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

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

List of which calculations are completed at CCSD(T) /6-311+G(3df,2pd)

Jump to calculations not yet done
count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 H+ Hydrogen atom cation  Kh
3 H2 Hydrogen diatomic 1ΣgD∞h
4 He Helium atom 1SKh
5 Li Lithium atom 2SKh
6 Na Sodium atom 2SKh
7 Na+ Sodium atom cation 1SKh
8 K Potassium atom 2SKh
9 Cu Copper atom 2SKh
10 LiH Lithium Hydride 1ΣC∞v
11 Be Beryllium atom 1SKh
12 Be+ Beryllium atom cation 2SKh
13 Mg Magnesium atom 1SKh
14 Mg+ Magnesium atom cation 2SKh
15 Ca Calcium atom 1SKh
16 Zn Zinc atom 1SKh
17 B Boron atom 2PKh
18 B Boron atom 4PKh
19 B+ Boron atom cation 1SKh
20 Al Aluminum atom 2PKh
21 Al+ Aluminum atom cation 1SKh
22 C Carbon atom 3P0Kh
23 C Carbon atom 3P1Kh
24 C+ Carbon atom cation 2PKh
25 Si Silicon atom 3PKh
26 Si Silicon atom 1SKh
27 Si+ Silicon atom cation 2PKh
28 Ti Titanium atom 3FKh
29 CH4 Methane 1A1Td
30 N+ Nitrogen atom cation 3PKh
31 P Phosphorus atom 4SKh
32 NH3 Ammonia 1A1C3v
33 O Oxygen atom 3SKh
34 O+ Oxygen atom cation 4SKh
35 S Sulfur atom 3PKh
36 Se Selenium atom 3PKh
37 OH Hydroxyl radical 2ΠC∞v
38 H2O Water 1A1C2v
39 F Fluorine atom 2PKh
40 F- Fluorine atom anion 1SKh
41 F+ Fluorine atom cation 3SKh
42 Cl Chlorine atom 2PKh
43 Cl- Chlorine atom anion 1SKh
44 Cl+ Chlorine atom cation 3PKh
45 HF Hydrogen fluoride 1ΣC∞v
46 HCl Hydrogen chloride 1ΣC∞v
47 Ne Neon atom 1SKh
48 Ne+ Neon atom cation 2PKh
49 Ar Argon atom 1SKh
50 Na2 Sodium diatomic 1ΣgD∞h
51 C2H2 Acetylene 1ΣgD∞h
52 C2H4 Ethylene 1AgD2h
53 C2H6 Ethane 1A1gD3d
54 N2 Nitrogen diatomic 1ΣgD∞h
55 NH3NH3 Ammonia Dimer 1AgC2h
56 CO Carbon monoxide 1ΣC∞v
57 NO Nitric oxide 2ΠC∞v
58 O2 Oxygen diatomic 3ΣgD∞h
59 H2CO Formaldehyde 1A1C2v
60 H2OH2O water dimer 1A'Cs
61 H2ONH3 Water Ammonia Dimer 1A'C1
62 BF Boron monofluoride 1ΣC∞v
63 F2 Fluorine diatomic 1ΣgD∞h
64 Cl2 Chlorine diatomic 1ΣgD∞h
65 C3H6 Cyclopropane 1A1'D3h
66 CH2CHCH3 Propene 1A'Cs
67 CO2 Carbon dioxide 1ΣgD∞h
68 SO2 Sulfur dioxide 1A1C2v
69 HCOOH Formic acid 1A'Cs
70 ONNO NO dimer 1Agtrans C2H
71 BF3 Borane, trifluoro- 1A'D3h
72 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 anion h-  
5 D2 Deuterium diatomic d2  
6 H2- hydrogen diatomic anion h2-  
7 H2+ Hydrogen cation h2+  
8 HD Deuterium hydride hd  
9 H3+ hydrogen trimer cation h3+  
10 He- Helium atom anion he-  
11 He+ Helium atom cation he+  
12 HeH Helium hydride heh  
13 HeH+ Helium hydride cation heh+  
14 He2+ helium diatomic cation he2+  
15 Li- Lithium atom anion li-  
16 Li+ Lithium atom cation li+  
17 Na- Sodium atom anion na-  
18 K- Potassium atom anion k-  
19 K+ Potassium atom cation k+  
20 Cu- Copper atom anion cu-  
21 Cu+ Copper atom cation cu+  
22 LiH- lithium hydride anion lih-  
23 LiH+ lithium hydride cation lih+  
24 NaH sodium hydride nah  
25 NaH- sodium hydride anion nah-  
26 NaH+ sodium hydride cation nah+  
27 KH Potassium hydride kh  
28 KH+ Potassium hydrogen cation kh+  
29 CuH Copper monohydride cuh  
30 Be- Beryllium atom anion be-  
31 Mg- Magnesium atom anion mg-  
32 Ca- Calcium atom anion ca-  
33 Ca+ Calcium atom cation ca+  
34 Zn- Zinc atom anion zn-  
35 Zn+ Zinc atom cation zn+  
36 BeH beryllium monohydride beh  
37 BeH- berylium monohydride anion beh-  
38 BeH+ beryllium monohydride cation beh+  
39 MgH magnesium monohydride mgh  
40 MgH- magnesium monohydride anion mgh-  
41 MgH+ magnesium monohydride cation mgh+  
42 CaH Calcium monohydride cah  
43 CaH+ Calcium monohydride cation cah+  
44 TiH Titanium monohydride tih  
45 ZnH Zinc monohydride znh  
46 ZnH+ Zinc, protonated znh+  
47 BeH2 beryllium dihydride beh2  
48 BeH2+ Beryllium dihydride cation beh2+  
49 MgH2 magnesium dihydride mgh2  
50 CaH2 Calcium Hydride cah2  
51 ZnH2 Zinc hydride znh2  
52 B- Boron atom anion b-  
53 Al- Aluminum atom anion al-  
54 Sc Scandium atom sc  
55 Sc+ Scandium cation sc+  
56 Ga Gallium atom ga  
57 Ga- Gallium atom anion ga-  
58 Ga+ Gallium atom cation ga+  
59 BH Boron monohydride bh  
60 BH- boron monohydride anion bh-  
61 BH+ boron monohydride cation bh+  
62 AlH aluminum monohydride alh  
63 AlH- aluminum monohydride anion alh-  
64 AlH+ aluminum monohydride cation alh+  
65 ScH Scandium monohydride sch  
66 ScH+ Scandium monohydride cation sch+  
67 GaH Gallium monohydride gah  
68 GaH+ Gallium monohydride cation gah+  
69 BH2 boron dihydride bh2  
70 BH2- boron dihydride anion bh2-  
71 BH2+ Boron dihydride cation bh2+  
72 AlH2 aluminum dihydride alh2  
73 AlH2- aluminum dihydride anion alh2-  
74 AlH2+ aluminum dihydride cation alh2+  
75 BH3 boron trihydride bh3  
76 BH3- boron trihydride anion bh3-  
77 BH3+ boron trihydride cation bh3+  
78 AlH3 aluminum trihydride alh3  
79 AlH3- aluminum trihydride anion alh3-  
80 AlH3+ aluminum trihydride cation alh3+  
81 ScH3 Scandium trihydride sch3  
82 GaH3 Gallium trihydride gah3  
83 BH4 borohydride bh4  
84 BH4- borohydride anion bh4-  
85 AlH4- Aluminum tetrahydride anion alh4-  
86 C- Carbon atom anion c-  
87 Si- Silicon atom anion si-  
88 Ti- Titanium atom anion ti-  
89 Ti+ Titanium atom cation ti+  
90 Ge Germanium atom ge  
91 Ge- Germanium anion ge-  
92 Ge+ Germanium cation ge+  
93 Sn Tin atom sn  
94 Sn+ Tin cation sn+  
95 CH Methylidyne ch  
96 CH- methylidyne anion ch-  
97 CH+ Methylidyne cation ch+  
98 SiH Silylidyne sih  
99 SiH- silicon monohydride anion sih-  
100 SiH+ silicon monohydride cation sih+  
101 GeH germylidene geh  
102 GeH+ Germaniun monohyrdide cation geh+  
103 CH2 Methylene ch2  
104 CH2- methylene anion ch2-  
105 CH2+ methylene cation ch2+  
106 SiH2 silicon dihydride sih2  
107 SiH2- silicon dihydride anion sih2-  
108 SiH2+ silicon dihydride cation sih2+  
109 GeH2 germylene geh2  
110 GeH2- germylene anion geh2-  
111 CH3 Methyl radical ch3  
112 CH3- methyl anion ch3-  
113 CH3+ methyl cation ch3+  
114 SiH3 Silyl radical sih3  
115 SiH3- Silyl anion sih3-  
116 SiH3+ Silyl cation sih3+  
117 GeH3 Germyl radical geh3  
118 GeH3+ germyl cation geh3+  
119 CD4 methane-d4 cd4  
120 CH2D2 methane-d2 ch2d2  
121 CH3D methane-d ch3d  
122 CH4- Methane anion ch4-  
123 CH4+ Methane cation ch4+  
124 CHD3 methane-d3 chd3  
125 SiH2D2 silane-d2 sih2d2  
126 SiH4 Silane sih4  
127 SiH4+ Silane cation sih4+  
128 GeH4 Germane geh4  
129 SnH4 Stannane snh4  
130 SiH5+ Silane, protonated sih5+  
131 N Nitrogen atom n  
132 N- Nitrogen atom anion n-  
133 P- Phosphorus atom anion p-  
134 P+ Phosphorus atom cation p+  
135 V Vanadium atom v  
136 V+ Vanadium atom cation v+  
137 As Arsenic atomic as  
138 As- Arsenic anion as-  
139 As+ Arsenic cation as+  
140 Sb Antimony atom sb  
141 NH Imidogen nh  
142 NH- Imidogen anion nh-  
143 NH+ imidogen cation nh+  
144 PH phosphorus monohydride ph  
145 PH- phosphorus monohydride anion ph-  
146 PH+ phosphorus monohydride cation ph+  
147 AsH Arsenic monohydride ash  
148 AsH+ Arsenic monohydride cation ash+  
149 SbH Antimony monohydride sbh  
150 ND2 Amidogen-d2 nd2  
151 NH2 Amino radical nh2  
152 NH2- amino anion nh2-  
153 NH2+ Amino cation nh2+  
154 PH2 Phosphino radical ph2  
155 PH2- Phosphino anion ph2-  
156 PH2+ Phosphino cation ph2+  
157 AsH2 Arsenic dihydride ash2  
158 AsH2+ Arsenic dihydride cation ash2+  
159 ND3 Ammonia-d3 nd3  
160 NH3- Ammonia anion nh3-  
161 NH3+ ammonia cation nh3+  
162 PH3 Phosphine ph3  
163 PH3+ Phosphine cation ph3+  
164 AsH3 Arsine ash3  
165 AsH3+ Arsine cation ash3+  
166 SbH3 Stibine sbh3  
167 AsH4+ Arsonium ash4+  
168 NH4 Ammonium radical nh4  
169 NH4+ ammonium cation nh4+  
170 PH4 Phosphoranyl radical ph4  
171 PH4+ phosphonium cation ph4+  
172 O- Oxygen atom anion o-  
173 S- Sulfur atom anion s-  
174 S+ Sulfur atom cation s+  
175 Cr Chromium atom cr  
176 Se- Selenium atom anion se-  
177 Se+ Selenium atom cation se+  
178 Te Tellurium atom te  
179 Te+ Tellurium atom cation te+  
180 DO Hydroxyl-d od  
181 OH- hydroxide anion oh-  
182 OH+ hydoxyl cation oh+  
183 DS Mercapto-d ds  
184 HS Mercapto radical hs  
185 HS- mercapto anion sh-  
186 HS+ sulfur monohydride cation sh+  
187 CrH Chromium hydride crh  
188 CrH+ Chromium hydride cation crh+  
189 HSe Selenium monohydride hse  
190 HSe- selenium monohydride anion hse-  
191 HSe+ selenium monohydride cation hse+  
192 TeH Telluryl radical teh  
193 D2O Deuterium oxide d2o  
194 H2O- water anion h2o-  
195 H2O+ water cation h2o+  
196 HDO Water-d1 hdo  
197 D2S Hydrogen sulfide-d2 d2s  
198 H2S Hydrogen sulfide h2s  
199 H2S- Hydrogen sulfide anion h2s-  
200 H2S+ Hydrogen sulfide cation h2s+  
201 H2Se Hydrogen selenide h2se  
202 H2Se+ Hydrogen selenide cation h2se+  
203 H2Te Hydrogen Telluride h2te  
204 H3O+ hydronium cation h3o+  
205 H3S+ Sulfonium cation h3s+  
206 H3Se+ Hydrogen Selenide, protonated h3se+  
207 Mn Manganese atom mn  
208 Br Bromine atom br  
209 Br- Bromine atom anion br-  
210 Br+ Bromine atom cation br+  
211 I Iodine atom iodine  
212 I- Iodine atom anion iodine-  
213 I+ Iodine atom cation iodine+  
214 DF Hydrofluoric acid-d df  
215 HF- hydrogen fluoride anion hf-  
216 HF+ hydrogen fluoride cation hf+  
217 DCl Hydrochloric acid-d dcl  
218 HCl- hydrogen chloride anion hcl-  
219 HCl+ hydrogen chloride cation hcl+  
220 HBr hydrogen bromide hbr  
221 HBr- hydrogen bromide anion hbr-  
222 HBr+ hydrogen bromide cation hbr+  
223 HI Hydrogen iodide hi  
224 HI+ Hydrogen iodide cation hi+  
225 H2F+ dihydrogen fluoride cation h2f+  
226 H2Cl+ dihydrogen monochloride cation h2cl+  
227 H2Br+ protonated hydrogen bromide h2br+  
228 H2I+ Iodonium h2i+  
229 Ne- Neon atom anion ne-  
230 Ar- Argon atom anion ar-  
231 Ar+ Argon atom cation ar+  
232 Fe Iron atom fe  
233 Kr Krypton atom kr  
234 Kr+ Krypton cation kr+  
235 Xe Xenon atom xe  
236 HeLi+ Helium Lithium cation heli+  
237 NeH neon hydrogen neh  
238 NeH+ neon hydrogen cation neh+  
239 ArH+ Argon hydride cation arh+  
240 KrH+ Protonated Krypton krh+  
241 XeH+ Xenon, protonated xeh+  
242 H2Ar H2 Ar dimer h2ar  
243 Co Cobalt atom cobalt  
244 Ni Nickel atom ni  
245 Li2 Lithium diatomic li2  
246 Li2- lithium diatomic anion li2-  
247 Li2+ lithium diatomic cation li2+  
248 NaLi lithium sodium lina  
249 NaLi- lithium sodium anion lina-  
250 NaLi+ lithium sodium cation lina+  
251 LiK Lithium Potassium lik  
252 Na2- sodium diatomic anion na2-  
253 Na2+ sodium diatomic cation na2+  
254 NaK Sodium Potassium nak  
255 NaK+ Sodium Potassium diatomic cation nak+  
256 K2 Potassium diatomic k2  
257 Cu2 Copper diatomic cu2  
258 LiBe Lithium Beryllium libe  
259 LiMg Lithium magnesium limg  
260 NaBe Sodium Beryllium nabe  
261 NaMg Sodium Magnesium namg  
262 Be2 Beryllium diatomic be2  
263 Be2- Beryllium diatomic anion be2-  
264 Be2+ Beryllium diatomic cation be2+  
265 BeMg Beryllium Magnesium bemg  
266 Mg2 Magnesium diatomic mg2  
267 Mg2- magnesium diatomic anion mg2-  
268 Mg2+ magnesium diatomic cation mg2+  
269 Ca2 Calcium diatomic ca2  
270 LiB Lithium boride lib  
271 LiAl Lithium Aluminum lial  
272 NaAl Sodium aluminum naal  
273 BeB Beryllium monoboride beb  
274 B2 Boron diatomic b2  
275 B2- Boron diatomic anion b2-  
276 B2+ Boron diatomic cation b2+  
277 BAl Boron Aluminum bal  
278 Al2 Aluminum diatomic al2  
279 Al2- aluminum diatomic anion al2-  
280 Al2+ aluminum diatomic cation al2+  
281 BGa Boron Gallium bga  
282 AlGa Aluminum Gallium alga  
283 Ga2 Gallium diatomic ga2  
284 HBBH Diborane(2) hbbh  
285 LiBH4 Lithium borohydride libh4  
286 B2H4 Diborane(4) D2d b2h4  
287 HBHHBH Diborane(4) C2V hbhhbh  
288 B2H6 Diborane b2h6  
289 B2H6+ Diborane cation b2h6  
290 Al2H6 dialane al2h6  
291 Ga2H6 digallane ga2h6  
292 LiC Lithium Carbide lic  
293 BeC Beryllium Carbide bec  
294 CaC Calcium monocarbide cac  
295 BC boron monocarbide bc  
296 BC- boron monocarbide anion bc-  
297 BC+ boron monocarbide cation bc+  
298 AlC Aluminum carbide alc  
299 BSi Boron silicide bsi  
300 C2 Carbon diatomic c2  
301 C2- carbon diatomic anion c2-  
302 C2+ carbon diatomic cation c2+  
303 SiC silicon monocarbide sic  
304 SiC- silicon monocarbide anion sic-  
305 SiC+ silicon monocarbide cation sic+  
306 Si2 Silicon diatomic si2  
307 Si2- silcon diatomic anion si2-  
308 Si2+ silcon diatomic cation si2+  
309 GeC Germanium monocarbide gec  
310 SiGe Silicon Germanium sige  
311 Ge2 Germanium diatomic ge2  
312 C2H Ethynyl radical c2h  
313 C2H- Ethynyl anion c2h-  
314 C2H+ Ethynyl cation c2h+  
315 ZnCH2 Zinc methylene znch2  
316 C2H2+ acetylene cation c2h2+  
317 CCH2 vinylidene vinylidene  
318 H2CC- vinylidene anion h2cc-  
319 HCCH- acetylene anion c2h2-  
320 Si2H2 disilyne si2h2  
321 CH3Li methyl lithium ch3li  
322 CuCH3 monomethyl copper cuch3  
323 ZnCH3 Zinc monomethyl znch3  
324 CH2BH methyleneborane ch2bh  
325 C2H3 vinyl c2h3  
326 C2H3- vinyl anion c2h3-  
327 C2H3+ vinyl cation c2h3+  
328 C2H4- Ethylene anion c2h4-  
329 C2H4+ Ethylene cation c2h4+  
330 CH3CH methylmethylene ch3ch  
331 CH2SiH2 silaethylene ch2sih2  
332 Si2H4 Disilene si2h4  
333 CH3BH2 methylborane ch3bh2  
334 C2H5 Ethyl radical c2h5  
335 C2H5- Ethyl anion c2h5-  
336 C2H5+ Ethyl cation c2h5+  
337 C2H6+ ethane cation c2h6+  
338 CH3SiH3 methyl silane ch3sih3  
339 Si2H6 disilane si2h6  
340 GeH3CH3 methyl germane geh3ch3  
341 C2H7+ Ethane, protonated c2h7+  
342 LiN Lithium Nitride lin  
343 LiN+ Lithium Nitride cation lin+  
344 LiP Lithium monophosphide lip  
345 BeN Beryllium mononitride ben  
346 BeN- Beryllium mononitride anion ben-  
347 BeN+ Beryllium mononitride cation ben+  
348 MgN Magnesium Nitride mgn  
349 BN- boron nitride anion bn-  
350 AlN- aluminum mononitride anion aln-  
351 AlN+ aluminum mononitride cation aln+  
352 BP Boron monophosphide bp  
353 AlP Aluminum monophosphide alp  
354 GaN Gallium mononitride gan  
355 GaP Gallium monophosphide gap  
356 GaAs Gallium arsenide gaas  
357 BN boron nitride bn  
358 BN+ boron nitride cation bn+  
359 AlN Aluminum nitride aln  
360 CN Cyano radical cn  
361 CN- cyanide anion cn-  
362 CN+ Cyano cation cn+  
363 CP Carbon monophosphide cp  
364 CP- carbon monophosphide anion cp-  
365 CP+ carbon monophosphide cation cp+  
366 SiN Silicon nitride sin  
367 SiN- silicon mononitride anion sin-  
368 SiN+ silicon mononitride cation sin+  
369 SiP Silicon monophosphide sip  
370 SiP- Silicon monophosphide anion sip-  
371 SiP+ Silicon monophosphide cation sip+  
372 TiN Titanium mononitride tin  
373 N2- nitrogen diatomic anion n2-  
374 N2+ diatomic nitrogen cation n2+  
375 PN Phosphorus mononitride pn  
376 PN- phosphorus nitride anion pn-  
377 PN+ phosphorus nitride cation pn+  
378 P2 Phosphorus diatomic p2  
379 P2- phosphorus diatomic anion p2-  
380 P2+ phosphorus diatomic cation p2+  
381 AsN Arsenic mononitride asn  
382 AsP Arsenic monophosphide asp  
383 SbN Antimony nitride sbn  
384 As2 Arsenic diatomic as2  
385 HNB hydrogen nitrogen boron hnb  
386 HNC hydrogen isocyanide hnc  
387 HCN Hydrogen cyanide hcn  
388 HCN- Hydrogen cyanide anion hcn-  
389 HCN+ hydrogen cyanide cation hcn+  
390 HNC+ hydrogen isocyanide cation hnc+  
391 HCP Phosphaethyne hcp  
392 HCP+ Phosphaethyne cation hcp+  
393 NNH Dinitrogen monohydride nnh  
394 NNH+ Dinitrogen monohydride cation nnh+  
395 HPO Hydrogen phosphorus oxide hpo  
396 HPO+ Hydrogen phosphorus oxide cation hpo+  
397 LiNH2 lithium amide linh2  
398 HBNH Boranimine hbnh  
399 CNH2 Aminomethylidyne radical cnh2  
400 CNH2+ N-protonated hydrogen isocyanide cnh2+  
401 H2CN Dihydrogen cyanide radical h2cn  
402 H2CN+ hydrocyanonium cation h2cn+  
403 HCNH methyleneazane hcnh  
404 HCNH+ N-protonated HCN hcnh+  
405 H2NN Isodiazene h2nn  
406 N2H2 (E)-diazene n2h2  
407 N2H2 (Z)-Diazene n2h2z  
408 N2H2+ trans-diazene cation n2h2+  
409 CH2NH Methanimine ch3n  
410 CH2NH+ Methanimine cation ch2nh+  
411 CHNH2 aminomethylene chnh2  
412 CHNH2+ Aminocarbene cation chnh2+  
413 CH2PH Phosphaethene ch3p  
414 BH2NH2 Boranamine bh2nh2  
415 CH2NH2+ methyleneamine cation ch2nh2+  
416 N2H4 Hydrazine n2h4  
417 N2H4+ hydrazine cation n2h4+  
418 P2H4 Diphosphine p2h4  
419 CH3NH2 methyl amine ch3nh2  
420 CH3NH2+ methyl amine cation ch3nh2+  
421 CH3PH2 Methyl phosphine ch3ph2  
422 SiH3NH2 Silane, amino sih3nh2  
423 N2H5+ protonated hydrazine n2h5+  
424 BH3PH3 borane phosphine bh3ph3  
425 BH3NH3 borane ammonia bh3nh3  
426 CH3NH3 methyl ammonium radical ch3nh3  
427 CH3NH3+ protonated methylamine ch3nh3+  
428 CH3PH3+ methyl phosphine, protonated ch3ph3+  
429 N2H7+ ammonia ammonium dimer n2h7+  
430 LiO lithium oxide lio  
431 LiO- lithium oxide anion lio-  
432 LiO+ lithium oxide cation lio+  
433 LiS Lithium monosulfide lis  
434 LiS+ Lithium sulfide cation lis+  
435 NaO sodium monoxide nao  
436 NaO- sodium oxide anion nao-  
437 NaO+ sodium oxide cation nao+  
438 KO Potassium monoxide ko  
439 KO+ Potassium monoxide cation ko+  
440 NaS Sodium sulfide nas  
441 CuO Copper Monoxide cuo  
442 LiSe Lithium monoselenide lise  
443 BeO beryllium oxide beo  
444 BeO- Beryllium monoxide anion beo-  
445 BeO+ Beryllium monoxide cation beo+  
446 BeS beryllium sulfide bes  
447 MgO magnesium oxide mgo  
448 MgO- magnesium oxide anion mgo-  
449 MgO+ magnesium oxide cation mgo+  
450 CaO Calcium monoxide cao  
451 MgS magnesium sulfide mgs  
452 MgS- magnesium sulfide anion mgs-  
453 MgS+ magnesium sulfide cation mgs+  
454 CaS Calcium sulfide cas  
455 ZnO zinc monoxide zno  
456 ZnS Zinc sulfide zns  
457 BeS- Beryllium monosulfide anion bes-  
458 BeS+ Beryllium monosulfide cation bes+  
459 BO boron monoxide bo  
460 BO- boron monoxide anion bo-  
461 AlO Aluminum monoxide alo  
462 AlO- Aluminum monoxide anion alo-  
463 AlO+ aluminum monoxide cation alo+  
464 BS boron sulfide bs  
465 BS- boron monosulfide anion bs-  
466 BS+ boron monosulfide cation bs+  
467 AlS Aluminum sulfide als  
468 AlS- aluminum monosulfide anion als-  
469 AlS+ aluminum monosulfide cation als+  
470 ScO Scandium monoxide sco  
471 GaO Gallium monoxide gao  
472 GaS Gallium monosulfide gas  
473 BO+ boron monoxide cation bo+  
474 CO- carbon monoxide anion co-  
475 CO+ carbon monoxide cation co+  
476 CS carbon monosulfide cs  
477 CS- carbon monosulfide anion cs-  
478 CS+ carbon monosulfide cation cs+  
479 SiO Silicon monoxide sio  
480 SiO- silicon monoxide anion sio-  
481 SiO+ silicon monoxide cation sio+  
482 SiS silicon monosulfide sis  
483 SiS- silicon monosulfide anion sis-  
484 SiS+ silicon monosulfide cation sis+  
485 TiO Titanium monoxide tio  
486 CSe Carbon monoselenide cse  
487 CSe- Carbon monoselenide anion cse-  
488 CSe+ Carbon monoselenide cation cse+  
489 GeO Germanium monoxide geo  
490 GeO+ Germanium monoxide cation geo+  
491 GeS Germanium monosulfide ges  
492 SiSe Silicon Monoselenide sise  
493 SiSe+ Silicon Monoselenide cation sise+  
494 GeSe Germanium monoselenide gese  
495 NO- nitric oxide anion no-  
496 NO+ nitric oxide cation no+  
497 NS Mononitrogen monosulfide ns  
498 NS- nitrogen sulfide anion ns-  
499 NS+ nitrogen sulfide cation ns+  
500 PO Phosphorus monoxide po  
501 PO- phosphorus monoxide anion po-  
502 PO+ phosphorus monoxide cation po+  
503 PS phosphorus sulfide ps  
504 PS- phosphorus monosulfide anion ps-  
505 PS+ phosphorus monosulfide cation ps+  
506 VO Vanadium monoxide vo  
507 AsO Arsenic monoxide aso  
508 NSe Nitrogen monoselenide nse  
509 AsS Arsenic monosulfide ass  
510 PSe Phosphorus monoselenide pse  
511 AsSe Arsenic monoselenide asse  
512 O2- oxygen diatomic anion o2-  
513 O2-- dioxygen dianion o2--  
514 O2+ diatomic oxygen cation o2+  
515 SO Sulfur monoxide so  
516 SO- sulfur monoxide anion so-  
517 SO+ sulfur monoxide cation so+  
518 S2 Sulfur diatomic s2  
519 S2- sulfur diatomic anion s2-  
520 S2+ sulfur diatomic cation s2+  
521 SeO Selenium monoxide seo  
522 SeO- selenium monoxide anion seo-  
523 SeO+ selenium monoxide cation seo+  
524 SeS Selenium monosulfide ses  
525 SeS- selenium monosulfide anion ses-  
526 SeS+ selenium monosulfide cation ses+  
527 TeO Tellurium monoxide teo  
528 Se2 Selenium diatomic se2  
529 Se2- selenium diatomic anion se2-  
530 Se2+ selenium diatomic cation se2+  
531 Te2 Tellurium diatomic te2  
532 LiOH lithium hydroxide lioh  
533 NaOH sodium hydroxide naoh  
534 KOH Potassium hydroxide koh  
535 BeOH beryllium monohydroxide beoh  
536 MgOH magnesium hydroxide mgoh  
537 CaOH Calcium monohydroxide caoh  
538 HBO Boron hydride oxide hbo  
539 HBS hydrogen boron sulfide hbs  
540 COH Hydroxymethylidyne coh  
541 COH+ Carbon Monoxide, protonated coh+  
542 HCO Formyl radical hco  
543 HCO- formyl anion hco-  
544 HCO+ Formyl cation hco+  
545 HCS Thioformyl radical hcs  
546 HCS- Thioformyl anion hcs-  
547 HCS+ Thioformyl cation hcs+  
548 HNO Nitrosyl hydride hno  
549 HNO- Nitrosyl hydride anion hno-  
550 HNO+ Nitrosyl hydride cation hno+  
551 NOH Hydroxyimidogen noh  
552 NOH+ O-protonated nitric oxide noh+  
553 HNS Sulfur imide hns  
554 HNS- Sulfur imide anion hns-  
555 HO2 Hydroperoxy radical ho2  
556 HO2- Hydroperoxy anion ho2-  
557 HO2+ Hydroperoxy cation ho2+  
558 HSO+ Sulfur Monoxide, S-protonated HSO+  
559 SOH Sulfur Hydroxide soh  
560 SOH+ Sulfur Monoxide, protonated soh+  
561 HS2 Thiosulfeno radical hs2  
562 H2CO- formaldehyde anion h2co-  
563 H2CO+ formaldehyde cation h2co+  
564 HOCH hydroxycarbene hoch  
565 H2CS Thioformaldehyde h2cs  
566 H2CS- thioformaldehyde anion h2cs-  
567 H2CS+ thioformaldehyde cation h2cs+  
568 H2CSe Selenoformaldehyde h2cse  
569 H2NO nitroxide h2no  
570 H2O2 Hydrogen peroxide h2o2  
571 H2O2+ Hydrogen peroxide cation h2o2+  
572 H2OO water oxide h2oo  
573 HOSH hydrogen thioperoxide hosh  
574 H2S2 Disulfane h2s2  
575 H2S2+ hydrogen disulfide cation h2s2+  
576 H2Se2 hydrogen diselenide h2se2  
577 CH2OH Hydroxymethyl radical ch2oh  
578 CH2OH+ hydroxymethyl cation ch2oh+  
579 CH3O Methoxy radical ch3o  
580 CH3O- methoxy anion ch3o-  
581 CH3O+ Methoxy cation ch3o+  
582 CH3S thiomethoxy ch3s  
583 H2CSH+ Thioformaldehyde, protonated h2csh+  
584 NH2OH hydroxylamine nh2oh  
585 NH2OH+ Hydroxylamine cation nh2oh+  
586 NH3O Ammonia Oxide nh3o  
587 H2POH Phosphinous acid h2poh  
588 H3PO Phosphine oxide h3po  
589 NH2SH Thiohydroxylamine nh2sh  
590 NH3S sulfidoazane nh3s  
591 H3O2+ hydrogen peroxide, protonated h3o2+  
592 CH3OH Methyl alcohol ch3oh  
593 CH3OH- Methyl alcohol anion ch3oh-  
594 CH3OH+ Methyl alcohol cation ch3oh+  
595 CH3SH Methanethiol ch3sh  
596 CH3SH+ Methanethiol cation ch3sh+  
597 SiH3OH silanol sih3oh  
598 CH3SeH Methane selenol ch3seh  
599 NH2OH2+ protonated hydroxylamine nh2oh2+  
600 NH3OH+ N-protonated hydroxylamine nh3oh+  
601 CH3OH2+ Methanol, protonated ch3oh2+  
602 CH3SH2+ protonated methylsulfide ch3sh2+  
603 H5O2+ Dihydroxonium ion h5o2+  
604 LiF lithium fluoride lif  
605 LiCl lithium chloride licl  
606 LiCl- lithium chloride anion licl-  
607 LiCl+ lithium chloride cation licl+  
608 NaF sodium fluoride naf  
609 NaF- sodium fluoride anion naf-  
610 NaF+ sodium fluoride cation naf+  
611 KF Potassium Fluoride kf  
612 NaCl Sodium Chloride nacl  
613 NaCl- sodium chloride anion nacl-  
614 NaCl+ sodium chloride cation nacl+  
615 KCl Potassium Chloride kcl  
616 CuF Copper monofluoride cuf  
617 LiBr Lithium Bromide libr  
618 LiBr- lithium bromide anion libr-  
619 LiBr+ lithium bromide cation libr+  
620 CuCl Copper monochloride cucl  
621 NaBr Sodium Bromide nabr  
622 NaBr- sodium bromide anion nabr-  
623 NaBr+ sodium bromide cation nabr+  
624 KBr Potassium Bromide kbr  
625 LiI Lithium Iodide lii  
626 NaI Sodium Iodide nai  
627 KI Potassium Iodide ki  
628 LiF- lithium fluoride anion lif-  
629 LiF+ lithium fluoride cation lif+  
630 BeF Beryllium monofluoride bef  
631 BeF- Beryllium monofluoride anion bef-  
632 BeF+ Beryllium monofluoride cation bef+  
633 BeCl beryllium monochloride becl  
634 MgF Magnesium monofluoride mgf  
635 MgF- magnesium fluoride anion mgf-  
636 MgF+ magnesium fluoride cation mgf+  
637 CaF Calcium monofluoride caf  
638 MgCl magnesium monochloride mgcl  
639 MgCl- magnesium monochloride anion mgcl-  
640 MgCl+ magnesium monochloride cation mgcl+  
641 CaCl calcium monochloride cacl  
642 TiCl Titanium Monochloride ticl  
643 ZnF Zinc monofluoride znf  
644 ZnF- Zinc monofluoride anion znf-  
645 ZnF+ Zinc monofluoride cation znf+  
646 ZnCl Zinc monochloride zncl  
647 CaBr Calcium monobromide cabr  
648 BeCl- beryllium monochloride anion becl-  
649 BeCl+ beryllium monochloride cation becl+  
650 BF- Boron monofluoride anion bf-  
651 BF+ Boron monofluoride cation bf+  
652 AlF Aluminum monofluoride alf  
653 AlF- Aluminum monofluoride anion alf-  
654 AlF+ Aluminum monofluoride cation alf+  
655 BCl boron monochloride bcl  
656 BCl- boron monochloride anion bcl-  
657 BCl+ boron monochloride cation bcl+  
658 AlCl Aluminum monochloride alcl  
659 AlCl- aluminum monochloride anion alcl-  
660 AlCl+ aluminum monochloride cation alcl+  
661 ScF Scandium monofluoride scf  
662 BBr Boron monobromide bbr  
663 GaF Gallium monofluoride gaf  
664 GaF+ Gallium monofluoride cation gaf+  
665 AlBr Aluminum monobromide albr  
666 GaCl Gallium monochloride gacl  
667 GaCl+ Gallium monochloride cation gacl+  
668 AlI Aluminum monoiodide ali  
669 GaBr Gallium monobromide gabr  
670 CF Fluoromethylidyne cf  
671 CF- carbon monofluoride anion cf-  
672 CF+ carbon monofluoride cation cf+  
673 CCl carbon monochloride ccl  
674 CCl- carbon monochloride anion ccl-  
675 CCl+ carbon monochloride cation ccl+  
676 SiF silicon monofluoride sif  
677 SiF- silicon monofluoride anion sif-  
678 SiF+ silicon monofluoride cation sif+  
679 SiCl Clorosilylidyne sicl  
680 SiCl- silicon monochloride anion sicl-  
681 SiCl+ silicon monochloride cation sicl+  
682 CBr Carbon monobromide cbr  
683 GeF Germanium monofluoride gef  
684 GeF+ Germanium monofluoride cation gef+  
685 GeCl Germanium monochloride gecl  
686 GeCl+ Germanium monochloride cation gecl+  
687 SiBr Silicon monobromide sibr  
688 SiBr+ Silicon monobromide cation sibr+  
689 NF nitrogen fluoride nf  
690 NF- nitrogen monofluorine anion nf-  
691 NF+ nitrogen monofluoirde cation nf+  
692 NCl nitrogen monochloride ncl  
693 NCl- nitrogen monochloride anion ncl-  
694 NCl+ nitrogen monochloride cation ncl+  
695 PF phosphorus monofluoride pf  
696 PF- phosphorus monofluoride anion pf-  
697 PF+ phosphorus monofluoride cation pf+  
698 PCl phosphorus chloride pcl  
699 PCl- phosphorus monochloride anion pcl-  
700 PCl+ phosphorus monochloride cation pcl+  
701 AsF Arsenic monofluoride asf  
702 NBr nitrogen monobromide nbr  
703 AsCl Arsenic monochloride ascl  
704 PBr Phosphorus monobromide pbr  
705 SbF Antimony monofluoride sbf  
706 SbCl Antimony monochloride sbcl  
707 FO Oxygen monofluoride fo  
708 FO- flourine oxide anion fo-  
709 FO+ fluorine monoxide cation fo+  
710 ClO Monochlorine monoxide clo  
711 ClO- chlorine monoxide anion clo-  
712 ClO+ chlorine monoxide cation clo+  
713 SF Monosulfur monofluoride sf  
714 SF- sulfur monofluoride anion sf-  
715 SF+ sulfur monofluoride cation sf+  
716 SCl sulfur monochloride scl  
717 SCl- sulfur monochloride anion scl-  
718 SCl+ sulfur monochloride cation scl+  
719 BrO Bromine monoxide bro  
720 BrO- Bromine monoxide anion bro-  
721 BrO+ Bromine monoxide cation bro+  
722 SeF Selenium monofluoride sef  
723 SBr Sulfur monobromide radical sbr  
724 SBr+ Sulfur monobromide cation sbr+  
725 SeCl Selenium monochloride secl  
726 IO Iodine monoxide io  
727 SeBr Selenium monobromide sebr  
728 BrCl Bromine monochloride brcl  
729 F2- flourine diatomic anion f2-  
730 F2+ flourine diatomic cation f2+  
731 ClF Chlorine monofluoride clf  
732 ClF- clorine monofluoride anion clf-  
733 ClF+ clorine monofluoride cation clf+  
734 Cl2- chlorine diatomic anion cl2-  
735 Cl2+ chlorine diatomic cation cl2+  
736 BrF Bromine monofluoride brf  
737 BrF- bromine fluoride anion brf-  
738 BrF+ bromine fluoride cation brf+  
739 BrCl- bromine chloride anion brcl-  
740 BrCl+ bromine chloride cation brcl+  
741 IF Iodine monofluoride if  
742 Br2 Bromine diatomic br2  
743 Br2- bromine diatomic anion br2-  
744 Br2+ bromine diatomic cation br2+  
745 ICl Iodine monochloride icl  
746 IBr Iodine monobromide ibr  
747 I2 Iodine diatomic i2  
748 I2+ Iodine diatomic cation i2+  
749 HCF Fluoromethylene hcf  
750 HCCl Chloromethylene hccl  
751 HSiF fluorosilylene hsif  
752 HSiCl Chlorosilylene hsicl  
753 HSiBr monobromosilylene hsibr  
754 CHBr bromomethylene chbr  
755 HOF Hypofluorous acid hfo  
756 DOCl Hypochlorous acid-d docl  
757 HOCl hypochlorous acid hocl  
758 HOCl+ hypochlorous acid cation hocl+  
759 HOBr Hypobromous acid hobr  
760 HOBr+ Hypobromous acid cation hobr+  
761 HOI Hypoiodous acid hoi  
762 F2H+ Fluorine, protonated f2h+  
763 FHF Hydrogen difluoride fhf  
764 FHF- Hydrogen difluoride anion fhf-  
765 ClFH+ Chlorine fluoride, F-protonated clfh+  
766 FClH+ Chlorine fluoride, Cl-protonated fclh+  
767 Cl2H+ Chlorine, protonated cl2h+  
768 CH2Br bromomethyl radical ch2br  
769 CH2F fluoromethyl radical ch2f  
770 CH2F+ fluoromethyl cation ch2f+  
771 CH2Cl+ chloromethyl cation ch2cl+  
772 CH2Cl chloromethyl radical ch2cl  
773 NH2F monofluoroamine nh2f  
774 NH2Cl chloramine nh2cl  
775 H2F2 Hydrogen fluoride dimer h2f2  
776 CH3F+ methyl fluoride cation ch3f+  
777 CD3F methylfluoride-d3 cd3f  
778 CH3F Methyl fluoride ch3f  
779 CD3Cl methyl chloride d3 cd3cl  
780 CH3Cl Methyl chloride ch3cl  
781 CH3Cl+ Methyl chloride cation ch3cl+  
782 SiH3F monofluorosilane sih3f  
783 SiH3Cl chlorosilane sih3cl  
784 CH3Br methyl bromide ch3br  
785 GeH3F monofluorogermane geh3f  
786 GeH3Cl monochlorogermane geh3cl  
787 SiH3Br bromosilane sih3br  
788 CH3I methyl iodide ch3i  
789 SiH3I Silyl Iodide sih3i  
790 NH3Cl+ protonated monochloroammonia nh3cl+  
791 CH3ClH+ methyl chloride, protonated ch3clh+  
792 NH4Cl Ammonium chloride nh4cl  
793 LiNe+ Lithium Neon cation line+  
794 Ne2 Neon diatomic ne2  
795 Ne2+ Neon diatomic cation ne2+  
796 Ar2 Argon diatomic ar2  
797 Ar2+ Argon diatomic cation ar2+  
798 Li3 Lithium trimer li3  
799 Li3+ Lithium trimer cation li3+  
800 C3 carbon trimer c3  
801 C3+ carbon trimer cation c3+  
802 SiC2 Silicon dicarbide sic2  
803 C3H3 cyclopropenyl radical cpr  
804 C3H3 Propargyl radical propargyl  
805 C3H3- Propargyl anion c3h3-  
806 C3H3+ cyclopropenyl cation cpr+  
807 C3H3+ Propargyl cation c3h3+  
808 C3H4 cyclopropene cprop  
809 CH2CCH2 allene allene  
810 CH3CCH propyne propyne  
811 C3H5 Allyl radical allyl  
812 C3H5+ Allyl cation allyl+  
813 CH3CHCH 1-propenyl radical ch3chch  
814 Zn(CH3)2 dimethyl zinc dmz  
815 C3H7 n-Propyl radical npropyl  
816 C3H7+ cyclopropane, protonated c3h7+  
817 CH3CHCH3 Isopropyl radical isopropyl  
818 CH3CHCH3+ Isopropyl cation prop2yl+  
819 C3H8 Propane propane  
820 SiH2(CH3)2 dimethylsilane dms  
821 Si3H8 trisilane si3h8  
822 LiCN lithium cyanide licn  
823 NaCN Sodium Cyanide nacn  
824 KCN Potassium cyanide kcn  
825 CuCN Copper cyanide cucn  
826 ZnCN Zinc monocyanide zncn  
827 ZnNC Zinc isocyanide znnc  
828 AlCN Aluminum monocyanide alcn  
829 AlNC Aluminum isocyanide alnc  
830 CN2 3H-Diazirin-3-ylidene cn2  
831 CNN Diazocarbene cnn  
832 NCN Cyanoimidogen ncn  
833 N3 azide radical n3  
834 N3- azide anion n3-  
835 N3+ azide cation n3+  
836 HCCN cyanomethylene hccn  
837 HCNN diazomethyl radical hcnn  
838 HN3 hydrogen azide hn3  
839 HN3+ Hydrazoic acid cation hn3+  
840 HNCNH diiminomethane hncnh  
841 CH2N2 diazirine ch2n2  
842 CH2NN diazomethane ch2nn  
843 NH2CN cyanamide cyanamide  
844 HNNNH+ 1,2-Triazadienium n2h3+  
845 NH2NN+ hydrazoic acid, protonated nh2nn+  
846 CH3CN Acetonitrile ch3cn  
847 CH3CN- acetonitrile anion ch3cn-  
848 CH3CN+ Acetonitrile cation ch3cn+  
849 CH3NC methyl isocyanide ch3nc  
850 CHNCH2 2H-Azirine c157164  
851 CHNHCH 1H-Azirine chnhch  
852 H2CCNH Ethenimine ch2cnh  
853 H2CNCH methyleneaminomethylene ch2nch  
854 HCCNH2 Ethynamine hccnh2  
855 HCNCH2+ 2H-Azirine cation hcnch2+  
856 HNCNH2+ diiminomethane, protonated hncnh2+  
857 NCNH3+ Cyanamide, protonated ncnh3+  
858 NH2CNH+ cyanamide, cn protonated nh2cnh+  
859 NH3CN+ cyanamide, amine protonated nh3cn+  
860 CH2CHNH vinylazine ch2chnh  
861 CH3CHN methylmethaniminyl radical ch3chn  
862 NHCHNH2 aminomethanimine cn2h4  
863 C2H5N Aziridine c2h5n  
864 CH2CHNH2 aminoethene aminoethene  
865 CH2NCH3 N-methylmethanimine nmm  
866 CH3CHNH ethanimine ethanimine  
867 NH2BHNH2 diaminoborane nh2bhnh2  
868 C2H5NH+ Protonated Aziridine c2h5nh+  
869 C2H6N+ aziridine, protonated c2h6n+  
870 NH2CH2NH2 diaminomethane nh2ch2nh2  
871 CH3CH2NH2 Ethylamine etam  
872 CH3NHCH3 Dimethylamine ch3nhch3  
873 CH3PHCH3 dimethylphosphine ch3phch3  
874 NH2CH2NH3+ diaminoethane, protonated pdam  
875 (CH3)2NH2+ dimethylammonium cation dmam  
876 CH3CH2NH3+ ethylamine, protonated pea  
877 Li2O dilithium oxide li2o  
878 Li2O+ dilithium oxide cation li2o+  
879 Li2S dilithium sulfide li2s  
880 Na2O disodium monoxide na2o  
881 Na2S Sodium sulfide na2s  
882 LiO2 Lithium dioxide lio2  
883 NaO2 Sodium superoxide nao2  
884 CCO Dicarbon monoxide cco  
885 CNO- fulminate cno-  
886 NCO isocyanato radical nco  
887 NCO- cyanate nco-  
888 SCN thiocyanato radical scn  
889 SCN- thiocyanide anion scn-  
890 BO2 Boron dioxide bo2  
891 BO2- Boron dioxide anion bo2-  
892 BO2+ Boron dioxide cation bo2+  
893 N2O Nitrous oxide n2o  
894 N2O- Nitrous oxide anion n2o-  
895 N2O+ Nitrous oxide cation n2o+  
896 NNS Nitrogen sulfide nns  
897 PPO Phosphorus oxide phosphide ppo  
898 CO2- Carbon dioxide anion co2-  
899 CO2+ Carbon dioxide cation co2+  
900 OCS Carbonyl sulfide cos  
901 OCS+ Carbonyl sulfide cation cos+  
902 SiO2 silicon dioxide sio2  
903 CS2 Carbon disulfide cs2  
904 CS2- Carbon disulfide anion cs2-  
905 CS2+ Carbon disulfide cation cs2+  
906 TiO2 Titanium dioxide tio2  
907 SiS2 Silicon disulfide sis2  
908 GeO2 Germanium dioxide geo2  
909 OCSe Carbonyl selenide ocse  
910 SCSe Carbon sulfide selenide scse  
911 GeS2 Germanium disulfide ges2  
912 CSe2 Carbon diselenide cse2  
913 SCTe Carbon sulfide Telluride scte  
914 NO2 Nitrogen dioxide no2  
915 NO2- Nitrogen dioxide anion no2-  
916 NO2+ Nitrogen dioxide cation no2+  
917 NSO sulfinyl amidogen NSO  
918 PO2 Phosphorus dioxide po2  
919 PO2- Phosphorus dioxide anion po2-  
920 PO2+ Phosphorus dioxide cation po2+  
921 SNO Nitrogen oxide sulfide sno  
922 AsO2 Aresenic dioxide aso2  
923 O3 Ozone o3  
924 O3- Ozone anion o3-  
925 O3+ Ozone cation o3+  
926 SO2- Sulfur dioxide anion so2-  
927 SO2+ Sulfur dioxide cation so2+  
928 SSO Disulfur monoxide sso  
929 S3 Sulfur trimer s3  
930 S3- Sulfur trimer anion s3-  
931 S3+ Sulfur trimer cation s3+  
932 SeO2 Selenium dioxide seo2  
933 SeO2+ Selenium dioxide cation seo2+  
934 TeO2 Tellurium Dioxide teo2  
935 HCCO ketenyl radical ketenyl  
936 CS2H+ Carbon disulfide, protonated cs2h+  
937 HCNO fulminic acid hcno  
938 HNCO Isocyanic acid hnco  
939 HOCN cyanic acid hocn  
940 HNCS Isothiocyanic acid hncs  
941 HSCN thiocyanic acid hscn  
942 HCO2- formate anion hco2-  
943 HNNO nitrosoazane hnno  
944 HNNO+ Nitrous oxide, N-protonated hnno+  
945 NNOH+ Nitrous Oxide, O-protonated nnoh+  
946 HCOO formate neutral radical hcoo  
947 HOCO Hydrocarboxyl radical hoco  
948 HOCO+ Hydrocarboxyl cation hoco+  
949 HNO2 Nitrous acid hno2  
950 HNO2+ nitrous acid cation hno2+  
951 O3H+ protonated ozone o3h+  
952 SO2H+ protonated sulfur dioxide so2h+  
953 C2H2O Oxirene oxirene  
954 CH2CO Ketene ch2co  
955 CH2CO+ Ketene cation ch2co+  
956 HCCOH ethynol hccoh  
957 CH2CS Thioketene ch2cs  
958 Be(OH)2 Beryllium hydroxide beo2h2  
959 Mg(OH)2 Magnesium dihydroxide h2mgo2  
960 NH2NO Nitrosamide nh2no  
961 CH2O2 Dioxirane diox  
962 H2COO Dioxymethyl radical h2coo  
963 H2COO+ dioxymethyl cation h2coo+  
964 H2O3 Hydrogen trioxide h2o3  
965 HSSSH trisulfane hsssh  
966 NaOCH3 Sodium methoxide naoch3  
967 CH2BOH hydroxy(methylene)borane ch2boh  
968 BH3CO Borane carbonyl bh3co  
969 CH3BO Borane, methyloxo- ch3bo  
970 CH2CHO Vinyloxy radical ch2cho  
971 CH2COH+ ketene, protonated ch2coh+  
972 CH3CO Acetyl radical ch3co  
973 CH3CO- Acetyl anion ch3co-  
974 CH3CO+ acetyl cation ch3co+  
975 CH2NOH formaldoxime ch2noh  
976 CH3NO nitrosomethane ch3no  
977 CHONH2 formamide formamide  
978 CNOH3 1,2-oxaziridine cnoh3  
979 HOCHNH hydroxymethylimine hochnh  
980 CHSNH2 thioformamide chsnh2  
981 NHCHSH Methanimidothioic acid nhchsh  
982 CH2OOH CH2OOH radical ch2ooh  
983 CH3OO methylperoxy radical ch3oo  
984 CH3OO- methylperoxy anion ch3oo-  
985 CH3OO+ methylperoxy cation ch3oo+  
986 C2H4O Ethylene oxide c2h4o  
987 C2H4O+ ethylene oxide cation c2h4o+  
988 CH2CHOH ethenol ch2choh  
989 CH3CHO Acetaldehyde ch3cho  
990 CH3CHO+ acetaldehyde cation ch3cho+  
991 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
992 C2H4S Thiirane thiirane  
993 CH2CHSH Ethenethiol ch2chsh  
994 CH3CHS Thioacetaldehyde ch3chs  
995 H2CONH2+ protonated formamide h2conh2+  
996 NH2CHOH+ Formamide, O-protonated nh2choh+  
997 NH3CHO+ Formamide, N-Protonated nh3cho+  
998 CH2(OH)2 methanediol ch2o2h2  
999 CH3OOH Methyl peroxide ch3ooh  
1000 CH3SSH Hydrogen methyl disulfide ch3ssh  
1001 HSCH2SH Methanedithiol ch4s2  
1002 H2OH2CO water formaldehyde dimer h2oh2co  
1003 C2H4OH+ ethylene oxide, protonated c2h4oh+  
1004 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1005 CH3CH2O Ethoxy radical ethoxy  
1006 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1007 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1008 CH3OCH2 methoxymethyl radical ch3och2  
1009 NH2CH2OH aminomethanol nh2ch2oh  
1010 CH3CH2OH Ethanol etoh  
1011 CH3OCH3 Dimethyl ether meome  
1012 CH3CH2SH ethanethiol etsh  
1013 CH3SCH3 Dimethyl sulfide mesme  
1014 CH3SCH3+ dimethyl sulfide cation mesme+  
1015 CH3SeCH3 dimethylselenide dmse  
1016 CH3OHH2O methanol water dimer ch3ohh2o  
1017 H2OCH3OH water methanol dimer h2och3oh  
1018 CuF2 Copper difluoride cuf2  
1019 ZnF2 Zinc difluoride znf2  
1020 CNF iso cyanogen fluoride cnf  
1021 FCN Cyanogen fluoride fcn  
1022 ClCN chlorocyanogen clcn  
1023 BrCN Cyanogen bromide brcn  
1024 ICN Cyanogen iodide icn  
1025 FBO Boron monofluoride monoxide fbo  
1026 BeF2 Beryllium fluoride bef2  
1027 MgF2 Magnesium fluoride mgf2  
1028 BeCl2 Beryllium chloride becl2  
1029 MgCl2 Magnesium dichloride mgcl2  
1030 CaCl2 Calcium Chloride cacl2  
1031 ZnCl2 Zinc dichloride zncl2  
1032 BeBr2 Beryllium bromide bebr2  
1033 CaBr2 Calcium dibromide cabr2  
1034 CaF2 Calcium difluoride caf2  
1035 FCO Carbonyl fluoride fco  
1036 FCO+ Carbonyl fluoride cation fco+  
1037 ClCO carbonyl monochloride clco  
1038 BF2 Boron difluoride radical bf2  
1039 FNO Nitrosyl fluoride fno  
1040 ClNO Nitrosyl chloride clno  
1041 FNS Thionitrosyl fluoride fns  
1042 FSN Thiazyl fluoride fsn  
1043 OPCl Phosphorus oxychloride opcl  
1044 BrNO Nitrosyl bromide brno  
1045 INO Nitrosyl iodide ino  
1046 CF2 Difluoromethylene cf2  
1047 CF2- Difluoromethylene anion cf2-  
1048 CF2+ Difluoromethylene cation cf2+  
1049 CFCl chlorofluoromethylene cfcl  
1050 SiF2 Silicon difluoride sif2  
1051 SiF2+ Silicon difluoride cation sif2+  
1052 CCl2 dichloromethylene ccl2  
1053 CCl2- dichloromethylene anion ccl2-  
1054 CCl2+ dichloromethylene cation ccl2+  
1055 SiCl2 Dichlorosilylene sicl2  
1056 GeF2 Germanium difluoride gef2  
1057 GeCl2 Germanium dichloride gecl2  
1058 CBr2 dibromomethylene cbr2  
1059 FOO Dioxygen monofluoride radical foo  
1060 FOO+ Fluorine dioxide cation foo+  
1061 ClOO chloroperoxy radical cloo  
1062 ClOO+ chloroperoxy cation cloo+  
1063 OClO Chlorine dioxide oclo  
1064 OClO- Chlorine dioxide anion oclo-  
1065 OClO+ Chlorine dioxide cation oclo+  
1066 ClSO Sulfur chloride oxide clso  
1067 ClS2 Sulfur chloride cls2  
1068 BrOO Bromine dioxide broo  
1069 OBrO Bromine dioxide radical obro  
1070 NF2 Difluoroamino radical nf2  
1071 NF2+ Difluoroamino cation nf2+  
1072 PF2 Phosphorus difluoride pf2  
1073 PF2+ Phosphorus difluoride cation pf2+  
1074 FClO chlorosyl fluoride fclo  
1075 F2O Difluorine monoxide f2o  
1076 ClOF Chlorine hypofluorite clof  
1077 SF2 sulfur difluoride sf2  
1078 SF2- sulfur difluoride anion sf2-  
1079 SF2+ sulfur difluoride cation sf2+  
1080 Cl2O Dichlorine monoxide cl2o  
1081 SCl2 Sulfur dichloride scl2  
1082 SeF2 Selenium difluoride sef2  
1083 BrOCl Bromine hypochlorite brocl  
1084 SeCl2 Selenium Dichloride secl2  
1085 SBr2 Sulfur dibromide sbr2  
1086 SeBr2 Selenium dibromide sebr2  
1087 BrOBr Bromine oxide brobr  
1088 F3- trifluoride anion f3-  
1089 Cl3- trichloride anion cl3-  
1090 Br3- tribromide anion br3-  
1091 I3- triiodide i3-  
1092 SFCl Sulfur chloride fluoride sfcl  
1093 HCCF Fluoroacetylene hccf  
1094 HCCF+ fluoroacetylene cation hccf+  
1095 HCCCl Chloroacetylene hcccl  
1096 HCCBr bromoacetylene hccbr  
1097 HFCO formyl fluoride hfco  
1098 HFCO+ formyl fluoride cation hfco+  
1099 COHCl Formyl chloride cohcl  
1100 COHBr Formyl bromide cohbr  
1101 BHF2 Difluoroborane bhf2  
1102 BHCl2 Borane, dichloro- bhcl2  
1103 CHCl2 dichloromethyl radical chcl2  
1104 CHF2 difluoromethyl radical chf2  
1105 CHF2+ difluoromethyl cation chf2+  
1106 CHFCl Chlorofluoromethyl radical chfcl  
1107 CHFCl+ Chlorofluoromethyl cation chfcl+  
1108 CHCl2+ dichloromethyl cation chcl2+  
1109 CHBr2 dibromomethyl radical chbr2  
1110 HOClO Chlorous acid hoclo  
1111 NHF2 difluoramine nhf2  
1112 NHCl2 dichloroamine nhcl2  
1113 CH2F2 Methane, difluoro- ch2f2  
1114 CH2FCl fluorochloromethane ch2fcl  
1115 SiH2F2 difluorosilane sih2f2  
1116 CH2Cl2 Methylene chloride ch2cl2  
1117 CH2BrF Methane, bromofluoro- ch2fbr  
1118 CH2BrCl Methane, bromochloro- ch2clbr  
1119 CH2FI fluoroiodomethane ch2fi  
1120 CH2Br2 dibromomethane ch2br2  
1121 CH2ClI chloroiodomethane ch2cli  
1122 CH2BrI bromoiodomethane ch2bri  
1123 CH2I2 Diiodomethane ch2i2  
1124 SiH2Cl2 dichlorosilane sih2cl2  
1125 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1126 CH2CHF Ethene, fluoro- ch2chf  
1127 CH2CHF+ fluoroethene cation ch2chf+  
1128 C2H3Cl Ethene, chloro- ch2chcl  
1129 C2H3Br vinyl bromide c2h3br  
1130 C2H3I Vinyl iodide c2h3i  
1131 CH2FOH fluoromethanol ch2foh  
1132 CH3OCl methyl hypochlorite ch3ocl  
1133 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1134 CHClCH3 1-chloroethyl radical chclch3  
1135 C2H5F fluoroethane c2h5f  
1136 CH3CH2Cl Ethyl chloride c2h5cl  
1137 CH3SiFH2 fluoromethylsilane ch3sifh2  
1138 C2H5Br Ethyl bromide etbr  
1139 C2H5I Ethyl iodide c2h5i  
1140 KrF2 Krypton difluoride krf2  
1141 XeF2 Xenon difluoride xef2  
1142 B4H10 Tetraborane(10) b4h10  
1143 C4 Carbon tetramer c4  
1144 C4+ Carbon tetramer cation c4+  
1145 C4H2 Diacetylene c4h2  
1146 C4H2+ diacetlyene cation c4h2+  
1147 C2H3CCH 1-Buten-3-yne c2h3cch  
1148 C4H4 cyclobutadiene cbd  
1149 C4H4 Tetrahedrane c4h4  
1150 H2CCCCH2 Butatriene h2cccch2  
1151 C4H6 1-Methylcyclopropene c3100047  
1152 C4H6 Cyclobutene c822355  
1153 C4H6 Methylenecyclopropane c6142730  
1154 CH2CCHCH3 1,2-Butadiene butad12  
1155 CH2CHCHCH2 1,3-Butadiene c106990  
1156 CH3CCCH3 2-Butyne c503173  
1157 CHCCH2CH3 1-Butyne c107006  
1158 CH3CHCHCH2 methylallyl radical c4h7  
1159 C4H8 methylcyclopropane mcp  
1160 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1161 CH2CHCH2CH3 1-Butene bute1  
1162 CH3CHCHCH3 2-Butene, (E)- bute2e  
1163 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1164 B(CH3)3 trimethylborane bme3  
1165 Al(CH3)3 trimethyl aluminum tma  
1166 C(CH3)3 Tert-butyl radical tbutyl  
1167 CH2CH(CH3)2 Isobutyl radical isobutyl  
1168 CH3CHCH2CH3 2-Butyl radical butyl2  
1169 CH3CH(CH3)CH3 Isobutane isobutane  
1170 CH3CH2CH2CH3 Butane butane  
1171 SiH(CH3)3 trimethylsilane trimsi  
1172 Li3N trilithium nitride li3n  
1173 C2N2 Cyanogen c2n2  
1174 C2N2+ Cyanogen cation c2n2+  
1175 P4 Phosphorus tetramer p4  
1176 As4 Arsenic tetramer as4  
1177 HCCCN Cyanoacetylene hcccn  
1178 HCCCN+ Cyanoacetylene cation hcccn+  
1179 H2CNCN cyanamide, methylene ch2ncn  
1180 HNCCNH Ethenediimine hnccnh  
1181 C3H3N acrylonitrile ch2chcn  
1182 C3H3N+ acrylonitrile cation ch2chcn+  
1183 CH3N3 methyl azide ch3n3  
1184 NH2CCNH2 Diaminoacetylene daa  
1185 NH2CH2CN Aminoacetonitrile aan  
1186 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1187 C2H5CN ethyl cyanide c2h5cn  
1188 CH5N3 Guanidine guanidine  
1189 C4H6 Bicyclo[1.1.0]butane c157335  
1190 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1191 H2NCHCHNH2 diaminoethylene dae  
1192 CH6N3+ guanidinium ch6n3+  
1193 C3H7N Cyclopropylamine cpram  
1194 CH7N3 triaminomethane tam  
1195 C3H7N Azetidine azet  
1196 C4H8 cyclobutane cbutane  
1197 C2H8N2 Ethylenediamine ethdiam  
1198 CH3NHNHCH3 dimethyl hydrazine dmh  
1199 CH3CH(NH2)CH3 2-Propanamine pram2  
1200 N(CH3)3 Trimethylamine trimeam  
1201 NH2CH2CH2CH3 1-Propanamine pram1  
1202 P(CH3)3 trimethylphosphine tmp  
1203 N(SiH3)3 trisilylamine tsa  
1204 As(CH3)3 trimethyl arsine tmas  
1205 (CH3)3NH+ protonated trimethyl amine ptma  
1206 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1207 Li2O2 dilithium dioxide li2o2  
1208 Na2O2 disodium dioxide na2o2  
1209 K2O2 dipotassium dioxide k2o2  
1210 C3O Tricarbon monoxide c3o  
1211 B2O2 Diboron dioxide b2o2  
1212 S2N2 Disulfur dinitride s2n2  
1213 CO3 Carbon trioxide co3  
1214 CO3-- carbonate co3--  
1215 CS3-- Carbonotrithioate cs3--  
1216 NO3 Nitrogen trioxide no3  
1217 NO3- nitrate anion no3-  
1218 NO3+ nitrogen trioxide cation no3+  
1219 SO3 Sulfur trioxide so3  
1220 SO3- Sulfur trioxide anion so3-  
1221 SO3-- Sulfate dianion so3--  
1222 SO3+ Sulfur trioxide cation so3+  
1223 SeO3 selenium trioxide seo3  
1224 S4 Sulfur tetramer s4  
1225 TeO3 Tellurium trioxide teo3  
1226 HCO3- bicarbonate anion hco3-  
1227 HNO3 Nitric acid hno3  
1228 HSO3 Hydroxysulfonyl radical hso3  
1229 NH2NO2 nitramide nh2no2  
1230 C2H2CO cyclopropenone c2h2co  
1231 C3H2O Propadienal c3h2o  
1232 HCCCHO 2-propynal hcccho  
1233 C2H2O2 Ethanedial c2h2o2  
1234 C2H2O2+ Ethanedial cation c2h2o2+  
1235 H2CO3 Carbonic acid h2co3  
1236 H2CS3 thiocarbonic acid h2cs3  
1237 H2NO3+ Nitric Acid, Protonated h2no3+  
1238 H2SO3 Sulfurous acid h2so3  
1239 C2H3NO Nitrosoethylene c2h3no  
1240 CH3NCO methylisocyante ch3nco  
1241 HOCH2CN cyanomethanol hoch2cn  
1242 CH3COO- acetate anion ch3coo-  
1243 CH3NO2 Methane, nitro- ch3no2  
1244 CH3ONO Methyl nitrite ch3ono  
1245 NH2COOH Carbamic acid nh2cooh  
1246 H3BO3 Boric acid h3bo3  
1247 H3AlO3 Aluminum hydroxide h3alo3  
1248 H3CO3+ carbonic acid, protonated h3co3+  
1249 C3H4O 2-Propyn-1-ol c107197  
1250 C3H4O allenol c9000071  
1251 C3H4O Cyclopropanone cpone  
1252 C3H4O Methylketene c6004440  
1253 CH2CHCHO Acrolein c3h4o  
1254 NH2CONH2 Urea urea  
1255 NH2CONH2+ Urea cation urea+  
1256 NH2CSNH2 Thiourea thiourea  
1257 C2H4O2 1,3-dioxetane c2h4o2  
1258 CH3COOH Acetic acid ch3cooh  
1259 CH3OCHO methyl formate ch3ocho  
1260 CHOCH2OH hydroxy acetaldehyde haa  
1261 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1262 NH3COOH+ protonated Carbamic acid nh3cooh+  
1263 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1264 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1265 HCOOHH2O Formic acid water dimer hcoohh2o  
1266 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1267 CH3COCH2 Acetonyl radical ch3coch2  
1268 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1269 CH3C(OH)=NH Ethaninidic acid eia  
1270 CH3CHNOH Acetaldoxime acetaldoxime  
1271 CH3CONH2 Acetamide acetamide  
1272 HCONHCH3 N-methylformamide nmfa  
1273 CH3CSNH2 Ethanethioamide ch3csnh2  
1274 CH5N2O+ urea, N-protonated ch4n2o+  
1275 H2NCOHNH2+ urea, protonated ureah+  
1276 C2H5OO ethylperoxy radical c2h5oo  
1277 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1278 C3H5OH Cyclopropanol cproh  
1279 C3H6O 2-Propen-1-ol c107186  
1280 C3H6O Acetone enol enol  
1281 C3H6O Oxetane oxetane  
1282 C3H6O Propylene oxide prox  
1283 CH3CH2CHO Propanal propanal  
1284 CH3COCH3 Acetone acetone  
1285 CH3COCH3- acetone anion ch3coch3-  
1286 C3H6S Thietane thietane  
1287 C3H6S Thiirane, methyl- methiirane  
1288 CH3CSCH3 Thioacetone ch3csch3  
1289 C2H6O2 1,2-Ethanediol ethdiol  
1290 CH3OOCH3 dimethylperoxide dmp  
1291 CH3SOCH3 Dimethyl sulfoxide dmso  
1292 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1293 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1294 CH3COHCH3+ acetone, protonated acetoneh+  
1295 HOCH2CH2NH2 monoethanolamine mea  
1296 C3H7OH 1-Propanol proh  
1297 CH3CHOHCH3 Isopropyl alcohol isoproh  
1298 CH3OC2H5 Ethane, methoxy- etome  
1299 C3H7SH 1-Propanethiol prsh  
1300 CH3CHSHCH3 2-Propanethiol isoprsh  
1301 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1302 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1303 Li2F2 Lithium fluoride dimer li2f2  
1304 Na2F2 Sodium Fluoride Dimer na2f2  
1305 Na2Cl2 Disodium dichloride na2cl2  
1306 C2F2 difluoroacetylene c2f2  
1307 C2Cl2 dichloroacetylene c2cl2  
1308 C2Cl2+ dichloroacetylene cation c2cl2+  
1309 FNO2 Nitryl fluoride fno2  
1310 FONO Nitrosyl hypofluorite fono  
1311 ClNO2 Nitryl chloride clno2  
1312 ClONO chlorine nitrite clono  
1313 BrONO Bromine nitrite brono  
1314 N2F2 (Z)-Difluorodiazene n2f2_z  
1315 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1316 CF2O Carbonic difluoride f2co  
1317 CF2O+ Carbonic difluoride cation f2co+  
1318 COFCl Carbonic chloride fluoride cofcl  
1319 CCl2O Phosgene cl2co  
1320 Cl2CS Thiophosgene cl2cs  
1321 COBr2 Carbonic dibromide cobr2  
1322 BF3- Borane, trifluoro- anion bf3-  
1323 BF3+ boron trifluoride cation bf3+  
1324 BClF2 Chlorodifluoroborane bclf2  
1325 AlF2Cl Aluminum chloride difluoride alclf2  
1326 ScF3 Scandium trifluoride ScF3  
1327 AlFCl2 Aluminum dichloride fluoride alcl2f  
1328 BCl3 Borane, trichloro- bcl3  
1329 BCl3+ Boron Trichloride cation bcl3+  
1330 GaF3 Gallium trifluoride gaf3  
1331 AlCl3 Aluminum trichloride alcl3  
1332 GaCl3 Gallium trichloride gacl3  
1333 BBr3 Boron tribromide bbr3  
1334 AlBr3 Aluminum Bromide albr3  
1335 ClO3 Chlorine trioxide clo3  
1336 ClO3- chlorate anion clo3-  
1337 BrO3- Bromate anion bro3-  
1338 CF3 Trifluoromethyl radical cf3  
1339 CF3- Trifluoromethyl anion cf3-  
1340 CF3+ Trifluoromethyl cation cf3+  
1341 CF2Cl difluorochloromethyl radical cf2cl  
1342 SiF3 Silicon trifluoride radical sif3  
1343 SiF3+ Silicon trifluoride cation sif3+  
1344 CFCl2 dichlorofluoromethyl radical cfcl2  
1345 CCl3 Trichloromethyl radical ccl3  
1346 CCl3- Trichloromethyl anion ccl3-  
1347 CCl3+ Trichloromethyl cation ccl3+  
1348 SiCl3 trichlorosilyl radical sicl3  
1349 SiCl3+ trichlorosilyl cation sicl3+  
1350 CBr3 tribromomethyl radical cbr3  
1351 FOOF Perfluoroperoxide foof  
1352 ClO2F Chloryl fluoride clo2f  
1353 F2SO Thionyl Fluoride f2so  
1354 ClOOCl Dichlorine dioxide cloocl  
1355 FSSF Difluorodisulfane fssf  
1356 S2F2 Thio-thionyl fluoride s2f2  
1357 SOCl2 thionyl chloride socl2  
1358 SSCl2 Thiothionyl chloride sscl2  
1359 SeOCl2 selenium oxychloride seocl2  
1360 NF3 Nitrogen trifluoride nf3  
1361 NF3- Nitrogen trifluoride anion nf3-  
1362 NF3+ Nitrogen trifluoride cation nf3+  
1363 PF3 Phosphorus trifluoride pf3  
1364 NCl3 nitrogen trichloride ncl3  
1365 AsF3 Arsenic trifluoride asf3  
1366 PCl3 Phosphorus trichloride pcl3  
1367 SbF3 Antimony Trifluoride sbf3  
1368 AsCl3 Arsenous trichloride ascl3  
1369 SbCl3 Antimony Trichloride sbcl3  
1370 NBr3 Nitrogen Tribromide nbr3  
1371 PBr3 Phosphorus tribromide pbr3  
1372 AsBr3 Arsenic tribromide asbr3  
1373 NI3 Nitrogen triiodide ni3  
1374 PI3 Phosphorus triiodide pi3  
1375 ClSSCl Disulfur dichloride s2cl2  
1376 SF3 Sulfur trifluoride sf3  
1377 ClF3 Chlorine trifluoride clf3  
1378 BrF3 Bromine trifluoride brf3  
1379 IF3 iodone trifluoride if3  
1380 HClO3 Chloric Acid hclo3  
1381 CHF3 Methane, trifluoro- chf3  
1382 CHF2Cl difluorochloromethane chf2cl  
1383 SiHF3 trifluorosilane sihf3  
1384 CHFCl2 fluorodichloromethane chfcl2  
1385 CDCl3 trichloromethane-d cdcl3  
1386 CHCl3 Chloroform chcl3  
1387 CHBrF2 Methane, bromodifluoro- chbrf2  
1388 SiHCl3 Trichlorosilane sihcl3  
1389 CHFClBr fluorochlorobromomethane chfclbr  
1390 CHBrCl2 Methane, bromodichloro- chbrcl2  
1391 CHF2I difluoroiodomethane chf2i  
1392 CHBr2F dibromofluoromethane chbr2f  
1393 CHFClI fluorochloroiodomethane chfcli  
1394 CHCl2I dichloroiodomethane chcl2i  
1395 CHClBr2 Methane, dibromochloro- chclbr2  
1396 CHBr3 bromoform chbr3  
1397 CHI3 Iodoform chi3  
1398 NF3H+ protonated nitrogen trifluoride nf3h+  
1399 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1400 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1401 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1402 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1403 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1404 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1405 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1406 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1407 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1408 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1409 C2H2Br2 1,1-dibromoethene c2h2br2  
1410 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1411 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1412 CH2FCHO Fluoroacetaldehyde ch2fcho  
1413 CH3COF Acetyl fluoride ch3cof  
1414 CH2ClCHO chloroacetaldehyde ch2clcho  
1415 CH3COCl Acetyl Chloride ch3cocl  
1416 C2H4F2 1,2-difluoroethane c2h4f2  
1417 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1418 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1419 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1420 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1421 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1422 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1423 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1424 CH2CFCH3 2-fluoropropene 2fpro  
1425 CH2CHCH2F Allyl Fluoride allylf  
1426 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1427 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1428 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1429 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1430 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1431 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1432 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1433 CH2FCH2CH3 1-Fluoropropane prf1  
1434 CH3CHFCH3 2-Fluoropropane prf2  
1435 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1436 CH3CHClCH3 Propane, 2-chloro- prcl2  
1437 CH3CH2CH2Br n-propyl bromide prbr  
1438 CH3CHBrCH3 i-propyl bromide iprbr  
1439 C3H9O+ trimethyl oxonium cation c3h9o+  
1440 B5H9 pentaborane9 b5h9  
1441 C5H4 pentatetraene ptrene  
1442 C5H5 cyclopentadienyl radical c5h5  
1443 C5H5- cylopentadienyl anion c5h5-  
1444 C5H6 1,3-Cyclopentadiene c542927  
1445 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1446 C5H6 3-Penten-1-yne, (E)- c2004695  
1447 C5H6 3-Penten-1-yne, (Z)- c1574409  
1448 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1449 C5H6 Cyclopropylacetylene c6746947  
1450 C5H6 Propellane propellane  
1451 C5H7 1,3-pentadienyl radical pdyl  
1452 C5H7 cyclopentenyl radical cpyl  
1453 C5H8 1,2-Butadiene, 3-methyl- c598254  
1454 C5H8 1,2-Pentadiene c591957  
1455 C5H8 1,3-Butadiene, 2-methyl- c78795  
1456 C5H8 1,3-Pentadiene, (E)- c2004708  
1457 C5H8 1,3-Pentadiene, (Z)- c1574410  
1458 C5H8 1,4-Pentadiene c591935  
1459 C5H8 1-pentyne a1pentyne  
1460 C5H8 2,3-Pentadiene c591968  
1461 C5H8 Bicyclo[1.1.1]pentane bcp  
1462 C5H8 Cyclobutane, methylene- c1120565  
1463 C5H8 Cyclopentene c142290  
1464 C5H8 Ethenylcyclopropane c693867  
1465 CH3CCCH2CH3 2-Pentyne 2pentyne  
1466 C5H10 1-Butene, 2-methyl- c563462  
1467 C5H10 2-Butene, 2-methyl- c513359  
1468 C5H10 2-Pentene, (E)- c646048  
1469 C5H10 2-Pentene, (Z)- c627203  
1470 C5H10 Cyclopentane c287923  
1471 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1472 CH2CHCH2CH2CH3 1-pentene pentene  
1473 C5H11 2-Methylbut-2-yl radical c4348350  
1474 C5H12 Butane, 2-methyl- buta2  
1475 C5H12 Pentane pentane  
1476 C5H12 Propane, 2,2-dimethyl- neopentane  
1477 Si(CH3)4 tetramethylsilane tms  
1478 N2O3 Dinitrogen trioxide n2o3  
1479 C3H2N2 Malononitrile c3h2n2  
1480 CH2N4 1H-Tetrazole 1htz  
1481 C3H3N2 imidazolyl radical im  
1482 C3H3N2- imidizolyl anion im-  
1483 C2H3N3 1H-1,2,4-Triazole c288880  
1484 C4H4N pyrrolide radical c4h4n  
1485 C4H4N- pyrrolide anion c4h4n-  
1486 C3H4N2 1H-Imidazole 1himidaz  
1487 C3H4N2 1H-Pyrazole 1hpyraz  
1488 C3H4N2 2H-Imidazole imid2h  
1489 C3H4N2 4H-Imidazole imid4h  
1490 C4H5N (E)-2-Butenenitrile c627269  
1491 C4H5N (Z)-2-Butenenitrile c1190767  
1492 C4H5N 2H-pyrrole pyrrole2  
1493 C4H5N 3H-pyrrole pyrrole3  
1494 C4H5N Cyclopropanecarbonitrile c5500210  
1495 C4H5N Pyrrole pyrrole  
1496 CH2CHCH2CN Allylcyanide ch2chch2cn  
1497 C4H6N+ pyrrole, alpha-protonated appyr  
1498 C4H6N+ pyrrole, beta-protonated bppyr  
1499 C4H6N+ pyrrole, protonated ppyr  
1500 C3H6N2 3-Aminopropionitrile c151188  
1501 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1502 CH3CH2CH2CN Butanenitrile c109740  
1503 C5H8 Bicyclo[2.1.0]pentane c185944  
1504 C5H8 Spiropentane c157404  
1505 C4H9N Cyclobutylamine cbam  
1506 C4H9N Pyrrolidine pyrrolidine  
1507 C3H10N2 1,2-Diaminopropane diampr12  
1508 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1509 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1510 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1511 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1512 NH(C2H5)2 diethylamine dea  
1513 NC4H12+ tetramethyl ammonium cation nc4h12+  
1514 C3O2 Carbon suboxide c3o2  
1515 C3O2+ Carbon suboxide cation c3o2+  
1516 B2O3 diboron trioxide b2o3  
1517 MgCO3 Magnesium Carbonate mgco3  
1518 BeCO3 Beryllium Carbonate beco3  
1519 CaCO3 Calcium Carbonate caco3  
1520 ONONO Nitrosyl nitrite onono  
1521 PO4--- phosphate po4---  
1522 SO4-- sulfate so4--  
1523 HOONO2 peroxy nitric acid hoono2  
1524 HSO4- bisulfate anion hso4-  
1525 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1526 C3H2O2 Propiolic acid c3h2o2  
1527 CHOCOOH oxo acetic acid oaa  
1528 CHOOCHO diformyl ether choocho  
1529 H2SO4 Sulfuric acid h2so4  
1530 H2SeO4 Selenic acid h2seo4  
1531 C3H3NO Isoxazole isox  
1532 C3H3NO Oxazole oxazole  
1533 C3H3NS Thiazole thiazole  
1534 CH3C(O)OO acetyl peroxy radical ch3coo2  
1535 CH3NO3 Methyl nitrate ch3no3  
1536 H3PO4 Phosphoric Acid h3po4  
1537 C4H4O Furan furan  
1538 C4H4O+ Furan cation furan+  
1539 CH3COCCH 3-butyn-2-one c1423605  
1540 C4H4S Thiophene furans  
1541 C4H4Se selenophene c4h4se  
1542 C3H4O2 β–Propiolactone beta  
1543 C3H4O2 2-Propenoic acid propenoic2  
1544 C3H4O2 Methyl glyoxal megly  
1545 C3H4O2 propanedial propanedial  
1546 C3H4O2 propenalol propenalol  
1547 HOCHCCHOH allenediol aldiol  
1548 C2H4O3 1,2,3-trioxolane c2h4o3  
1549 C2H4O3 trioxolane124 triox  
1550 HOCH2COOH Hydroxyacetic acid hac  
1551 CH2CHCONH2 Acrylamide c79061  
1552 CH3OCH2CN Methoxyacetonitrile c1738369  
1553 CH5N3S Hydrazinecarbothioamide c79196  
1554 H2NCH2COOH Glycine glycine  
1555 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1556 C4H6O cis-2-butenal butenal2c  
1557 C4H6O Cyclobutanone cbutone  
1558 C4H6O Furan, 2,3-dihydro- furan23h  
1559 C4H6O Furan, 2,5-dihydro- furan25h  
1560 CH2CHOCHCH2 Vinyl ether vinylether  
1561 CHOCHCHCH3 2-Butenal butenal2  
1562 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1563 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1564 CH2CHSCHCH2 Divinyl sulfide divis  
1565 C2H6N2O Urea, methyl- c598505  
1566 C3H6O2 1,3-Dioxolane dioxolane  
1567 CH3CH2COOH Propanoic Acid propanoic  
1568 CH3COOCH3 methyl acetate aame  
1569 HCOOC2H5 Ethyl formate faee  
1570 C2H6O2S Dimethyl sulfone c67710  
1571 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1572 C3H7NO dimethylformamide dmf  
1573 C3H7NO Propanamide propanam  
1574 C2H3OC2H5 Ethene, ethoxy- c109922  
1575 C4H8O Cyclobutanol c2919235  
1576 C4H8O Furan, tetrahydro- thf  
1577 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1578 CH3COCH2CH3 2-Butanone buta2one  
1579 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1580 CHOCH2CH2CH3 Butanal butanal  
1581 C4H8S Thiophene, tetrahydro- tht  
1582 C3H8O2 1,3-Propanediol c504632  
1583 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1584 C3H8O2 Methane, dimethoxy- c109875  
1585 C3H8O2 Propylene glycol c57556  
1586 C3H8S2 1,3-Propanedithiol c109808  
1587 C4H10O 1-Butanol butanol1  
1588 C4H10O 1-Propanol, 2-methyl- c78831  
1589 C4H10O 2-Butanol, (.+/-.)- butanol2  
1590 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1591 C4H10O Ethoxy ethane etoet  
1592 C4H10O Methyl propyl ether meopr  
1593 C4H10O Propane, 2-methoxy- c598538  
1594 C4H10O+ 1-Butanol cation butanol1+  
1595 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1596 C2H5SC2H5 Diethyl sulfide etset  
1597 C4H9SH 1-Butanethiol bush  
1598 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1599 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1600 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1601 FNO3 Fluorine nitrate fno3  
1602 ClONO2 Chlorine nitrate clono2  
1603 BrONO2 Bromine nitrate brono2  
1604 TiCl4 Titanium tetrachloride ticl4  
1605 ClO4- perchlorate anion clo4-  
1606 BF4- tetrafluoroboron anion bf4-  
1607 ClFO3 Perchloryl fluoride clfo3  
1608 SO2F2 Sulfuryl fluoride so2f2  
1609 SO2Cl2 Sulfuryl chloride so2cl2  
1610 F3NO Nitrogen trifluoride oxide f3no  
1611 F3PO Phosphoryl fluoride pf3o  
1612 Cl3PO Phosphoryl chloride pcl3o  
1613 CF4 Carbon tetrafluoride cf4  
1614 CF3Cl Methane, chlorotrifluoro- cf3cl  
1615 SiF4 Silicon tetrafluoride sif4  
1616 CF2Cl2 difluorodichloromethane cf2cl2  
1617 TiF4 Titanium tetrafluoride tif4  
1618 CFCl3 Trichloromonofluoromethane cfcl3  
1619 CF3Br Bromotrifluoromethane cf3br  
1620 GeF4 Germanium tetrafluoride gef4  
1621 CCl4 Carbon tetrachloride ccl4  
1622 CCl4+ Carbon tetrachloride cation ccl4+  
1623 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1624 SiCl4 Silane, tetrachloro- sicl4  
1625 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1626 CF3I trifluoroiodomethane cf3i  
1627 CBrCl3 Methane, bromotrichloro- cbrcl3  
1628 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1629 GeCl4 Germanium Tetrachloride gecl4  
1630 CBr2ClF dibromochlorofluoromethane cbr2clf  
1631 CBr2Cl2 dibromodichloromethane cbr2cl2  
1632 CCl3I trichloroiodomethane ccl3i  
1633 CFBr3 fluorotribromomethane cfbr3  
1634 CFClBrI fluorochlorobromoiodomethane cfclbri  
1635 CBr3Cl tribromochloromethane cbr3cl  
1636 CF2I2 difluorodiiodomethane cf2i2  
1637 CBr4 Carbon tetrabromide cbr4  
1638 CCl2I2 dichlorodiiodomethane ccl2i2  
1639 SiBr4 Silicon tetrabromide sibr4  
1640 CBr3I tribromoiododmethane cbr3i  
1641 GeBr4 Germanium tetrabromide gebr4  
1642 CI4 tetraiodomethane ci4  
1643 SiI4 silicon tetraiodide sii4  
1644 ClOF3 Chlorine trifluoride oxide clof3  
1645 SF4 Sulfur tetrafluoride sf4  
1646 SeF4 Selenium tetrafluoride sef4  
1647 SCl4 Sulfur tetrachloride scl4  
1648 C2HF3 Trifluoroethylene c2hf3  
1649 C2HF3+ Trifluoroethylene cation c2hf3+  
1650 CHClCCl2 Trichloroethylene chclccl2  
1651 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1652 HClO4 perchloric acid hclo4  
1653 HSO3F Fluorosulfonic acid hso3f  
1654 CF3OH trifluoromethanol cf3oh  
1655 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1656 CHClCCHCl 1,3-dichloroallene chclcchcl  
1657 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1658 CHCl2CHO dichloroacetaldehyde chcl2cho  
1659 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1660 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1661 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1662 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1663 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1664 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1665 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1666 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1667 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1668 NH3BCl3 Amminetrichloroboron nh3bcl3  
1669 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1670 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1671 C3H5ClO Oxirane, (chloromethyl)- c106898  
1672 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1673 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1674 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1675 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1676 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1677 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1678 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1679 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1680 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1681 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1682 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1683 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1684 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1685 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1686 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1687 C4H9F 1-fluorobutane butaf1  
1688 CH3CHFCH2CH3 2-fluorobutane butaf2  
1689 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1690 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1691 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1692 XeF4 Xenon tetrafluoride xef4  
1693 C2H2N2O Furazan furazan  
1694 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1695 NH3BF3 Amminetrifluoroboron nh3bf3  
1696 C6H2 hexatriyne c6h2  
1697 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1698 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1699 C6H4 Benzyne benzyne  
1700 C6H5 phenyl phenyl  
1701 C6H5- phenyl anion phenyl-  
1702 C6H6 Prismane prismane  
1703 C6H6 1,2,4,5-Hexatetraene ht1245  
1704 C6H6 2,4-Hexadiyne hexadiyne  
1705 C6H6 3,4-Dimethylenecyclobutene cb34m  
1706 C6H6 Benzene benzene  
1707 C6H6 Benzvalene bv  
1708 C6H6 Dewar Benzene dewar  
1709 C6H6 Hexa-1,5-diene-3-yne hdy153  
1710 C6H6 Trimethylenecycopropane tmcp  
1711 C6H6+ Benzene cation c6h6+  
1712 C6H7+ benzene, protonated c6h7+  
1713 C6H8 (E)-hexa-1,3,5-triene c821078  
1714 C6H8 (E)-hexa-2,3,4-triene c59660650  
1715 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1716 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1717 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1718 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1719 C6H8 3-Methylenecyclopentene c930267  
1720 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1721 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1722 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1723 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1724 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1725 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1726 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1727 C6H10 1,5-Hexadiene c592427  
1728 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1729 C6H10 1-Hexyne hexyne1  
1730 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1731 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1732 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1733 C6H10 2-Hexyne c764352  
1734 C6H10 3-Hexyne hexyne3  
1735 C6H10 cyclohexene cyclohexene  
1736 C6H10 Cyclopentene, 1-methyl- c693890  
1737 C6H10 Cyclopentene, 3-methyl- c1120623  
1738 C6H10 Cyclopentene, 4-methyl- c1759815  
1739 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1740 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1741 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1742 C6H12 (E)-2-Hexene e2hexene  
1743 C6H12 (E)-3-methylpent-2-ene c616126  
1744 C6H12 (E)-hex-3-ene e3hexene  
1745 C6H12 (Z)-3-methylpent-2-ene c922623  
1746 C6H12 (Z)-hex-2-ene z2hexene  
1747 C6H12 (Z)-hex-3-ene z3hexene  
1748 C6H12 2,3-dimethylbut-1-ene c563780  
1749 C6H12 2,3-dimethyl-but-2-ene tmeet  
1750 C6H12 3-methylenepentane c760214  
1751 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1752 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1753 C6H12 Cyclohexane cyclohexane  
1754 C6H12 Cyclopentane, methyl- c96377  
1755 C6H12 Ethylcyclobutane c4806615  
1756 C6H12 hex-1-ene hexene1  
1757 C6H14 Butane, 2,2-dimethyl- buta22  
1758 C6H14 Butane, 2,3-dimethyl- buta23  
1759 C6H14 Hexane hexane  
1760 C6H14 Pentane, 2-methyl- penta2  
1761 C6H14 Pentane, 3-methyl- penta3  
1762 C4N2 2-Butynedinitrile c4n2  
1763 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1764 C4H2N2 Fumaronitrile c4h2n2  
1765 C2H2N4 sym-tetrazine ttz  
1766 C3H3N3 1,3,5-Triazine triazine135  
1767 CH3N5 5-Aminotetrazole c4418615  
1768 C4H4N2 1,3-Diazine diazine13  
1769 C4H4N2 Pyrazine pyrazine  
1770 C4H4N2 Pyridazine pyridazine  
1771 C4H4N2 Succinonitrile c110612  
1772 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1773 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1774 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1775 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1776 C5H5N E-2,4-pentadienenitrile bdcn  
1777 C5H5N Pyridine pyridine  
1778 B3N3H6 borazine borazine  
1779 C6H6 Fulvene fulvene  
1780 C5H6N+ Pyridinium c5h6n  
1781 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1782 C5H7N (E)-2-Pentenenitrile c26294984  
1783 C5H7N (E)-3-Pentenenitrile c16529661  
1784 C5H7N (Z)-2-Pentenenitrile c25899507  
1785 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1786 C5H7N Cyclobutanecarbonitrile c4426113  
1787 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1788 C5H9N Butanenitrile, 2-methyl- c18936179  
1789 C5H9N Pentanenitrile c110598  
1790 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1791 C6H10 Bicyclo[3.1.0]hexane c285585  
1792 C5H11N Cyclopentanamine cypentam  
1793 C5H11N Piperidine piper  
1794 C4H12N2 1,2-Butanediamine c4426486  
1795 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1796 Li2CO3 Lithium Carbonate li2co3  
1797 Na2CO3 Sodium Carbonate na2co3  
1798 C2O4-- oxalate anion c2o4  
1799 MgSO4 Magnesium Sulfate mgso4  
1800 N2O4 Dinitrogen tetroxide n2o4  
1801 C3H2O3 vinylene carbonate vica  
1802 C2H2O4 Oxalic Acid oxalic  
1803 C2H3NO3 Oxamic acid oxamic  
1804 C4H4O2 2(5H)-Furanone furanone  
1805 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1806 C2H4N2O2 Oxalamide oxalamide  
1807 C2H4N2S2 Ethanedithioamide c79403  
1808 C2H4CO3 Ethylene carbonate etco3  
1809 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1810 C3H4S3 1,3-Dithiolane-2-thione c822388  
1811 C2H4O4 Formic acid dimer fadimer  
1812 C4H5NO 3-Methylisoxazole isox3m  
1813 C4H5NO Isoxazole, 5-methyl- c5765446  
1814 C4H5NS 4-Methylthiazole c693958  
1815 C2H5NO3 Nitric acid, ethyl ester c625581  
1816 C5H6O 2H-Pyran pyran2  
1817 C5H6O 2-methylfuran furan2m  
1818 C5H6O 3-Methylfuran furan3m  
1819 C5H6O Pentadienal pdal  
1820 C5H6S Thiophene, 2-methyl- c554143  
1821 C5H6S Thiophene, 3-methyl- c616444  
1822 C4H6O2 γ–Butyrolactone c96480  
1823 C4H6O2 2,3-Butanedione c431038  
1824 C4H6O2 2-Propenoic acid, methyl ester c96333  
1825 C4H6O2 Crotonic Acid crot  
1826 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1827 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1828 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1829 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1830 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1831 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1832 C4H6OS Vinyl sulfoxide c1115157  
1833 CH6N4S Carbonothioic dihydrazide thiacarb  
1834 C2H6N2O2 (E)-Azodioxymethane c37765154  
1835 C2H6N2O2 Dimethylnitroamine c4164287  
1836 C3H6O3 1,3,5-Trioxane trioxane  
1837 C3H6S3 1,3,5-Trithiane c3h6s3  
1838 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1839 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1840 C4H7NO 2-Pyrrolidinone c616455  
1841 C4H7NO Ethoxyacetonitrile etoaccn  
1842 C4H7NO Methacrylamide c79390  
1843 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1844 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1845 C3H7ONO Propyl nitrite prono  
1846 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1847 CH3CH(NH2)COOH Alanine alanine  
1848 CH3NHCH2COOH Sarcosine sarcosine  
1849 NH2CH2CH2COOH β–alanine betaalanine  
1850 NH2COOC2H5 Urethane urethane  
1851 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1852 C5H8O Cyclopentanone c120923  
1853 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1854 C5H8O Methyl cyclopropyl ketone c765435  
1855 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1856 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1857 NH2CONHC2H5 Urea, ethyl- c625525  
1858 C4H8O2 1,3-Dioxane dioxan13  
1859 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1860 C4H8O2 1,4-Dioxane dioxan14  
1861 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1862 C4H8O2 Ethyl acetate c141786  
1863 C4H8OS s-Ethyl thioacetate c625605  
1864 C3H8O3 1,2,3-Propanetriol glycerin  
1865 C3H8O2S (Methylsulfonyl)ethane c594434  
1866 C4H9NO Butanamide c541355  
1867 C4H9NO Propanamide, 2-methyl- c563837  
1868 C5H10O 2-Butanone, 3-methyl- c563804  
1869 C5H10O 2H-Pyran, tetrahydro- c142687  
1870 C5H10O 2-methylbutyraldehyde 2meba  
1871 C5H10O 2-Pentanone mpk  
1872 C5H10O 3-Pentanone dek  
1873 C5H10O Cyclopentanol c96413  
1874 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1875 C5H10O Pentanal pal  
1876 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1877 C5H10S 3-Ethylthio-1-propene c5296628  
1878 C5H10S Cyclopentanethiol c1679078  
1879 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1880 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1881 C4H10O2 1,1-Dimethoxyethane c534156  
1882 C4H10O2 1,3-Butanediol budiol13  
1883 C4H10O2 1,4-Butanediol budiol14  
1884 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1885 C4H10OS Diethyl sulfoxide c70291  
1886 C4H10S2 1,4-Butanedithiol budisl14  
1887 C4H11NO Diethylhydroxylamine c3710847  
1888 C5H12O 1-Butanol, 2-methyl- c137326  
1889 C5H12O 1-Butanol, 3-methyl- c123513  
1890 C5H12O 1-Pentanol pentanol1  
1891 C5H12O 2-Butanol, 3-methyl- c598754  
1892 C5H12O 2-Pentanol peol2  
1893 C5H12O 3-Pentanol pentan3ol  
1894 C5H12O Butane, 1-methoxy- meobu  
1895 C5H12O Propane, 1-ethoxy- proet  
1896 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1897 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1898 C5H12S 1-Butanethiol, 3-methyl- c541311  
1899 C5H12S 1-Pentanethiol c110667  
1900 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1901 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1902 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1903 C5H12S Butane, 1-(methylthio)- c628295  
1904 C5H12S Ethyl propyl sulfide c4110503  
1905 C5H12S Propane, 2-(ethylthio)- c5145993  
1906 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1907 C4F2 difluorobutadiyne c4f2  
1908 ClCOClCO Oxalyl chloride oxcl  
1909 CF3CN Acetonitrile, trifluoro- cf3cn  
1910 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1911 B2F4 Diboron tetrafluoride b2f4  
1912 B2Cl4 Diboron tetrachloride b2cl4  
1913 C2F4 Tetrafluoroethylene c2f4  
1914 C2F4+ Tetrafluoroethylene cation c2f4+  
1915 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1916 CF2CCl2 difluorodichloroethylene cf2ccl2  
1917 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1918 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1919 C2FCl3 fluorotrichloroethene c2fcl3  
1920 C2Cl4 Tetrachloroethylene c2cl4  
1921 C2Br4 tetrabromoethene c2br4  
1922 CF3OF Trifluoromethylhypofluorite cf3of  
1923 SiF5- silicon pentafluoride anion sif5-  
1924 SOF4 Sulfur tetrafluoride oxide sof4  
1925 PF5 Phosphorus pentafluoride pf5  
1926 AsF5 Arsenic pentafluoride asf5  
1927 PCl5 Phosphorus pentachloride pcl5  
1928 SF5 Sulfur pentafluoride sf5  
1929 SF5+ pentafluoro sulfur cation sf5+  
1930 SbCl5 Antimony pentachloride sbcl5  
1931 BrF5 bromine pentafluoride brf5  
1932 ClF5 chlorinepentafluoride clf5  
1933 IF5 pentafluoroiodine if5  
1934 CF3CHO trifluoroacetaldehyde cf3cho  
1935 CCl3CHO trichloroacetaldehyde ccl3cho  
1936 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1937 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1938 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1939 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1940 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1941 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1942 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1943 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1944 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1945 CF3COOH trifluoroacetic acid cf3cooh  
1946 C4H3ClO Furan, 2-chloro fur2cl  
1947 C4H3ClO Furan,3-chloro fur3cl  
1948 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1949 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1950 C4H8Cl2 1,4-Dichlorobutane c110565  
1951 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1952 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1953 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1954 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1955 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1956 C5H11Cl Pentane, 1-chloro- pencl1  
1957 C4H8O2 Butanoic acid bua  
1958 C6H5CH2 benzyl radical benzyl  
1959 C7H7 cycloheptatrienyl radical c7h7  
1960 C7H7+ cycloheptatrienyl cation c7h7+  
1961 C6H5CH3 toluene toluene  
1962 C7H8 cycloheptatriene cht  
1963 C7H8 Norbornadiene norbor  
1964 C7H8 Quadricyclane qucy  
1965 C7H12 Norbornane nor  
1966 C7H14 cycloheptane c7h14  
1967 C7H16 2-methylhexane 2mhex  
1968 C7H16 3-methylhexane hex3m  
1969 C7H16 heptane heptane  
1970 CH(CN)3 tricyanomethane mecn3  
1971 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1972 C6H7N 2-Methylpyridine mp  
1973 C6H5NH2 aniline aniline  
1974 C6H13N 2-Methylpiperidine pip2m  
1975 C6H13N cyclohexanamine cham  
1976 C6H15N triethylamine tea  
1977 N2O5 Dinitrogen pentoxide n2o5  
1978 C4H2O3 Maleic Anhydride malan  
1979 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1980 C5H4O2 furfural furfural  
1981 C6H5O phenoxy radical phenoxy  
1982 C5H5NO 2(1H)-Pyridinone c72762006  
1983 C5H5NO 2(3H)-Pyridinone c9000048  
1984 C5H5NO 2(5H)-Pyridinone c9000037  
1985 C5H5NO 2-Pyridinol c109104  
1986 C5H5NO 3(2H)-Pyridinone c9000004  
1987 C5H5NO 3(4H)-Pyridinone c9000026  
1988 C5H5NO 3(6H)-Pyridinone c9000015  
1989 C5H5NO 3-Pyridinol c109002  
1990 C5H5NO 4(1H)-Pryidinone c9000060  
1991 C5H5NO 4(3H)-Pryidinone c9000059  
1992 C5H5NO 4-Pyridinol c626642  
1993 C6H5OH phenol phenol  
1994 C6H6O 2,4-Cyclohexadienone c24599573  
1995 C6H6O 2,5-Cyclohexadienone c5664335  
1996 C6H5SH Benzenethiol phsh  
1997 HO2CCHNH2CH2OH Serine serine  
1998 C5H8O2 Acetylacetone acac  
1999 C4H8O2S Sulfolane sulfolane  
2000 C7H10 Norbornene norbornene  
2001 CH(C2H3)3 trivinyl methane tvm  
2002 C6H10O cyclohexanone chexo  
2003 C6H12O hexanal c6h12o  
2004 C6H12O Oxepane oxepane  
2005 C3H7OC3H7 di-n-propyl ether propr  
2006 F2CCCF2 tetrafluoroallene pfa  
2007 CF3COO- trifluoro acetate anion cf3coo-  
2008 CF3COF trifluoroacetyl fluoride cf3cof  
2009 CF3COCl trifluoroacetyl chloride cf3cocl  
2010 PF6 Hexafluorophosphate neutral pf6  
2011 PF6- Hexafluorophosphate ion pf6-  
2012 SF6 Sulfur Hexafluoride sf6  
2013 SeF6 Selenium hexafluoride sef6  
2014 SF5Cl sulfur chloropentafluoride sf5cl  
2015 CF3CHF2 pentafluoroethane cf3chf2  
2016 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
2017 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2018 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2019 CCl3CHCl2 pentachloroethane ccl3chcl2  
2020 C6H5F Fluorobenzene bzf  
2021 C6H5Cl chlorobenzene bzcl  
2022 C6H5Br bromobenzene bzbr  
2023 C8H6 Calicene calicene  
2024 C6H5CCH phenylacetylene phac  
2025 C8H6 benzocyclobutadiene bcbd  
2026 C8H6 Pentalene pentalene  
2027 C6H5CHCH2 Styrene styrene  
2028 C8H8 cubane cubane  
2029 C8H8 cyclooctatetraene cot  
2030 C6H5CH2CH3 Ethylbenzene etbz  
2031 CH3C6H4CH3 meta-xylene mxylene  
2032 CH3C6H4CH3 paraxylene pxylene  
2033 C8H14 Bicyclo[2.2.2]octane bico222  
2034 C8H16 cyclooctane cyclooct  
2035 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2036 C8H18 Octane c8h18  
2037 C6H5CN phenyl cyanide phcn  
2038 C6H12N2 Triethylenediamine ted  
2039 C4O4-- squarate dianion c4o4--  
2040 S4N4 Tetrasulfur tetranitride s4n4  
2041 S8 Octasulfur s8  
2042 C6H4O2 parabenzoquinone pbq  
2043 C4H4N2O2 Uracil uracil  
2044 C6H5CHO benzaldehyde benzal  
2045 C6H5OCH3 Anisole anisole  
2046 C5H9NO2 Proline proline  
2047 C6H12O2 Methyl pivalate c598981  
2048 C6H12O2 Hexanoic acid hexa  
2049 C4F4 tetrafluorcyclobutadiene c4f4  
2050 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2051 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2052 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2053 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2054 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2055 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2056 C2F6 hexafluoroethane c2f6  
2057 C2Cl6 hexachloroethane c2cl6  
2058 IF7 Iodine heptafluoride if7  
2059 C6H4F2 metadifluorobenzene mdfb  
2060 C6H4F2 orthodifluorobenzene odfb  
2061 C6H4F2 1,4-difluorobenzene pdfb  
2062 C6H4Cl2 1,2-dichlorobenzene dcb12  
2063 C6H4Cl2 1,3-dichlorobenzene dcb13  
2064 C6H4Cl2 1,4-dichlorobenzene dcb14  
2065 C6H5NO nitrosobenzene bzno  
2066 C9H8 Indene indene  
2067 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2068 C9H12 n-propyl benzene prbz  
2069 C9H20 Nonane nonane  
2070 C(CN)4 tetracyanomethane c5n4  
2071 C5H4N4 purine purine  
2072 C8H7N Indole indole  
2073 C3H3N3O3 cyanuric acid cyanuric  
2074 C6H5NO2 Nitrobenzene c6h5no2  
2075 C6H5COOH benzoic acid benzo  
2076 CH3COC6H5 acetophenone acph  
2077 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2078 C3F6 hexafluoropropene c3f6  
2079 C6H3F3 Benzene trifluoride 123 bzf3a  
2080 C8H18O 1-Octanol octanol  
2081 C10H8 Azulene azu  
2082 C10H8 naphthalene naph  
2083 C10H10 bullvalene bullv  
2084 C10H16 adamantane adamantane  
2085 C6N4 Tetracyanoethylene tcne  
2086 C6N4- tetracyanoethylene anion tcne-  
2087 C10H22 Decane decane  
2088 C4F6 perfluorobutadiene c4f6  
2089 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2090 C3F8 perfluoropropane c3f8  
2091 Fe(CO)5 Iron pentacarbonyl ipc  
2092 Fe(C5H5)2 ferrocene fecp2  
2093 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2094 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2095 C12H8 Acenaphthylene acenaph  
2096 C12H8 biphenylene biph  
2097 C12H10 biphenyl biphenyl  
2098 C12H10 Heptalene heptalene  
2099 C6H12O6 Inositol inositol  
2100 C6F6 hexafluorobenzene c6f6  
2101 S2F10 disulphur decafluoride s2f10  
2102 C13H10 Fluorene fluorene  
2103 C14H10 Anthracene anth  
2104 C14H10 Phenanthrene phenanthrene  
2105 C14H14 Bibenzyl bibenzyl  
2106 C12H10N2 azobenzene azobenzene  
2107 C6H5COC6H5 benzophenone benzophenone  
2108 C16H10 Pyrene pyrene  
2109 C18H12 Tetracene tetracene  
2110 C19H16 Triphenylmethane tpm  
2111 C24H12 Coronene coronene  
2112 C60 Buckminsterfullerene c60