
1141 C2H3Cl Ethene, chloro- ch2chcl  
1142 C2H3Br vinyl bromide c2h3br  
1143 C2H3I Vinyl iodide c2h3i  
1144 CH2FOH fluoromethanol ch2foh  
1145 CH3OCl methyl hypochlorite ch3ocl  
1146 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1147 CHClCH3 1-chloroethyl radical chclch3  
1148 C2H5F fluoroethane c2h5f  
1149 CH3CH2Cl Ethyl chloride c2h5cl  
1150 CH3SiFH2 fluoromethylsilane ch3sifh2  
1151 C2H5Br Ethyl bromide etbr  
1152 C2H5I Ethyl iodide c2h5i  
1153 KrF2 Krypton difluoride krf2  
1154 XeF2 Xenon difluoride xef2  
1155 B4H10 Tetraborane(10) b4h10  
1156 C4 Carbon tetramer c4  
1157 C4+ Carbon tetramer cation c4+  
1158 C4H2 Diacetylene c4h2  
1159 C4H2+ diacetlyene cation c4h2+  
1160 C2H3CCH 1-Buten-3-yne c2h3cch  
1161 C4H4 cyclobutadiene cbd  
1162 C4H4 Tetrahedrane c4h4  
1163 H2CCCCH2 Butatriene h2cccch2  
1164 C4H6 1-Methylcyclopropene c3100047  
1165 C4H6 Cyclobutene c822355  
1166 C4H6 Methylenecyclopropane c6142730  
1167 CH2CCHCH3 1,2-Butadiene butad12  
1168 CH2CHCHCH2 1,3-Butadiene c106990  
1169 CH3CCCH3 2-Butyne c503173  
1170 CHCCH2CH3 1-Butyne c107006  
1171 CH3CHCHCH2 methylallyl radical c4h7  
1172 C4H8 methylcyclopropane mcp  
1173 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1174 CH2CHCH2CH3 1-Butene bute1  
1175 CH3CHCHCH3 2-Butene, (E)- bute2e  
1176 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1177 B(CH3)3 trimethylborane bme3  
1178 Al(CH3)3 trimethyl aluminum tma  
1179 C(CH3)3 Tert-butyl radical tbutyl  
1180 CH2CH(CH3)2 Isobutyl radical isobutyl  
1181 CH3CHCH2CH3 2-Butyl radical butyl2  
1182 CH3CH(CH3)CH3 Isobutane isobutane  
1183 CH3CH2CH2CH3 Butane butane  
1184 SiH(CH3)3 trimethylsilane trimsi  
1185 Li3N trilithium nitride li3n  
1186 C2N2 Cyanogen c2n2  
1187 C2N2+ Cyanogen cation c2n2+  
1188 P4 Phosphorus tetramer p4  
1189 As4 Arsenic tetramer as4  
1190 HCCCN Cyanoacetylene hcccn  
1191 HCCCN+ Cyanoacetylene cation hcccn+  
1192 H2CNCN cyanamide, methylene ch2ncn  
1193 HNCCNH Ethenediimine hnccnh  
1194 C3H3N acrylonitrile ch2chcn  
1195 C3H3N+ acrylonitrile cation ch2chcn+  
1196 CH3N3 methyl azide ch3n3  
1197 NH2CCNH2 Diaminoacetylene daa  
1198 NH2CH2CN Aminoacetonitrile aan  
1199 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1200 C2H5CN ethyl cyanide c2h5cn  
1201 CH5N3 Guanidine guanidine  
1202 C4H6 Bicyclo[1.1.0]butane c157335  
1203 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1204 H2NCHCHNH2 diaminoethylene dae  
1205 CH6N3+ guanidinium ch6n3+  
1206 C3H7N Cyclopropylamine cpram  
1207 CH7N3 triaminomethane tam  
1208 C3H7N Azetidine azet  
1209 C4H8 cyclobutane cbutane  
1210 C2H8N2 Ethylenediamine ethdiam  
1211 CH3NHNHCH3 dimethyl hydrazine dmh  
1212 CH3CH(NH2)CH3 2-Propanamine pram2  
1213 N(CH3)3 Trimethylamine trimeam  
1214 NH2CH2CH2CH3 1-Propanamine pram1  
1215 P(CH3)3 trimethylphosphine tmp  
1216 N(SiH3)3 trisilylamine tsa  
1217 As(CH3)3 trimethyl arsine tmas  
1218 (CH3)3NH+ protonated trimethyl amine ptma  
1219 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1220 Li2O2 dilithium dioxide li2o2  
1221 Na2O2 disodium dioxide na2o2  
1222 K2O2 dipotassium dioxide k2o2  
1223 C3O Tricarbon monoxide c3o  
1224 B2O2 Diboron dioxide b2o2  
1225 ONNO NO dimer onno  
1226 S2N2 Disulfur dinitride s2n2  
1227 CO3 Carbon trioxide co3  
1228 CO3-- carbonate co3--  
1229 CS3-- Carbonotrithioate cs3--  
1230 NO3 Nitrogen trioxide no3  
1231 NO3- nitrate anion no3-  
1232 NO3+ nitrogen trioxide cation no3+  
1233 SO3 Sulfur trioxide so3  
1234 SO3- Sulfur trioxide anion so3-  
1235 SO3-- Sulfate dianion so3--  
1236 SO3+ Sulfur trioxide cation so3+  
1237 SeO3 selenium trioxide seo3  
1238 S4 Sulfur tetramer s4  
1239 TeO3 Tellurium trioxide teo3  
1240 HCO3- bicarbonate anion hco3-  
1241 HNO3 Nitric acid hno3  
1242 HSO3 Hydroxysulfonyl radical hso3  
1243 NH2NO2 nitramide nh2no2  
1244 C2H2CO cyclopropenone c2h2co  
1245 C3H2O Propadienal c3h2o  
1246 HCCCHO 2-propynal hcccho  
1247 C2H2O2 Ethanedial c2h2o2  
1248 C2H2O2+ Ethanedial cation c2h2o2+  
1249 H2CO3 Carbonic acid h2co3  
1250 H2CS3 thiocarbonic acid h2cs3  
1251 H2NO3+ Nitric Acid, Protonated h2no3+  
1252 H2SO3 Sulfurous acid h2so3  
1253 C2H3NO Nitrosoethylene c2h3no  
1254 CH3NCO methylisocyante ch3nco  
1255 HOCH2CN cyanomethanol hoch2cn  
1256 CH3COO- acetate anion ch3coo-  
1257 CH3NO2 Methane, nitro- ch3no2  
1258 CH3ONO Methyl nitrite ch3ono  
1259 NH2COOH Carbamic acid nh2cooh  
1260 H3BO3 Boric acid h3bo3  
1261 H3AlO3 Aluminum hydroxide h3alo3  
1262 H3CO3+ carbonic acid, protonated h3co3+  
1263 C3H4O 2-Propyn-1-ol c107197  
1264 C3H4O allenol c9000071  
1265 C3H4O Cyclopropanone cpone  
1266 C3H4O Methylketene c6004440  
1267 CH2CHCHO Acrolein c3h4o  
1268 NH2CONH2 Urea urea  
1269 NH2CONH2+ Urea cation urea+  
1270 NH2CSNH2 Thiourea thiourea  
1271 C2H4O2 1,3-dioxetane c2h4o2  
1272 CH3COOH Acetic acid ch3cooh  
1273 CH3OCHO methyl formate ch3ocho  
1274 CHOCH2OH hydroxy acetaldehyde haa  
1275 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1276 NH3COOH+ protonated Carbamic acid nh3cooh+  
1277 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1278 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1279 HCOOHH2O Formic acid water dimer hcoohh2o  
1280 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1281 CH3COCH2 Acetonyl radical ch3coch2  
1282 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1283 CH3C(OH)=NH Ethaninidic acid eia  
1284 CH3CHNOH Acetaldoxime acetaldoxime  
1285 CH3CONH2 Acetamide acetamide  
1286 HCONHCH3 N-methylformamide nmfa  
1287 CH3CSNH2 Ethanethioamide ch3csnh2  
1288 CH5N2O+ urea, N-protonated ch4n2o+  
1289 H2NCOHNH2+ urea, protonated ureah+  
1290 C2H5OO ethylperoxy radical c2h5oo  
1291 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1292 C3H5OH Cyclopropanol cproh  
1293 C3H6O 2-Propen-1-ol c107186  
1294 C3H6O Acetone enol enol  
1295 C3H6O Oxetane oxetane  
1296 C3H6O Propylene oxide prox  
1297 CH3CH2CHO Propanal propanal  
1298 CH3COCH3 Acetone acetone  
1299 CH3COCH3- acetone anion ch3coch3-  
1300 C3H6S Thietane thietane  
1301 C3H6S Thiirane, methyl- methiirane  
1302 CH3CSCH3 Thioacetone ch3csch3  
1303 C2H6O2 1,2-Ethanediol ethdiol  
1304 CH3OOCH3 dimethylperoxide dmp  
1305 CH3SOCH3 Dimethyl sulfoxide dmso  
1306 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1307 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1308 CH3COHCH3+ acetone, protonated acetoneh+  
1309 HOCH2CH2NH2 monoethanolamine mea  
1310 C3H7OH 1-Propanol proh  
1311 CH3CHOHCH3 Isopropyl alcohol isoproh  
1312 CH3OC2H5 Ethane, methoxy- etome  
1313 C3H7SH 1-Propanethiol prsh  
1314 CH3CHSHCH3 2-Propanethiol isoprsh  
1315 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1316 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1317 Li2F2 Lithium fluoride dimer li2f2  
1318 Na2F2 Sodium Fluoride Dimer na2f2  
1319 Na2Cl2 Disodium dichloride na2cl2  
1320 C2F2 difluoroacetylene c2f2  
1321 C2Cl2 dichloroacetylene c2cl2  
1322 C2Cl2+ dichloroacetylene cation c2cl2+  
1323 FNO2 Nitryl fluoride fno2  
1324 FONO Nitrosyl hypofluorite fono  
1325 ClNO2 Nitryl chloride clno2  
1326 ClONO chlorine nitrite clono  
1327 BrONO Bromine nitrite brono  
1328 N2F2 (Z)-Difluorodiazene n2f2_z  
1329 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1330 CF2O Carbonic difluoride f2co  
1331 CF2O+ Carbonic difluoride cation f2co+  
1332 COFCl Carbonic chloride fluoride cofcl  
1333 CCl2O Phosgene cl2co  
1334 Cl2CS Thiophosgene cl2cs  
1335 COBr2 Carbonic dibromide cobr2  
1336 BF3- Borane, trifluoro- anion bf3-  
1337 BF3+ boron trifluoride cation bf3+  
1338 BClF2 Chlorodifluoroborane bclf2  
1339 AlF2Cl Aluminum chloride difluoride alclf2  
1340 ScF3 Scandium trifluoride ScF3  
1341 AlFCl2 Aluminum dichloride fluoride alcl2f  
1342 BCl3 Borane, trichloro- bcl3  
1343 BCl3+ Boron Trichloride cation bcl3+  
1344 GaF3 Gallium trifluoride gaf3  
1345 AlCl3 Aluminum trichloride alcl3  
1346 GaCl3 Gallium trichloride gacl3  
1347 BBr3 Boron tribromide bbr3  
1348 AlBr3 Aluminum Bromide albr3  
1349 ClO3 Chlorine trioxide clo3  
1350 ClO3- chlorate anion clo3-  
1351 BrO3- Bromate anion bro3-  
1352 CF3 Trifluoromethyl radical cf3  
1353 CF3- Trifluoromethyl anion cf3-  
1354 CF3+ Trifluoromethyl cation cf3+  
1355 CF2Cl difluorochloromethyl radical cf2cl  
1356 SiF3 Silicon trifluoride radical sif3  
1357 SiF3+ Silicon trifluoride cation sif3+  
1358 CFCl2 dichlorofluoromethyl radical cfcl2  
1359 CCl3 Trichloromethyl radical ccl3  
1360 CCl3- Trichloromethyl anion ccl3-  
1361 CCl3+ Trichloromethyl cation ccl3+  
1362 SiCl3 trichlorosilyl radical sicl3  
1363 SiCl3+ trichlorosilyl cation sicl3+  
1364 CBr3 tribromomethyl radical cbr3  
1365 FOOF Perfluoroperoxide foof  
1366 ClO2F Chloryl fluoride clo2f  
1367 F2SO Thionyl Fluoride f2so  
1368 ClOOCl Dichlorine dioxide cloocl  
1369 FSSF Difluorodisulfane fssf  
1370 S2F2 Thio-thionyl fluoride s2f2  
1371 SOCl2 thionyl chloride socl2  
1372 SSCl2 Thiothionyl chloride sscl2  
1373 SeOCl2 selenium oxychloride seocl2  
1374 NF3 Nitrogen trifluoride nf3  
1375 NF3- Nitrogen trifluoride anion nf3-  
1376 NF3+ Nitrogen trifluoride cation nf3+  
1377 PF3 Phosphorus trifluoride pf3  
1378 NCl3 nitrogen trichloride ncl3  
1379 AsF3 Arsenic trifluoride asf3  
1380 PCl3 Phosphorus trichloride pcl3  
1381 SbF3 Antimony Trifluoride sbf3  
1382 AsCl3 Arsenous trichloride ascl3  
1383 SbCl3 Antimony Trichloride sbcl3  
1384 NBr3 Nitrogen Tribromide nbr3  
1385 PBr3 Phosphorus tribromide pbr3  
1386 AsBr3 Arsenic tribromide asbr3  
1387 NI3 Nitrogen triiodide ni3  
1388 PI3 Phosphorus triiodide pi3  
1389 ClSSCl Disulfur dichloride s2cl2  
1390 SF3 Sulfur trifluoride sf3  
1391 ClF3 Chlorine trifluoride clf3  
1392 BrF3 Bromine trifluoride brf3  
1393 IF3 iodone trifluoride if3  
1394 HClO3 Chloric Acid hclo3  
1395 CHF3 Methane, trifluoro- chf3  
1396 CHF2Cl difluorochloromethane chf2cl  
1397 SiHF3 trifluorosilane sihf3  
1398 CHFCl2 fluorodichloromethane chfcl2  
1399 CDCl3 trichloromethane-d cdcl3  
1400 CHCl3 Chloroform chcl3  
1401 CHBrF2 Methane, bromodifluoro- chbrf2  
1402 SiHCl3 Trichlorosilane sihcl3  
1403 CHFClBr fluorochlorobromomethane chfclbr  
1404 CHBrCl2 Methane, bromodichloro- chbrcl2  
1405 CHF2I difluoroiodomethane chf2i  
1406 CHBr2F dibromofluoromethane chbr2f  
1407 CHFClI fluorochloroiodomethane chfcli  
1408 CHCl2I dichloroiodomethane chcl2i  
1409 CHClBr2 Methane, dibromochloro- chclbr2  
1410 CHBr3 bromoform chbr3  
1411 CHI3 Iodoform chi3  
1412 NF3H+ protonated nitrogen trifluoride nf3h+  
1413 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1414 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1415 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1416 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1417 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1418 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1419 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1420 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1421 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1422 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1423 C2H2Br2 1,1-dibromoethene c2h2br2  
1424 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1425 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1426 CH2FCHO Fluoroacetaldehyde ch2fcho  
1427 CH3COF Acetyl fluoride ch3cof  
1428 CH2ClCHO chloroacetaldehyde ch2clcho  
1429 CH3COCl Acetyl Chloride ch3cocl  
1430 C2H4F2 1,2-difluoroethane c2h4f2  
1431 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1432 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1433 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1434 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1435 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1436 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1437 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1438 CH2CFCH3 2-fluoropropene 2fpro  
1439 CH2CHCH2F Allyl Fluoride allylf  
1440 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1441 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1442 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1443 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1444 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1445 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1446 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1447 CH2FCH2CH3 1-Fluoropropane prf1  
1448 CH3CHFCH3 2-Fluoropropane prf2  
1449 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1450 CH3CHClCH3 Propane, 2-chloro- prcl2  
1451 CH3CH2CH2Br n-propyl bromide prbr  
1452 CH3CHBrCH3 i-propyl bromide iprbr  
1453 C3H9O+ trimethyl oxonium cation c3h9o+  
1454 B5H9 pentaborane9 b5h9  
1455 C5H4 pentatetraene ptrene  
1456 C5H5 cyclopentadienyl radical c5h5  
1457 C5H5- cylopentadienyl anion c5h5-  
1458 C5H6 1,3-Cyclopentadiene c542927  
1459 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1460 C5H6 3-Penten-1-yne, (E)- c2004695  
1461 C5H6 3-Penten-1-yne, (Z)- c1574409  
1462 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1463 C5H6 Cyclopropylacetylene c6746947  
1464 C5H6 Propellane propellane  
1465 C5H7 1,3-pentadienyl radical pdyl  
1466 C5H7 cyclopentenyl radical cpyl  
1467 C5H8 1,2-Butadiene, 3-methyl- c598254  
1468 C5H8 1,2-Pentadiene c591957  
1469 C5H8 1,3-Butadiene, 2-methyl- c78795  
1470 C5H8 1,3-Pentadiene, (E)- c2004708  
1471 C5H8 1,3-Pentadiene, (Z)- c1574410  
1472 C5H8 1,4-Pentadiene c591935  
1473 C5H8 1-pentyne a1pentyne  
1474 C5H8 2,3-Pentadiene c591968  
1475 C5H8 Bicyclo[1.1.1]pentane bcp  
1476 C5H8 Cyclobutane, methylene- c1120565  
1477 C5H8 Cyclopentene c142290  
1478 C5H8 Ethenylcyclopropane c693867  
1479 CH3CCCH2CH3 2-Pentyne 2pentyne  
1480 C5H10 1-Butene, 2-methyl- c563462  
1481 C5H10 2-Butene, 2-methyl- c513359  
1482 C5H10 2-Pentene, (E)- c646048  
1483 C5H10 2-Pentene, (Z)- c627203  
1484 C5H10 Cyclopentane c287923  
1485 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1486 CH2CHCH2CH2CH3 1-pentene pentene  
1487 C5H11 2-Methylbut-2-yl radical c4348350  
1488 C5H12 Butane, 2-methyl- buta2  
1489 C5H12 Pentane pentane  
1490 C5H12 Propane, 2,2-dimethyl- neopentane  
1491 Si(CH3)4 tetramethylsilane tms  
1492 N2O3 Dinitrogen trioxide n2o3  
1493 C3H2N2 Malononitrile c3h2n2  
1494 CH2N4 1H-Tetrazole 1htz  
1495 C3H3N2 imidazolyl radical im  
1496 C3H3N2- imidizolyl anion im-  
1497 C2H3N3 1H-1,2,4-Triazole c288880  
1498 C4H4N pyrrolide radical c4h4n  
1499 C4H4N- pyrrolide anion c4h4n-  
1500 C3H4N2 1H-Imidazole 1himidaz  
1501 C3H4N2 1H-Pyrazole 1hpyraz  
1502 C3H4N2 2H-Imidazole imid2h  
1503 C3H4N2 4H-Imidazole imid4h  
1504 C4H5N (E)-2-Butenenitrile c627269  
1505 C4H5N (Z)-2-Butenenitrile c1190767  
1506 C4H5N 2H-pyrrole pyrrole2  
1507 C4H5N 3H-pyrrole pyrrole3  
1508 C4H5N Cyclopropanecarbonitrile c5500210  
1509 C4H5N Pyrrole pyrrole  
1510 CH2CHCH2CN Allylcyanide ch2chch2cn  
1511 C4H6N+ pyrrole, alpha-protonated appyr  
1512 C4H6N+ pyrrole, beta-protonated bppyr  
1513 C4H6N+ pyrrole, protonated ppyr  
1514 C3H6N2 3-Aminopropionitrile c151188  
1515 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1516 CH3CH2CH2CN Butanenitrile c109740  
1517 C5H8 Bicyclo[2.1.0]pentane c185944  
1518 C5H8 Spiropentane c157404  
1519 C4H9N Cyclobutylamine cbam  
1520 C4H9N Pyrrolidine pyrrolidine  
1521 C3H10N2 1,2-Diaminopropane diampr12  
1522 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1523 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1524 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1525 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1526 NH(C2H5)2 diethylamine dea  
1527 NC4H12+ tetramethyl ammonium cation nc4h12+  
1528 C3O2 Carbon suboxide c3o2  
1529 C3O2+ Carbon suboxide cation c3o2+  
1530 B2O3 diboron trioxide b2o3  
1531 MgCO3 Magnesium Carbonate mgco3  
1532 BeCO3 Beryllium Carbonate beco3  
1533 CaCO3 Calcium Carbonate caco3  
1534 ONONO Nitrosyl nitrite onono  
1535 PO4--- phosphate po4---  
1536 SO4-- sulfate so4--  
1537 HOONO2 peroxy nitric acid hoono2  
1538 HSO4- bisulfate anion hso4-  
1539 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1540 C3H2O2 Propiolic acid c3h2o2  
1541 CHOCOOH oxo acetic acid oaa  
1542 CHOOCHO diformyl ether choocho  
1543 H2SO4 Sulfuric acid h2so4  
1544 H2SeO4 Selenic acid h2seo4  
1545 C3H3NO Isoxazole isox  
1546 C3H3NO Oxazole oxazole  
1547 C3H3NS Thiazole thiazole  
1548 CH3C(O)OO acetyl peroxy radical ch3coo2  
1549 CH3NO3 Methyl nitrate ch3no3  
1550 H3PO4 Phosphoric Acid h3po4  
1551 C4H4O Furan furan  
1552 C4H4O+ Furan cation furan+  
1553 CH3COCCH 3-butyn-2-one c1423605  
1554 C4H4S Thiophene furans  
1555 C4H4Se selenophene c4h4se  
1556 C3H4O2 β–Propiolactone beta  
1557 C3H4O2 2-Propenoic acid propenoic2  
1558 C3H4O2 Methyl glyoxal megly  
1559 C3H4O2 propanedial propanedial  
1560 C3H4O2 propenalol propenalol  
1561 HOCHCCHOH allenediol aldiol  
1562 C2H4O3 1,2,3-trioxolane c2h4o3  
1563 C2H4O3 trioxolane124 triox  
1564 HOCH2COOH Hydroxyacetic acid hac  
1565 CH2CHCONH2 Acrylamide c79061  
1566 CH3OCH2CN Methoxyacetonitrile c1738369  
1567 CH5N3S Hydrazinecarbothioamide c79196  
1568 H2NCH2COOH Glycine glycine  
1569 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1570 C4H6O cis-2-butenal butenal2c  
1571 C4H6O Cyclobutanone cbutone  
1572 C4H6O Furan, 2,3-dihydro- furan23h  
1573 C4H6O Furan, 2,5-dihydro- furan25h  
1574 CH2CHOCHCH2 Vinyl ether vinylether  
1575 CHOCHCHCH3 2-Butenal butenal2  
1576 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1577 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1578 CH2CHSCHCH2 Divinyl sulfide divis  
1579 C2H6N2O Urea, methyl- c598505  
1580 C3H6O2 1,3-Dioxolane dioxolane  
1581 CH3CH2COOH Propanoic Acid propanoic  
1582 CH3COOCH3 methyl acetate aame  
1583 HCOOC2H5 Ethyl formate faee  
1584 C2H6O2S Dimethyl sulfone c67710  
1585 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1586 C3H7NO dimethylformamide dmf  
1587 C3H7NO Propanamide propanam  
1588 C2H3OC2H5 Ethene, ethoxy- c109922  
1589 C4H8O Cyclobutanol c2919235  
1590 C4H8O Furan, tetrahydro- thf  
1591 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1592 CH3COCH2CH3 2-Butanone buta2one  
1593 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1594 CHOCH2CH2CH3 Butanal butanal  
1595 C4H8S Thiophene, tetrahydro- tht  
1596 C3H8O2 1,3-Propanediol c504632  
1597 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1598 C3H8O2 Methane, dimethoxy- c109875  
1599 C3H8O2 Propylene glycol c57556  
1600 C3H8S2 1,3-Propanedithiol c109808  
1601 C4H10O 1-Butanol butanol1  
1602 C4H10O 1-Propanol, 2-methyl- c78831  
1603 C4H10O 2-Butanol, (.+/-.)- butanol2  
1604 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1605 C4H10O Ethoxy ethane etoet  
1606 C4H10O Methyl propyl ether meopr  
1607 C4H10O Propane, 2-methoxy- c598538  
1608 C4H10O+ 1-Butanol cation butanol1+  
1609 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1610 C2H5SC2H5 Diethyl sulfide etset  
1611 C4H9SH 1-Butanethiol bush  
1612 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1613 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1614 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1615 FNO3 Fluorine nitrate fno3  
1616 ClONO2 Chlorine nitrate clono2  
1617 BrONO2 Bromine nitrate brono2  
1618 TiCl4 Titanium tetrachloride ticl4  
1619 ClO4- perchlorate anion clo4-  
1620 BF4- tetrafluoroboron anion bf4-  
1621 ClFO3 Perchloryl fluoride clfo3  
1622 SO2F2 Sulfuryl fluoride so2f2  
1623 SO2Cl2 Sulfuryl chloride so2cl2  
1624 F3NO Nitrogen trifluoride oxide f3no  
1625 F3PO Phosphoryl fluoride pf3o  
1626 Cl3PO Phosphoryl chloride pcl3o  
1627 CF4 Carbon tetrafluoride cf4  
1628 CF3Cl Methane, chlorotrifluoro- cf3cl  
1629 SiF4 Silicon tetrafluoride sif4  
1630 CF2Cl2 difluorodichloromethane cf2cl2  
1631 TiF4 Titanium tetrafluoride tif4  
1632 CFCl3 Trichloromonofluoromethane cfcl3  
1633 CF3Br Bromotrifluoromethane cf3br  
1634 GeF4 Germanium tetrafluoride gef4  
1635 CCl4 Carbon tetrachloride ccl4  
1636 CCl4+ Carbon tetrachloride cation ccl4+  
1637 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1638 SiCl4 Silane, tetrachloro- sicl4  
1639 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1640 CF3I trifluoroiodomethane cf3i  
1641 CBrCl3 Methane, bromotrichloro- cbrcl3  
1642 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1643 GeCl4 Germanium Tetrachloride gecl4  
1644 CBr2ClF dibromochlorofluoromethane cbr2clf  
1645 CBr2Cl2 dibromodichloromethane cbr2cl2  
1646 CCl3I trichloroiodomethane ccl3i  
1647 CFBr3 fluorotribromomethane cfbr3  
1648 CFClBrI fluorochlorobromoiodomethane cfclbri  
1649 CBr3Cl tribromochloromethane cbr3cl  
1650 CF2I2 difluorodiiodomethane cf2i2  
1651 CBr4 Carbon tetrabromide cbr4  
1652 CCl2I2 dichlorodiiodomethane ccl2i2  
1653 SiBr4 Silicon tetrabromide sibr4  
1654 CBr3I tribromoiododmethane cbr3i  
1655 GeBr4 Germanium tetrabromide gebr4  
1656 CI4 tetraiodomethane ci4  
1657 SiI4 silicon tetraiodide sii4  
1658 ClOF3 Chlorine trifluoride oxide clof3  
1659 SF4 Sulfur tetrafluoride sf4  
1660 SeF4 Selenium tetrafluoride sef4  
1661 SCl4 Sulfur tetrachloride scl4  
1662 C2HF3 Trifluoroethylene c2hf3  
1663 C2HF3+ Trifluoroethylene cation c2hf3+  
1664 CHClCCl2 Trichloroethylene chclccl2  
1665 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1666 HClO4 perchloric acid hclo4  
1667 HSO3F Fluorosulfonic acid hso3f  
1668 CF3OH trifluoromethanol cf3oh  
1669 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1670 CHClCCHCl 1,3-dichloroallene chclcchcl  
1671 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1672 CHCl2CHO dichloroacetaldehyde chcl2cho  
1673 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1674 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1675 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1676 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1677 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1678 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1679 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1680 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1681 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1682 NH3BCl3 Amminetrichloroboron nh3bcl3  
1683 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1684 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1685 C3H5ClO Oxirane, (chloromethyl)- c106898  
1686 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1687 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1688 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1689 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1690 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1691 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1692 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1693 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1694 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1695 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1696 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1697 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1698 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1699 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1700 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1701 C4H9F 1-fluorobutane butaf1  
1702 CH3CHFCH2CH3 2-fluorobutane butaf2  
1703 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1704 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1705 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1706 XeF4 Xenon tetrafluoride xef4  
1707 C2H2N2O Furazan furazan  
1708 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1709 NH3BF3 Amminetrifluoroboron nh3bf3  
1710 C6H2 hexatriyne c6h2  
1711 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1712 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1713 C6H4 Benzyne benzyne  
1714 C6H5 phenyl phenyl  
1715 C6H5- phenyl anion phenyl-  
1716 C6H6 Prismane prismane  
1717 C6H6 1,2,4,5-Hexatetraene ht1245  
1718 C6H6 2,4-Hexadiyne hexadiyne  
1719 C6H6 3,4-Dimethylenecyclobutene cb34m  
1720 C6H6 Benzene benzene  
1721 C6H6 Benzvalene bv  
1722 C6H6 Dewar Benzene dewar  
1723 C6H6 Hexa-1,5-diene-3-yne hdy153  
1724 C6H6 Trimethylenecycopropane tmcp  
1725 C6H6+ Benzene cation c6h6+  
1726 C6H7+ benzene, protonated c6h7+  
1727 C6H8 (E)-hexa-1,3,5-triene c821078  
1728 C6H8 (E)-hexa-2,3,4-triene c59660650  
1729 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1730 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1731 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1732 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1733 C6H8 3-Methylenecyclopentene c930267  
1734 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1735 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1736 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1737 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1738 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1739 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1740 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1741 C6H10 1,5-Hexadiene c592427  
1742 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1743 C6H10 1-Hexyne hexyne1  
1744 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1745 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1746 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1747 C6H10 2-Hexyne c764352  
1748 C6H10 3-Hexyne hexyne3  
1749 C6H10 cyclohexene cyclohexene  
1750 C6H10 Cyclopentene, 1-methyl- c693890  
1751 C6H10 Cyclopentene, 3-methyl- c1120623  
1752 C6H10 Cyclopentene, 4-methyl- c1759815  
1753 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1754 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1755 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1756 C6H12 (E)-2-Hexene e2hexene  
1757 C6H12 (E)-3-methylpent-2-ene c616126  
1758 C6H12 (E)-hex-3-ene e3hexene  
1759 C6H12 (Z)-3-methylpent-2-ene c922623  
1760 C6H12 (Z)-hex-2-ene z2hexene  
1761 C6H12 (Z)-hex-3-ene z3hexene  
1762 C6H12 2,3-dimethylbut-1-ene c563780  
1763 C6H12 2,3-dimethyl-but-2-ene tmeet  
1764 C6H12 3-methylenepentane c760214  
1765 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1766 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1767 C6H12 Cyclohexane cyclohexane  
1768 C6H12 Cyclopentane, methyl- c96377  
1769 C6H12 Ethylcyclobutane c4806615  
1770 C6H12 hex-1-ene hexene1  
1771 C6H14 Butane, 2,2-dimethyl- buta22  
1772 C6H14 Butane, 2,3-dimethyl- buta23  
1773 C6H14 Hexane hexane  
1774 C6H14 Pentane, 2-methyl- penta2  
1775 C6H14 Pentane, 3-methyl- penta3  
1776 C4N2 2-Butynedinitrile c4n2  
1777 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1778 C4H2N2 Fumaronitrile c4h2n2  
1779 C2H2N4 sym-tetrazine ttz  
1780 C3H3N3 1,3,5-Triazine triazine135  
1781 CH3N5 5-Aminotetrazole c4418615  
1782 C4H4N2 1,3-Diazine diazine13  
1783 C4H4N2 Pyrazine pyrazine  
1784 C4H4N2 Pyridazine pyridazine  
1785 C4H4N2 Succinonitrile c110612  
1786 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1787 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1788 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1789 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1790 C5H5N E-2,4-pentadienenitrile bdcn  
1791 C5H5N Pyridine pyridine  
1792 B3N3H6 borazine borazine  
1793 C6H6 Fulvene fulvene  
1794 C5H6N+ Pyridinium c5h6n  
1795 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1796 C5H7N (E)-2-Pentenenitrile c26294984  
1797 C5H7N (E)-3-Pentenenitrile c16529661  
1798 C5H7N (Z)-2-Pentenenitrile c25899507  
1799 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1800 C5H7N Cyclobutanecarbonitrile c4426113  
1801 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1802 C5H9N Butanenitrile, 2-methyl- c18936179  
1803 C5H9N Pentanenitrile c110598  
1804 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1805 C6H10 Bicyclo[3.1.0]hexane c285585  
1806 C5H11N Cyclopentanamine cypentam  
1807 C5H11N Piperidine piper  
1808 C4H12N2 1,2-Butanediamine c4426486  
1809 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1810 Li2CO3 Lithium Carbonate li2co3  
1811 Na2CO3 Sodium Carbonate na2co3  
1812 C2O4-- oxalate anion c2o4  
1813 MgSO4 Magnesium Sulfate mgso4  
1814 N2O4 Dinitrogen tetroxide n2o4  
1815 C3H2O3 vinylene carbonate vica  
1816 C2H2O4 Oxalic Acid oxalic  
1817 C2H3NO3 Oxamic acid oxamic  
1818 C4H4O2 2(5H)-Furanone furanone  
1819 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1820 C2H4N2O2 Oxalamide oxalamide  
1821 C2H4N2S2 Ethanedithioamide c79403  
1822 C2H4CO3 Ethylene carbonate etco3  
1823 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1824 C3H4S3 1,3-Dithiolane-2-thione c822388  
1825 C2H4O4 Formic acid dimer fadimer  
1826 C4H5NO 3-Methylisoxazole isox3m  
1827 C4H5NO Isoxazole, 5-methyl- c5765446  
1828 C4H5NS 4-Methylthiazole c693958  
1829 C2H5NO3 Nitric acid, ethyl ester c625581  
1830 C5H6O 2H-Pyran pyran2  
1831 C5H6O 2-methylfuran furan2m  
1832 C5H6O 3-Methylfuran furan3m  
1833 C5H6O Pentadienal pdal  
1834 C5H6S Thiophene, 2-methyl- c554143  
1835 C5H6S Thiophene, 3-methyl- c616444  
1836 C4H6O2 γ–Butyrolactone c96480  
1837 C4H6O2 2,3-Butanedione c431038  
1838 C4H6O2 2-Propenoic acid, methyl ester c96333  
1839 C4H6O2 Crotonic Acid crot  
1840 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1841 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1842 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1843 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1844 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1845 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1846 C4H6OS Vinyl sulfoxide c1115157  
1847 CH6N4S Carbonothioic dihydrazide thiacarb  
1848 C2H6N2O2 (E)-Azodioxymethane c37765154  
1849 C2H6N2O2 Dimethylnitroamine c4164287  
1850 C3H6O3 1,3,5-Trioxane trioxane  
1851 C3H6S3 1,3,5-Trithiane c3h6s3  
1852 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1853 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1854 C4H7NO 2-Pyrrolidinone c616455  
1855 C4H7NO Ethoxyacetonitrile etoaccn  
1856 C4H7NO Methacrylamide c79390  
1857 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1858 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1859 C3H7ONO Propyl nitrite prono  
1860 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1861 CH3CH(NH2)COOH Alanine alanine  
1862 CH3NHCH2COOH Sarcosine sarcosine  
1863 NH2CH2CH2COOH β–alanine betaalanine  
1864 NH2COOC2H5 Urethane urethane  
1865 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1866 C5H8O Cyclopentanone c120923  
1867 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1868 C5H8O Methyl cyclopropyl ketone c765435  
1869 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1870 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1871 NH2CONHC2H5 Urea, ethyl- c625525  
1872 C4H8O2 1,3-Dioxane dioxan13  
1873 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1874 C4H8O2 1,4-Dioxane dioxan14  
1875 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1876 C4H8O2 Ethyl acetate c141786  
1877 C4H8OS s-Ethyl thioacetate c625605  
1878 C3H8O3 1,2,3-Propanetriol glycerin  
1879 C3H8O2S (Methylsulfonyl)ethane c594434  
1880 C4H9NO Butanamide c541355  
1881 C4H9NO Propanamide, 2-methyl- c563837  
1882 C5H10O 2-Butanone, 3-methyl- c563804  
1883 C5H10O 2H-Pyran, tetrahydro- c142687  
1884 C5H10O 2-methylbutyraldehyde 2meba  
1885 C5H10O 2-Pentanone mpk  
1886 C5H10O 3-Pentanone dek  
1887 C5H10O Cyclopentanol c96413  
1888 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1889 C5H10O Pentanal pal  
1890 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1891 C5H10S 3-Ethylthio-1-propene c5296628  
1892 C5H10S Cyclopentanethiol c1679078  
1893 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1894 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1895 C4H10O2 1,1-Dimethoxyethane c534156  
1896 C4H10O2 1,3-Butanediol budiol13  
1897 C4H10O2 1,4-Butanediol budiol14  
1898 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1899 C4H10OS Diethyl sulfoxide c70291  
1900 C4H10S2 1,4-Butanedithiol budisl14  
1901 C4H11NO Diethylhydroxylamine c3710847  
1902 C5H12O 1-Butanol, 2-methyl- c137326  
1903 C5H12O 1-Butanol, 3-methyl- c123513  
1904 C5H12O 1-Pentanol pentanol1  
1905 C5H12O 2-Butanol, 3-methyl- c598754  
1906 C5H12O 2-Pentanol peol2  
1907 C5H12O 3-Pentanol pentan3ol  
1908 C5H12O Butane, 1-methoxy- meobu  
1909 C5H12O Propane, 1-ethoxy- proet  
1910 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1911 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1912 C5H12S 1-Butanethiol, 3-methyl- c541311  
1913 C5H12S 1-Pentanethiol c110667  
1914 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1915 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1916 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1917 C5H12S Butane, 1-(methylthio)- c628295  
1918 C5H12S Ethyl propyl sulfide c4110503  
1919 C5H12S Propane, 2-(ethylthio)- c5145993  
1920 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1921 C4F2 difluorobutadiyne c4f2  
1922 ClCOClCO Oxalyl chloride oxcl  
1923 CF3CN Acetonitrile, trifluoro- cf3cn  
1924 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1925 B2F4 Diboron tetrafluoride b2f4  
1926 B2Cl4 Diboron tetrachloride b2cl4  
1927 C2F4 Tetrafluoroethylene c2f4  
1928 C2F4+ Tetrafluoroethylene cation c2f4+  
1929 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1930 CF2CCl2 difluorodichloroethylene cf2ccl2  
1931 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1932 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1933 C2FCl3 fluorotrichloroethene c2fcl3  
1934 C2Cl4 Tetrachloroethylene c2cl4  
1935 C2Br4 tetrabromoethene c2br4  
1936 CF3OF Trifluoromethylhypofluorite cf3of  
1937 SiF5- silicon pentafluoride anion sif5-  
1938 SOF4 Sulfur tetrafluoride oxide sof4  
1939 PF5 Phosphorus pentafluoride pf5  
1940 AsF5 Arsenic pentafluoride asf5  
1941 PCl5 Phosphorus pentachloride pcl5  
1942 SF5 Sulfur pentafluoride sf5  
1943 SF5+ pentafluoro sulfur cation sf5+  
1944 SbCl5 Antimony pentachloride sbcl5  
1945 BrF5 bromine pentafluoride brf5  
1946 ClF5 chlorinepentafluoride clf5  
1947 IF5 pentafluoroiodine if5  
1948 CF3CHO trifluoroacetaldehyde cf3cho  
1949 CCl3CHO trichloroacetaldehyde ccl3cho  
1950 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1951 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1952 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1953 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1954 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1955 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1956 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1957 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1958 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1959 CF3COOH trifluoroacetic acid cf3cooh  
1960 C4H3ClO Furan, 2-chloro fur2cl  
1961 C4H3ClO Furan,3-chloro fur3cl  
1962 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1963 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1964 C4H8Cl2 1,4-Dichlorobutane c110565  
1965 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1966 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1967 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1968 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1969 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1970 C5H11Cl Pentane, 1-chloro- pencl1  
1971 C4H8O2 Butanoic acid bua  
1972 C6H5CH2 benzyl radical benzyl  
1973 C7H7 cycloheptatrienyl radical c7h7  
1974 C7H7+ cycloheptatrienyl cation c7h7+  
1975 C6H5CH3 toluene toluene  
1976 C7H8 cycloheptatriene cht  
1977 C7H8 Norbornadiene norbor  
1978 C7H8 Quadricyclane qucy  
1979 C7H12 Norbornane nor  
1980 C7H14 cycloheptane c7h14  
1981 C7H16 2-methylhexane 2mhex  
1982 C7H16 3-methylhexane hex3m  
1983 C7H16 heptane heptane  
1984 CH(CN)3 tricyanomethane mecn3  
1985 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1986 C6H7N 2-Methylpyridine mp  
1987 C6H5NH2 aniline aniline  
1988 C6H13N 2-Methylpiperidine pip2m  
1989 C6H13N cyclohexanamine cham  
1990 C6H15N triethylamine tea  
1991 N2O5 Dinitrogen pentoxide n2o5  
1992 C4H2O3 Maleic Anhydride malan  
1993 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1994 C5H4O2 furfural furfural  
1995 C6H5O phenoxy radical phenoxy  
1996 C5H5NO 2(1H)-Pyridinone c72762006  
1997 C5H5NO 2(3H)-Pyridinone c9000048  
1998 C5H5NO 2(5H)-Pyridinone c9000037  
1999 C5H5NO 2-Pyridinol c109104  
2000 C5H5NO 3(2H)-Pyridinone c9000004  
2001 C5H5NO 3(4H)-Pyridinone c9000026  
2002 C5H5NO 3(6H)-Pyridinone c9000015  
2003 C5H5NO 3-Pyridinol c109002  
2004 C5H5NO 4(1H)-Pryidinone c9000060  
2005 C5H5NO 4(3H)-Pryidinone c9000059  
2006 C5H5NO 4-Pyridinol c626642  
2007 C6H5OH phenol phenol  
2008 C6H6O 2,4-Cyclohexadienone c24599573  
2009 C6H6O 2,5-Cyclohexadienone c5664335  
2010 C6H5SH Benzenethiol phsh  
2011 HO2CCHNH2CH2OH Serine serine  
2012 C5H8O2 Acetylacetone acac  
2013 C4H8O2S Sulfolane sulfolane  
2014 C7H10 Norbornene norbornene  
2015 CH(C2H3)3 trivinyl methane tvm  
2016 C6H10O cyclohexanone chexo  
2017 C6H12O hexanal c6h12o  
2018 C6H12O Oxepane oxepane  
2019 C3H7OC3H7 di-n-propyl ether propr  
2020 F2CCCF2 tetrafluoroallene pfa  
2021 CF3COO- trifluoro acetate anion cf3coo-  
2022 CF3COF trifluoroacetyl fluoride cf3cof  
2023 CF3COCl trifluoroacetyl chloride cf3cocl  
2024 PF6 Hexafluorophosphate neutral pf6  
2025 PF6- Hexafluorophosphate ion pf6-  
2026 SF6 Sulfur Hexafluoride sf6  
2027 SeF6 Selenium hexafluoride sef6  
2028 SF5Cl sulfur chloropentafluoride sf5cl  
2029 CF3CHF2 pentafluoroethane cf3chf2  
2030 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
2031 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2032 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2033 CCl3CHCl2 pentachloroethane ccl3chcl2  
2034 C6H5F Fluorobenzene bzf  
2035 C6H5Cl chlorobenzene bzcl  
2036 C6H5Br bromobenzene bzbr  
2037 C8H6 Calicene calicene  
2038 C6H5CCH phenylacetylene phac  
2039 C8H6 benzocyclobutadiene bcbd  
2040 C8H6 Pentalene pentalene  
2041 C6H5CHCH2 Styrene styrene  
2042 C8H8 cubane cubane  
2043 C8H8 cyclooctatetraene cot  
2044 C6H5CH2CH3 Ethylbenzene etbz  
2045 CH3C6H4CH3 meta-xylene mxylene  
2046 CH3C6H4CH3 paraxylene pxylene  
2047 C8H14 Bicyclo[2.2.2]octane bico222  
2048 C8H16 cyclooctane cyclooct  
2049 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2050 C8H18 Octane c8h18  
2051 C6H5CN phenyl cyanide phcn  
2052 C6H12N2 Triethylenediamine ted  
2053 C4O4-- squarate dianion c4o4--  
2054 S4N4 Tetrasulfur tetranitride s4n4  
2055 S8 Octasulfur s8  
2056 C6H4O2 parabenzoquinone pbq  
2057 C4H4N2O2 Uracil uracil  
2058 C6H5CHO benzaldehyde benzal  
2059 C6H5OCH3 Anisole anisole  
2060 C5H9NO2 Proline proline  
2061 C6H12O2 Methyl pivalate c598981  
2062 C6H12O2 Hexanoic acid hexa  
2063 C4F4 tetrafluorcyclobutadiene c4f4  
2064 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2065 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2066 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2067 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2068 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2069 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2070 C2F6 hexafluoroethane c2f6  
2071 C2Cl6 hexachloroethane c2cl6  
2072 IF7 Iodine heptafluoride if7  
2073 C6H4F2 metadifluorobenzene mdfb  
2074 C6H4F2 orthodifluorobenzene odfb  
2075 C6H4F2 1,4-difluorobenzene pdfb  
2076 C6H4Cl2 1,2-dichlorobenzene dcb12  
2077 C6H4Cl2 1,3-dichlorobenzene dcb13  
2078 C6H4Cl2 1,4-dichlorobenzene dcb14  
2079 C6H5NO nitrosobenzene bzno  
2080 C9H8 Indene indene  
2081 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2082 C9H12 n-propyl benzene prbz  
2083 C9H20 Nonane nonane  
2084 C(CN)4 tetracyanomethane c5n4  
2085 C5H4N4 purine purine  
2086 C8H7N Indole indole  
2087 C3H3N3O3 cyanuric acid cyanuric  
2088 C6H5NO2 Nitrobenzene c6h5no2  
2089 C6H5COOH benzoic acid benzo  
2090 CH3COC6H5 acetophenone acph  
2091 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2092 C3F6 hexafluoropropene c3f6  
2093 C6H3F3 Benzene trifluoride 123 bzf3a  
2094 C8H18O 1-Octanol octanol  
2095 C10H8 Azulene azu  
2096 C10H8 naphthalene naph  
2097 C10H10 bullvalene bullv  
2098 C10H16 adamantane adamantane  
2099 C6N4 Tetracyanoethylene tcne  
2100 C6N4- tetracyanoethylene anion tcne-  
2101 C10H22 Decane decane  
2102 C4F6 perfluorobutadiene c4f6  
2103 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2104 C3F8 perfluoropropane c3f8  
2105 Fe(CO)5 Iron pentacarbonyl ipc  
2106 Fe(C5H5)2 ferrocene fecp2  
2107 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2108 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2109 C12H8 Acenaphthylene acenaph  
2110 C12H8 biphenylene biph  
2111 C12H10 biphenyl biphenyl  
2112 C12H10 Heptalene heptalene  
2113 C6H12O6 Inositol inositol  
2114 C6F6 hexafluorobenzene c6f6  
2115 S2F10 disulphur decafluoride s2f10  
2116 C13H10 Fluorene fluorene  
2117 C14H10 Anthracene anth  
2118 C14H10 Phenanthrene phenanthrene  
2119 C14H14 Bibenzyl bibenzyl  
2120 C12H10N2 azobenzene azobenzene  
2121 C6H5COC6H5 benzophenone benzophenone  
2122 C16H10 Pyrene pyrene  
2123 C18H12 Tetracene tetracene  
2124 C19H16 Triphenylmethane tpm  
2125 C24H12 Coronene coronene  
2126 C60 Buckminsterfullerene c60