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 ROMP2 /cc-pVQZ

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count Species Name State Conformation
1 H- Hydrogen atom anion 2SKh
2 He2+ helium diatomic cation 2ΣuD∞h
3 Li Lithium atom 2SKh
4 Na Sodium atom 2SKh
5 Be+ Beryllium atom cation 2SKh
6 Mg+ Magnesium atom cation 2SKh
7 B Boron atom 2PKh
8 B Boron atom 4PKh
9 B+ Boron atom cation 1SKh
10 Al Aluminum atom 2PKh
11 AlH2- aluminum dihydride anion 1A1C2v
12 AlH2+ aluminum dihydride cation 1ΣgD∞h
13 BH3+ boron trihydride cation 2E'D3h
14 BH3+ boron trihydride cation 2B2C2v
15 AlH3- aluminum trihydride anion 2A2"D3h
16 AlH3+ aluminum trihydride cation 2ED3h
17 C Carbon atom 3P0Kh
18 Si Silicon atom 3PKh
19 CH2+ methylene cation 2A1C2v
20 SiH2- silicon dihydride anion 2B1C2v
21 SiH2+ silicon dihydride cation 2A1C2v
22 SiH3- Silyl anion 1A1C3v
23 SiH3+ Silyl cation 1A1'D3h
24 N Nitrogen atom 4SKh
25 N Nitrogen atom 2DKh
26 P Phosphorus atom 4SKh
27 PH2- Phosphino anion 1A1C2v
28 PH2+ Phosphino cation 1A1C2v
29 PH3+ Phosphine cation 2A1C3v
30 O Oxygen atom 3SKh
31 S Sulfur atom 3PKh
32 OH Hydroxyl radical 2ΠC∞v
33 H2S+ Hydrogen sulfide cation 2B1C2v
34 H2Se+ Hydrogen selenide cation 2B1C2v
35 F Fluorine atom 2PKh
36 Cl Chlorine atom 2PKh
37 Ne+ Neon atom cation 2PKh
38 Be2- Beryllium diatomic anion 2ΠuD∞h
39 BC- boron monocarbide anion 3ΠuC∞v
40 SiC- silicon monocarbide anion 2ΣgC∞v
41 SiC+ silicon monocarbide cation 2ΠC∞v
42 C2H3+ vinyl cation 1A1C2V bridging H
43 C2H4- Ethylene anion 2B2gD2h
44 C2H4+ Ethylene cation 2B3uD2h
45 BeN- Beryllium mononitride anion 1ΣC∞v
46 SiP Silicon monophosphide 2ΠC∞v
47 SiP- Silicon monophosphide anion 1ΣC∞v
48 SiP+ Silicon monophosphide cation 3ΣC∞v
49 LiO- lithium oxide anion 1ΣC∞v
50 LiO- lithium oxide anion 3ΣC∞v
51 LiO+ lithium oxide cation 3ΣC∞v
52 BeO- Beryllium monoxide anion 2ΣC∞v
53 BeO+ Beryllium monoxide cation 2ΠC∞v
54 BO- boron monoxide anion 1ΣC∞v
55 NO Nitric oxide 2ΠC∞v
56 O2 Oxygen diatomic 3ΣgD∞h
57 HCO+ Formyl cation 1ΣC∞v
58 HCS+ Thioformyl cation 1ΣC∞v
59 HNO+ Nitrosyl hydride cation 2A'Cs
60 HO2- Hydroperoxy anion 1A'Cs
61 HO2+ Hydroperoxy cation 1A'Cs
62 LiF- lithium fluoride anion 2ΣC∞v
63 LiF+ lithium fluoride cation 2ΠC∞v
64 BeF- Beryllium monofluoride anion 1ΣC∞v
65 BeF+ Beryllium monofluoride cation 1ΣC∞v
66 NCl nitrogen monochloride 3ΣC∞v
67 NCl- nitrogen monochloride anion 2ΠC∞v
68 NCl+ nitrogen monochloride cation 2ΠC∞v
69 C3H3+ cyclopropenyl cation 1A1D3h
70 C3H3+ Propargyl cation 1A1C2v
71 N2O- Nitrous oxide anion 2A'Cs
72 OCS+ Carbonyl sulfide cation 2ΠC∞v
73 NO2- Nitrogen dioxide anion 1A1C2v
74 NO2+ Nitrogen dioxide cation 1ΣGD∞h
75 PO2+ Phosphorus dioxide cation 1ΣGD∞h
76 O3- Ozone anion 2B1C2v
77 O3+ Ozone cation 2A1C2v
78 SO2- Sulfur dioxide anion 2B1C2v
79 SO2+ Sulfur dioxide cation 2A1C2v
80 HOCO+ Hydrocarboxyl cation 1A'Cs
81 CH2CO+ Ketene cation 2B1C2v
82 CF2- Difluoromethylene anion 2B1C2v
83 CF2+ Difluoromethylene cation 2A1C2v
84 CCl2+ dichloromethylene cation 2A1C2v
85 OClO+ Chlorine dioxide cation 1A1C2v
86 NF2+ Difluoroamino cation 1A1C2v
87 SF2+ sulfur difluoride cation 2B1C2v
88 HCCF+ fluoroacetylene cation 2ΠC∞v
89 C2N2+ Cyanogen cation 2ΠgD∞h
90 SO3- Sulfur trioxide anion 2A1pyramidal
91 SO3- Sulfur trioxide anion 2A2"planar
92 SO3+ Sulfur trioxide cation 2A2'D3h
93 C2Cl2+ dichloroacetylene cation 2ΠUD∞h
94 BF3- Borane, trifluoro- anion 2A1D3h
95 BF3+ boron trifluoride cation 2A2'D3h
96 CF3- Trifluoromethyl anion 1A1C3v
97 CCl3- Trichloromethyl anion 1A1C3v
98 CCl3+ Trichloromethyl cation 1A1'D3h
99 NF3- Nitrogen trifluoride anion 2A1C3v
100 NF3+ Nitrogen trifluoride cation 2A1C3v
101 C3O2+ Carbon suboxide cation 2ΠUD∞h

Species NOT done yet
count Species Name file name problem
1 D Deuterium atom d  
2 D- Deuterium atom anion d-  
3 D+ Deuterium atom cation d+  
4 H Hydrogen atom h  
5 H+ Hydrogen atom cation h+  
6 D2 Deuterium diatomic d2  
7 H2 Hydrogen diatomic h2  
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 he  
13 He- Helium atom anion he-  
14 He+ Helium atom cation he+  
15 HeH Helium hydride heh  
16 HeH+ Helium hydride cation heh+  
17 Li- Lithium atom anion li-  
18 Li+ Lithium atom cation li+  
19 Na- Sodium atom anion na-  
20 Na+ Sodium atom cation na+  
21 K Potassium atom k  
22 K- Potassium atom anion k-  
23 K+ Potassium atom cation k+  
24 Cu Copper atom cu  
25 Cu- Copper atom anion cu-  
26 Cu+ Copper atom cation cu+  
27 LiH Lithium Hydride lih  
28 LiH- lithium hydride anion lih-  
29 LiH+ lithium hydride cation lih+  
30 NaH sodium hydride nah  
31 NaH- sodium hydride anion nah-  
32 NaH+ sodium hydride cation nah+  
33 KH Potassium hydride kh  
34 KH+ Potassium hydrogen cation kh+  
35 CuH Copper monohydride cuh  
36 Be Beryllium atom be  
37 Be- Beryllium atom anion be-  
38 Mg Magnesium atom mg  
39 Mg- Magnesium atom anion mg-  
40 Ca Calcium atom ca  
41 Ca- Calcium atom anion ca-  
42 Ca+ Calcium atom cation ca+  
43 Zn Zinc atom zn  
44 Zn- Zinc atom anion zn-  
45 Zn+ Zinc atom cation zn+  
46 BeH beryllium monohydride beh  
47 BeH- berylium monohydride anion beh-  
48 BeH+ beryllium monohydride cation beh+  
49 MgH magnesium monohydride mgh  
50 MgH- magnesium monohydride anion mgh-  
51 MgH+ magnesium monohydride cation mgh+  
52 CaH Calcium monohydride cah  
53 CaH+ Calcium monohydride cation cah+  
54 TiH Titanium monohydride tih  
55 ZnH Zinc monohydride znh  
56 ZnH+ Zinc, protonated znh+  
57 BeH2 beryllium dihydride beh2  
58 BeH2+ Beryllium dihydride cation beh2+  
59 MgH2 magnesium dihydride mgh2  
60 CaH2 Calcium Hydride cah2  
61 ZnH2 Zinc hydride znh2  
62 B- Boron atom anion b-  
63 Al- Aluminum atom anion al-  
64 Al+ Aluminum atom cation al+  
65 Sc Scandium atom sc  
66 Sc+ Scandium cation sc+  
67 Ga Gallium atom ga  
68 Ga- Gallium atom anion ga-  
69 Ga+ Gallium atom cation ga+  
70 BH Boron monohydride bh  
71 BH- boron monohydride anion bh-  
72 BH+ boron monohydride cation bh+  
73 AlH aluminum monohydride alh  
74 AlH- aluminum monohydride anion alh-  
75 AlH+ aluminum monohydride cation alh+  
76 ScH Scandium monohydride sch  
77 ScH+ Scandium monohydride cation sch+  
78 GaH Gallium monohydride gah  
79 GaH+ Gallium monohydride cation gah+  
80 BH2 boron dihydride bh2  
81 BH2- boron dihydride anion bh2-  
82 BH2+ Boron dihydride cation bh2+  
83 AlH2 aluminum dihydride alh2  
84 BH3 boron trihydride bh3  
85 BH3- boron trihydride anion bh3-  
86 AlH3 aluminum trihydride 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 Si+ Silicon atom cation si+  
95 Ti Titanium atom ti  
96 Ti- Titanium atom anion ti-  
97 Ti+ Titanium atom cation ti+  
98 Ge Germanium atom ge  
99 Ge- Germanium anion ge-  
100 Ge+ Germanium cation ge+  
101 Sn Tin atom sn  
102 Sn+ Tin cation sn+  
103 CH Methylidyne ch  
104 CH- methylidyne anion ch-  
105 CH+ Methylidyne cation ch+  
106 SiH Silylidyne sih  
107 SiH- silicon monohydride anion sih-  
108 SiH+ silicon monohydride cation sih+  
109 GeH germylidene geh  
110 GeH+ Germaniun monohyrdide cation geh+  
111 CH2 Methylene ch2  
112 CH2- methylene anion ch2-  
113 SiH2 silicon dihydride sih2  
114 GeH2 germylene geh2  
115 GeH2- germylene anion geh2-  
116 CH3 Methyl radical ch3  
117 CH3- methyl anion ch3-  
118 CH3+ methyl cation ch3+  
119 SiH3 Silyl radical sih3  
120 GeH3 Germyl radical geh3  
121 GeH3+ germyl cation geh3+  
122 CD4 methane-d4 cd4  
123 CH2D2 methane-d2 ch2d2  
124 CH3D methane-d ch3d  
125 CH4 Methane ch4  
126 CH4- Methane anion ch4-  
127 CH4+ Methane cation ch4+  
128 CHD3 methane-d3 chd3  
129 SiH2D2 silane-d2 sih2d2  
130 SiH4 Silane sih4  
131 SiH4+ Silane cation sih4+  
132 GeH4 Germane geh4  
133 SnH4 Stannane snh4  
134 SiH5+ Silane, protonated sih5+  
135 N- Nitrogen atom anion n-  
136 P- Phosphorus atom anion p-  
137 P+ Phosphorus atom cation p+  
138 V Vanadium atom v  
139 V+ Vanadium atom cation v+  
140 As Arsenic atomic as  
141 As- Arsenic anion as-  
142 As+ Arsenic cation as+  
143 Sb Antimony atom sb  
144 NH Imidogen nh  
145 NH- Imidogen anion nh-  
146 NH+ imidogen cation nh+  
147 PH phosphorus monohydride ph  
148 PH- phosphorus monohydride anion ph-  
149 PH+ phosphorus monohydride cation ph+  
150 AsH Arsenic monohydride ash  
151 AsH+ Arsenic monohydride cation ash+  
152 SbH Antimony monohydride sbh  
153 ND2 Amidogen-d2 nd2  
154 NH2 Amino radical nh2  
155 NH2- amino anion nh2-  
156 NH2+ Amino cation nh2+  
157 PH2 Phosphino radical ph2  
158 AsH2 Arsenic dihydride ash2  
159 AsH2+ Arsenic dihydride cation ash2+  
160 ND3 Ammonia-d3 nd3  
161 NH3 Ammonia nh3  
162 NH3- Ammonia anion nh3-  
163 NH3+ ammonia cation nh3+  
164 PH3 Phosphine ph3  
165 AsH3 Arsine ash3  
166 AsH3+ Arsine cation ash3+  
167 SbH3 Stibine sbh3  
168 AsH4+ Arsonium ash4+  
169 NH4 Ammonium radical nh4  
170 NH4+ ammonium cation nh4+  
171 PH4 Phosphoranyl radical ph4  
172 PH4+ phosphonium cation ph4+  
173 O- Oxygen atom anion o-  
174 S- Sulfur atom anion s-  
175 S+ Sulfur atom cation s+  
176 Cr Chromium atom cr  
177 Se Selenium atom se  
178 Se- Selenium atom anion se-  
179 Se+ Selenium atom cation se+  
180 Te Tellurium atom te  
181 Te+ Tellurium atom cation te+  
182 DO Hydroxyl-d od  
183 OH- hydroxide anion oh-  
184 OH+ hydoxyl cation oh+  
185 DS Mercapto-d ds  
186 HS Mercapto radical hs  
187 HS- mercapto anion sh-  
188 HS+ sulfur monohydride cation sh+  
189 CrH Chromium hydride crh  
190 CrH+ Chromium hydride cation crh+  
191 HSe Selenium monohydride hse  
192 HSe- selenium monohydride anion hse-  
193 HSe+ selenium monohydride cation hse+  
194 TeH Telluryl radical teh  
195 D2O Deuterium oxide d2o  
196 H2O Water h2o  
197 H2O- water anion h2o-  
198 H2O+ water cation h2o+  
199 HDO Water-d1 hdo  
200 D2S Hydrogen sulfide-d2 d2s  
201 H2S Hydrogen sulfide h2s  
202 H2Se Hydrogen selenide h2se  
203 H2Te Hydrogen Telluride h2te  
204 H3O+ hydronium cation h3o+  
205 H3S+ Sulfonium cation h3s+  
206 H3Se+ Hydrogen Selenide, protonated h3se+  
207 F- Fluorine atom anion f-  
208 Cl- Chlorine atom anion cl-  
209 Mn Manganese atom mn  
210 Br Bromine atom br  
211 Br- Bromine atom anion br-  
212 Br+ Bromine atom cation br+  
213 I Iodine atom iodine  
214 I- Iodine atom anion iodine-  
215 I+ Iodine atom cation iodine+  
216 DF Hydrofluoric acid-d df  
217 HF Hydrogen fluoride hf  
218 HF- hydrogen fluoride anion hf-  
219 HF+ hydrogen fluoride cation hf+  
220 DCl Hydrochloric acid-d dcl  
221 HCl Hydrogen chloride hcl  
222 HCl- hydrogen chloride anion hcl-  
223 HCl+ hydrogen chloride cation hcl+  
224 HBr hydrogen bromide hbr  
225 HBr- hydrogen bromide anion hbr-  
226 HBr+ hydrogen bromide cation hbr+  
227 HI Hydrogen iodide hi  
228 HI+ Hydrogen iodide cation hi+  
229 H2F+ dihydrogen fluoride cation h2f+  
230 H2Cl+ dihydrogen monochloride cation h2cl+  
231 H2Br+ protonated hydrogen bromide h2br+  
232 H2I+ Iodonium h2i+  
233 Ne Neon atom ne  
234 Ne- Neon atom anion ne-  
235 Ar Argon atom ar  
236 Ar- Argon atom anion ar-  
237 Ar+ Argon atom cation ar+  
238 Fe Iron atom fe  
239 Kr Krypton atom kr  
240 Kr+ Krypton cation kr+  
241 Xe Xenon atom xe  
242 HeLi+ Helium Lithium cation heli+  
243 NeH neon hydrogen neh  
244 NeH+ neon hydrogen cation neh+  
245 ArH+ Argon hydride cation arh+  
246 KrH+ Protonated Krypton krh+  
247 XeH+ Xenon, protonated xeh+  
248 H2Ar H2 Ar dimer h2ar  
249 Co Cobalt atom cobalt  
250 Ni Nickel atom ni  
251 Li2 Lithium diatomic li2  
252 Li2- lithium diatomic anion li2-  
253 Li2+ lithium diatomic cation li2+  
254 NaLi lithium sodium lina  
255 NaLi- lithium sodium anion lina-  
256 NaLi+ lithium sodium cation lina+  
257 LiK Lithium Potassium lik  
258 Na2 Sodium diatomic na2  
259 Na2- sodium diatomic anion na2-  
260 Na2+ sodium diatomic cation na2+  
261 NaK Sodium Potassium nak  
262 NaK+ Sodium Potassium diatomic cation nak+  
263 K2 Potassium diatomic k2  
264 Cu2 Copper diatomic cu2  
265 LiBe Lithium Beryllium libe  
266 LiMg Lithium magnesium limg  
267 NaBe Sodium Beryllium nabe  
268 NaMg Sodium Magnesium namg  
269 Be2 Beryllium diatomic be2  
270 Be2+ Beryllium diatomic cation be2+  
271 BeMg Beryllium Magnesium bemg  
272 Mg2 Magnesium diatomic mg2  
273 Mg2- magnesium diatomic anion mg2-  
274 Mg2+ magnesium diatomic cation mg2+  
275 Ca2 Calcium diatomic ca2  
276 LiB Lithium boride lib  
277 LiAl Lithium Aluminum lial  
278 NaAl Sodium aluminum naal  
279 BeB Beryllium monoboride beb  
280 B2 Boron diatomic b2  
281 B2- Boron diatomic anion b2-  
282 B2+ Boron diatomic cation b2+  
283 BAl Boron Aluminum bal  
284 Al2 Aluminum diatomic al2  
285 Al2- aluminum diatomic anion al2-  
286 Al2+ aluminum diatomic cation al2+  
287 BGa Boron Gallium bga  
288 AlGa Aluminum Gallium alga  
289 Ga2 Gallium diatomic ga2  
290 HBBH Diborane(2) hbbh  
291 LiBH4 Lithium borohydride libh4  
292 B2H4 Diborane(4) D2d b2h4  
293 HBHHBH Diborane(4) C2V hbhhbh  
294 B2H6 Diborane b2h6  
295 B2H6+ Diborane cation b2h6  
296 Al2H6 dialane al2h6  
297 Ga2H6 digallane ga2h6  
298 LiC Lithium Carbide lic  
299 BeC Beryllium Carbide bec  
300 CaC Calcium monocarbide cac  
301 BC boron monocarbide bc  
302 BC+ boron monocarbide cation bc+  
303 AlC Aluminum carbide alc  
304 BSi Boron silicide bsi  
305 C2 Carbon diatomic c2  
306 C2- carbon diatomic anion c2-  
307 C2+ carbon diatomic cation c2+  
308 SiC silicon monocarbide sic  
309 Si2 Silicon diatomic si2  
310 Si2- silcon diatomic anion si2-  
311 Si2+ silcon diatomic cation si2+  
312 GeC Germanium monocarbide gec  
313 SiGe Silicon Germanium sige  
314 Ge2 Germanium diatomic ge2  
315 C2H Ethynyl radical c2h  
316 C2H- Ethynyl anion c2h-  
317 C2H+ Ethynyl cation c2h+  
318 ZnCH2 Zinc methylene znch2  
319 C2H2 Acetylene c2h2  
320 C2H2+ acetylene cation c2h2+  
321 CCH2 vinylidene vinylidene  
322 H2CC- vinylidene anion h2cc-  
323 HCCH- acetylene anion c2h2-  
324 Si2H2 disilyne si2h2  
325 CH3Li methyl lithium ch3li  
326 CuCH3 monomethyl copper cuch3  
327 ZnCH3 Zinc monomethyl znch3  
328 CH2BH methyleneborane ch2bh  
329 C2H3 vinyl c2h3  
330 C2H3- vinyl anion c2h3-  
331 C2H4 Ethylene c2h4  
332 CH3CH methylmethylene ch3ch  
333 CH2SiH2 silaethylene ch2sih2  
334 Si2H4 Disilene si2h4  
335 CH3BH2 methylborane ch3bh2  
336 C2H5 Ethyl radical c2h5  
337 C2H5- Ethyl anion c2h5-  
338 C2H5+ Ethyl cation c2h5+  
339 C2H6 Ethane c2h6  
340 C2H6+ ethane cation c2h6+  
341 CH3SiH3 methyl silane ch3sih3  
342 Si2H6 disilane si2h6  
343 GeH3CH3 methyl germane geh3ch3  
344 C2H7+ Ethane, protonated c2h7+  
345 LiN Lithium Nitride lin  
346 LiN+ Lithium Nitride cation lin+  
347 LiP Lithium monophosphide lip  
348 BeN Beryllium mononitride ben  
349 BeN+ Beryllium mononitride cation ben+  
350 MgN Magnesium Nitride mgn  
351 BN- boron nitride anion bn-  
352 AlN- aluminum mononitride anion aln-  
353 AlN+ aluminum mononitride cation aln+  
354 BP Boron monophosphide bp  
355 AlP Aluminum monophosphide alp  
356 GaN Gallium mononitride gan  
357 GaP Gallium monophosphide gap  
358 GaAs Gallium arsenide gaas  
359 BN boron nitride bn  
360 BN+ boron nitride cation bn+  
361 AlN Aluminum nitride aln  
362 CN Cyano radical cn  
363 CN- cyanide anion cn-  
364 CN+ Cyano cation cn+  
365 CP Carbon monophosphide cp  
366 CP- carbon monophosphide anion cp-  
367 CP+ carbon monophosphide cation cp+  
368 SiN Silicon nitride sin  
369 SiN- silicon mononitride anion sin-  
370 SiN+ silicon mononitride cation sin+  
371 TiN Titanium mononitride tin  
372 N2 Nitrogen diatomic n2  
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 NH3NH3 Ammonia Dimer nh3nh3  
430 N2H7+ ammonia ammonium dimer n2h7+  
431 LiO lithium oxide lio  
432 LiS Lithium monosulfide lis  
433 LiS+ Lithium sulfide cation lis+  
434 NaO sodium monoxide nao  
435 NaO- sodium oxide anion nao-  
436 NaO+ sodium oxide cation nao+  
437 KO Potassium monoxide ko  
438 KO+ Potassium monoxide cation ko+  
439 NaS Sodium sulfide nas  
440 CuO Copper Monoxide cuo  
441 LiSe Lithium monoselenide lise  
442 BeO beryllium oxide beo  
443 BeS beryllium sulfide bes  
444 MgO magnesium oxide mgo  
445 MgO- magnesium oxide anion mgo-  
446 MgO+ magnesium oxide cation mgo+  
447 CaO Calcium monoxide cao  
448 MgS magnesium sulfide mgs  
449 MgS- magnesium sulfide anion mgs-  
450 MgS+ magnesium sulfide cation mgs+  
451 CaS Calcium sulfide cas  
452 ZnO zinc monoxide zno  
453 ZnS Zinc sulfide zns  
454 BeS- Beryllium monosulfide anion bes-  
455 BeS+ Beryllium monosulfide cation bes+  
456 BO boron monoxide bo  
457 AlO Aluminum monoxide alo  
458 AlO- Aluminum monoxide anion alo-  
459 AlO+ aluminum monoxide cation alo+  
460 BS boron sulfide bs  
461 BS- boron monosulfide anion bs-  
462 BS+ boron monosulfide cation bs+  
463 AlS Aluminum sulfide als  
464 AlS- aluminum monosulfide anion als-  
465 AlS+ aluminum monosulfide cation als+  
466 ScO Scandium monoxide sco  
467 GaO Gallium monoxide gao  
468 GaS Gallium monosulfide gas  
469 BO+ boron monoxide cation bo+  
470 CO Carbon monoxide co  
471 CO- carbon monoxide anion co-  
472 CO+ carbon monoxide cation co+  
473 CS carbon monosulfide cs  
474 CS- carbon monosulfide anion cs-  
475 CS+ carbon monosulfide cation cs+  
476 SiO Silicon monoxide sio  
477 SiO- silicon monoxide anion sio-  
478 SiO+ silicon monoxide cation sio+  
479 SiS silicon monosulfide sis  
480 SiS- silicon monosulfide anion sis-  
481 SiS+ silicon monosulfide cation sis+  
482 TiO Titanium monoxide tio  
483 CSe Carbon monoselenide cse  
484 CSe- Carbon monoselenide anion cse-  
485 CSe+ Carbon monoselenide cation cse+  
486 GeO Germanium monoxide geo  
487 GeO+ Germanium monoxide cation geo+  
488 GeS Germanium monosulfide ges  
489 SiSe Silicon Monoselenide sise  
490 SiSe+ Silicon Monoselenide cation sise+  
491 GeSe Germanium monoselenide gese  
492 NO- nitric oxide anion no-  
493 NO+ nitric oxide cation no+  
494 NS Mononitrogen monosulfide ns  
495 NS- nitrogen sulfide anion ns-  
496 NS+ nitrogen sulfide cation ns+  
497 PO Phosphorus monoxide po  
498 PO- phosphorus monoxide anion po-  
499 PO+ phosphorus monoxide cation po+  
500 PS phosphorus sulfide ps  
501 PS- phosphorus monosulfide anion ps-  
502 PS+ phosphorus monosulfide cation ps+  
503 VO Vanadium monoxide vo  
504 AsO Arsenic monoxide aso  
505 NSe Nitrogen monoselenide nse  
506 AsS Arsenic monosulfide ass  
507 PSe Phosphorus monoselenide pse  
508 AsSe Arsenic monoselenide asse  
509 O2- oxygen diatomic anion o2-  
510 O2-- dioxygen dianion o2--  
511 O2+ diatomic oxygen cation o2+  
512 SO Sulfur monoxide so  
513 SO- sulfur monoxide anion so-  
514 SO+ sulfur monoxide cation so+  
515 S2 Sulfur diatomic s2  
516 S2- sulfur diatomic anion s2-  
517 S2+ sulfur diatomic cation s2+  
518 SeO Selenium monoxide seo  
519 SeO- selenium monoxide anion seo-  
520 SeO+ selenium monoxide cation seo+  
521 SeS Selenium monosulfide ses  
522 SeS- selenium monosulfide anion ses-  
523 SeS+ selenium monosulfide cation ses+  
524 TeO Tellurium monoxide teo  
525 Se2 Selenium diatomic se2  
526 Se2- selenium diatomic anion se2-  
527 Se2+ selenium diatomic cation se2+  
528 Te2 Tellurium diatomic te2  
529 LiOH lithium hydroxide lioh  
530 NaOH sodium hydroxide naoh  
531 KOH Potassium hydroxide koh  
532 BeOH beryllium monohydroxide beoh  
533 MgOH magnesium hydroxide mgoh  
534 CaOH Calcium monohydroxide caoh  
535 HBO Boron hydride oxide hbo  
536 HBS hydrogen boron sulfide hbs  
537 COH Hydroxymethylidyne coh  
538 COH+ Carbon Monoxide, protonated coh+  
539 HCO Formyl radical hco  
540 HCO- formyl anion hco-  
541 HCS Thioformyl radical hcs  
542 HCS- Thioformyl anion hcs-  
543 HNO Nitrosyl hydride hno  
544 HNO- Nitrosyl hydride anion hno-  
545 NOH Hydroxyimidogen noh  
546 NOH+ O-protonated nitric oxide noh+  
547 HNS Sulfur imide hns  
548 HNS- Sulfur imide anion hns-  
549 HO2 Hydroperoxy radical ho2  
550 HO2+ Hydroperoxy cation ho2+  
551 HSO+ Sulfur Monoxide, S-protonated HSO+  
552 SOH Sulfur Hydroxide soh  
553 SOH+ Sulfur Monoxide, protonated soh+  
554 HS2 Thiosulfeno radical hs2  
555 H2CO Formaldehyde h2co  
556 H2CO- formaldehyde anion h2co-  
557 H2CO+ formaldehyde cation h2co+  
558 HOCH hydroxycarbene hoch  
559 H2CS Thioformaldehyde h2cs  
560 H2CS- thioformaldehyde anion h2cs-  
561 H2CS+ thioformaldehyde cation h2cs+  
562 H2CSe Selenoformaldehyde h2cse  
563 H2NO nitroxide h2no  
564 H2O2 Hydrogen peroxide h2o2  
565 H2O2+ Hydrogen peroxide cation h2o2+  
566 H2OO water oxide h2oo  
567 HOSH hydrogen thioperoxide hosh  
568 H2S2 Disulfane h2s2  
569 H2S2+ hydrogen disulfide cation h2s2+  
570 H2Se2 hydrogen diselenide h2se2  
571 CH2OH Hydroxymethyl radical ch2oh  
572 CH2OH+ hydroxymethyl cation ch2oh+  
573 CH3O Methoxy radical ch3o  
574 CH3O- methoxy anion ch3o-  
575 CH3O+ Methoxy cation ch3o+  
576 CH3S thiomethoxy ch3s  
577 H2CSH+ Thioformaldehyde, protonated h2csh+  
578 NH2OH hydroxylamine nh2oh  
579 NH2OH+ Hydroxylamine cation nh2oh+  
580 NH3O Ammonia Oxide nh3o  
581 H2POH Phosphinous acid h2poh  
582 H3PO Phosphine oxide h3po  
583 NH2SH Thiohydroxylamine nh2sh  
584 NH3S sulfidoazane nh3s  
585 H3O2+ hydrogen peroxide, protonated h3o2+  
586 CH3OH Methyl alcohol ch3oh  
587 CH3OH- Methyl alcohol anion ch3oh-  
588 CH3OH+ Methyl alcohol cation ch3oh+  
589 CH3SH Methanethiol ch3sh  
590 CH3SH+ Methanethiol cation ch3sh+  
591 SiH3OH silanol sih3oh  
592 CH3SeH Methane selenol ch3seh  
593 NH2OH2+ protonated hydroxylamine nh2oh2+  
594 NH3OH+ N-protonated hydroxylamine nh3oh+  
595 H2OH2O water dimer h2oh2o  
596 CH3OH2+ Methanol, protonated ch3oh2+  
597 CH3SH2+ protonated methylsulfide ch3sh2+  
598 H2ONH3 Water Ammonia Dimer h2onh3  
599 H5O2+ Dihydroxonium ion h5o2+  
600 LiF lithium fluoride lif  
601 LiCl lithium chloride licl  
602 LiCl- lithium chloride anion licl-  
603 LiCl+ lithium chloride cation licl+  
604 NaF sodium fluoride naf  
605 NaF- sodium fluoride anion naf-  
606 NaF+ sodium fluoride cation naf+  
607 KF Potassium Fluoride kf  
608 NaCl Sodium Chloride nacl  
609 NaCl- sodium chloride anion nacl-  
610 NaCl+ sodium chloride cation nacl+  
611 KCl Potassium Chloride kcl  
612 CuF Copper monofluoride cuf  
613 LiBr Lithium Bromide libr  
614 LiBr- lithium bromide anion libr-  
615 LiBr+ lithium bromide cation libr+  
616 CuCl Copper monochloride cucl  
617 NaBr Sodium Bromide nabr  
618 NaBr- sodium bromide anion nabr-  
619 NaBr+ sodium bromide cation nabr+  
620 KBr Potassium Bromide kbr  
621 LiI Lithium Iodide lii  
622 NaI Sodium Iodide nai  
623 KI Potassium Iodide ki  
624 BeF Beryllium monofluoride bef  
625 BeCl beryllium monochloride becl  
626 MgF Magnesium monofluoride mgf  
627 MgF- magnesium fluoride anion mgf-  
628 MgF+ magnesium fluoride cation mgf+  
629 CaF Calcium monofluoride caf  
630 MgCl magnesium monochloride mgcl  
631 MgCl- magnesium monochloride anion mgcl-  
632 MgCl+ magnesium monochloride cation mgcl+  
633 CaCl calcium monochloride cacl  
634 TiCl Titanium Monochloride ticl  
635 ZnF Zinc monofluoride znf  
636 ZnF- Zinc monofluoride anion znf-  
637 ZnF+ Zinc monofluoride cation znf+  
638 ZnCl Zinc monochloride zncl  
639 CaBr Calcium monobromide cabr  
640 BeCl- beryllium monochloride anion becl-  
641 BeCl+ beryllium monochloride cation becl+  
642 BF Boron monofluoride bf  
643 BF- Boron monofluoride anion bf-  
644 BF+ Boron monofluoride cation bf+  
645 AlF Aluminum monofluoride alf  
646 AlF- Aluminum monofluoride anion alf-  
647 AlF+ Aluminum monofluoride cation alf+  
648 BCl boron monochloride bcl  
649 BCl- boron monochloride anion bcl-  
650 BCl+ boron monochloride cation bcl+  
651 AlCl Aluminum monochloride alcl  
652 AlCl- aluminum monochloride anion alcl-  
653 AlCl+ aluminum monochloride cation alcl+  
654 ScF Scandium monofluoride scf  
655 BBr Boron monobromide bbr  
656 GaF Gallium monofluoride gaf  
657 GaF+ Gallium monofluoride cation gaf+  
658 AlBr Aluminum monobromide albr  
659 GaCl Gallium monochloride gacl  
660 GaCl+ Gallium monochloride cation gacl+  
661 AlI Aluminum monoiodide ali  
662 GaBr Gallium monobromide gabr  
663 CF Fluoromethylidyne cf  
664 CF- carbon monofluoride anion cf-  
665 CF+ carbon monofluoride cation cf+  
666 CCl carbon monochloride ccl  
667 CCl- carbon monochloride anion ccl-  
668 CCl+ carbon monochloride cation ccl+  
669 SiF silicon monofluoride sif  
670 SiF- silicon monofluoride anion sif-  
671 SiF+ silicon monofluoride cation sif+  
672 SiCl Clorosilylidyne sicl  
673 SiCl- silicon monochloride anion sicl-  
674 SiCl+ silicon monochloride cation sicl+  
675 CBr Carbon monobromide cbr  
676 GeF Germanium monofluoride gef  
677 GeF+ Germanium monofluoride cation gef+  
678 GeCl Germanium monochloride gecl  
679 GeCl+ Germanium monochloride cation gecl+  
680 SiBr Silicon monobromide sibr  
681 SiBr+ Silicon monobromide cation sibr+  
682 NF nitrogen fluoride nf  
683 NF- nitrogen monofluorine anion nf-  
684 NF+ nitrogen monofluoirde cation nf+  
685 PF phosphorus monofluoride pf  
686 PF- phosphorus monofluoride anion pf-  
687 PF+ phosphorus monofluoride cation pf+  
688 PCl phosphorus chloride pcl  
689 PCl- phosphorus monochloride anion pcl-  
690 PCl+ phosphorus monochloride cation pcl+  
691 AsF Arsenic monofluoride asf  
692 NBr nitrogen monobromide nbr  
693 AsCl Arsenic monochloride ascl  
694 PBr Phosphorus monobromide pbr  
695 SbF Antimony monofluoride sbf  
696 SbCl Antimony monochloride sbcl  
697 FO Oxygen monofluoride fo  
698 FO- flourine oxide anion fo-  
699 FO+ fluorine monoxide cation fo+  
700 ClO Monochlorine monoxide clo  
701 ClO- chlorine monoxide anion clo-  
702 ClO+ chlorine monoxide cation clo+  
703 SF Monosulfur monofluoride sf  
704 SF- sulfur monofluoride anion sf-  
705 SF+ sulfur monofluoride cation sf+  
706 SCl sulfur monochloride scl  
707 SCl- sulfur monochloride anion scl-  
708 SCl+ sulfur monochloride cation scl+  
709 BrO Bromine monoxide bro  
710 BrO- Bromine monoxide anion bro-  
711 BrO+ Bromine monoxide cation bro+  
712 SeF Selenium monofluoride sef  
713 SBr Sulfur monobromide radical sbr  
714 SBr+ Sulfur monobromide cation sbr+  
715 SeCl Selenium monochloride secl  
716 IO Iodine monoxide io  
717 SeBr Selenium monobromide sebr  
718 BrCl Bromine monochloride brcl  
719 F2 Fluorine diatomic f2  
720 F2- flourine diatomic anion f2-  
721 F2+ flourine diatomic cation f2+  
722 ClF Chlorine monofluoride clf  
723 ClF- clorine monofluoride anion clf-  
724 ClF+ clorine monofluoride cation clf+  
725 Cl2 Chlorine diatomic cl2  
726 Cl2- chlorine diatomic anion cl2-  
727 Cl2+ chlorine diatomic cation cl2+  
728 BrF Bromine monofluoride brf  
729 BrF- bromine fluoride anion brf-  
730 BrF+ bromine fluoride cation brf+  
731 BrCl- bromine chloride anion brcl-  
732 BrCl+ bromine chloride cation brcl+  
733 IF Iodine monofluoride if  
734 Br2 Bromine diatomic br2  
735 Br2- bromine diatomic anion br2-  
736 Br2+ bromine diatomic cation br2+  
737 ICl Iodine monochloride icl  
738 IBr Iodine monobromide ibr  
739 I2 Iodine diatomic i2  
740 I2+ Iodine diatomic cation i2+  
741 HCF Fluoromethylene hcf  
742 HCCl Chloromethylene hccl  
743 HSiF fluorosilylene hsif  
744 HSiCl Chlorosilylene hsicl  
745 HSiBr monobromosilylene hsibr  
746 CHBr bromomethylene chbr  
747 HOF Hypofluorous acid hfo  
748 DOCl Hypochlorous acid-d docl  
749 HOCl hypochlorous acid hocl  
750 HOCl+ hypochlorous acid cation hocl+  
751 HOBr Hypobromous acid hobr  
752 HOBr+ Hypobromous acid cation hobr+  
753 HOI Hypoiodous acid hoi  
754 F2H+ Fluorine, protonated f2h+  
755 FHF Hydrogen difluoride fhf  
756 FHF- Hydrogen difluoride anion fhf-  
757 ClFH+ Chlorine fluoride, F-protonated clfh+  
758 FClH+ Chlorine fluoride, Cl-protonated fclh+  
759 Cl2H+ Chlorine, protonated cl2h+  
760 CH2Br bromomethyl radical ch2br  
761 CH2F fluoromethyl radical ch2f  
762 CH2F+ fluoromethyl cation ch2f+  
763 CH2Cl+ chloromethyl cation ch2cl+  
764 CH2Cl chloromethyl radical ch2cl  
765 NH2F monofluoroamine nh2f  
766 NH2Cl chloramine nh2cl  
767 H2F2 Hydrogen fluoride dimer h2f2  
768 CH3F+ methyl fluoride cation ch3f+  
769 CD3F methylfluoride-d3 cd3f  
770 CH3F Methyl fluoride ch3f  
771 CD3Cl methyl chloride d3 cd3cl  
772 CH3Cl Methyl chloride ch3cl  
773 CH3Cl+ Methyl chloride cation ch3cl+  
774 SiH3F monofluorosilane sih3f  
775 SiH3Cl chlorosilane sih3cl  
776 CH3Br methyl bromide ch3br  
777 GeH3F monofluorogermane geh3f  
778 GeH3Cl monochlorogermane geh3cl  
779 SiH3Br bromosilane sih3br  
780 CH3I methyl iodide ch3i  
781 SiH3I Silyl Iodide sih3i  
782 NH3Cl+ protonated monochloroammonia nh3cl+  
783 CH3ClH+ methyl chloride, protonated ch3clh+  
784 NH4Cl Ammonium chloride nh4cl  
785 LiNe+ Lithium Neon cation line+  
786 Ne2 Neon diatomic ne2  
787 Ne2+ Neon diatomic cation ne2+  
788 Ar2 Argon diatomic ar2  
789 Ar2+ Argon diatomic cation ar2+  
790 Li3 Lithium trimer li3  
791 Li3+ Lithium trimer cation li3+  
792 C3 carbon trimer c3  
793 C3+ carbon trimer cation c3+  
794 SiC2 Silicon dicarbide sic2  
795 C3H3 cyclopropenyl radical cpr  
796 C3H3 Propargyl radical propargyl  
797 C3H4 cyclopropene cprop  
798 CH2CCH2 allene allene  
799 CH3CCH propyne propyne  
800 C3H5 Allyl radical allyl  
801 C3H5+ Allyl cation allyl+  
802 CH3CHCH 1-propenyl radical ch3chch  
803 Zn(CH3)2 dimethyl zinc dmz  
804 C3H6 Cyclopropane c3h6  
805 CH2CHCH3 Propene propene  
806 C3H7 n-Propyl radical npropyl  
807 C3H7+ cyclopropane, protonated c3h7+  
808 CH3CHCH3 Isopropyl radical isopropyl  
809 CH3CHCH3+ Isopropyl cation prop2yl+  
810 C3H8 Propane propane  
811 SiH2(CH3)2 dimethylsilane dms  
812 Si3H8 trisilane si3h8  
813 LiCN lithium cyanide licn  
814 NaCN Sodium Cyanide nacn  
815 KCN Potassium cyanide kcn  
816 CuCN Copper cyanide cucn  
817 ZnCN Zinc monocyanide zncn  
818 ZnNC Zinc isocyanide znnc  
819 AlCN Aluminum monocyanide alcn  
820 AlNC Aluminum isocyanide alnc  
821 CN2 3H-Diazirin-3-ylidene cn2  
822 CNN Diazocarbene cnn  
823 NCN Cyanoimidogen ncn  
824 N3 azide radical n3  
825 N3- azide anion n3-  
826 N3+ azide cation n3+  
827 HCCN cyanomethylene hccn  
828 HCNN diazomethyl radical hcnn  
829 HN3 hydrogen azide hn3  
830 HN3+ Hydrazoic acid cation hn3+  
831 HNCNH diiminomethane hncnh  
832 CH2N2 diazirine ch2n2  
833 CH2NN diazomethane ch2nn  
834 NH2CN cyanamide cyanamide  
835 HNNNH+ 1,2-Triazadienium n2h3+  
836 NH2NN+ hydrazoic acid, protonated nh2nn+  
837 CH3CN Acetonitrile ch3cn  
838 CH3CN+ Acetonitrile cation ch3cn+  
839 CH3NC methyl isocyanide ch3nc  
840 CHNCH2 2H-Azirine c157164  
841 CHNHCH 1H-Azirine chnhch  
842 H2CCNH Ethenimine ch2cnh  
843 H2CNCH methyleneaminomethylene ch2nch  
844 HCCNH2 Ethynamine hccnh2  
845 HCNCH2+ 2H-Azirine cation hcnch2+  
846 HNCNH2+ diiminomethane, protonated hncnh2+  
847 NCNH3+ Cyanamide, protonated ncnh3+  
848 NH2CNH+ cyanamide, cn protonated nh2cnh+  
849 NH3CN+ cyanamide, amine protonated nh3cn+  
850 CH2CHNH vinylazine ch2chnh  
851 CH3CHN methylmethaniminyl radical ch3chn  
852 NHCHNH2 aminomethanimine cn2h4  
853 C2H5N Aziridine c2h5n  
854 CH2CHNH2 aminoethene aminoethene  
855 CH2NCH3 N-methylmethanimine nmm  
856 CH3CHNH ethanimine ethanimine  
857 NH2BHNH2 diaminoborane nh2bhnh2  
858 C2H5NH+ Protonated Aziridine c2h5nh+  
859 C2H6N+ aziridine, protonated c2h6n+  
860 NH2CH2NH2 diaminomethane nh2ch2nh2  
861 CH3CH2NH2 Ethylamine etam  
862 CH3NHCH3 Dimethylamine ch3nhch3  
863 CH3PHCH3 dimethylphosphine ch3phch3  
864 NH2CH2NH3+ diaminoethane, protonated pdam  
865 (CH3)2NH2+ dimethylammonium cation dmam  
866 CH3CH2NH3+ ethylamine, protonated pea  
867 Li2O dilithium oxide li2o  
868 Li2O+ dilithium oxide cation li2o+  
869 Li2S dilithium sulfide li2s  
870 Na2O disodium monoxide na2o  
871 Na2S Sodium sulfide na2s  
872 LiO2 Lithium dioxide lio2  
873 NaO2 Sodium superoxide nao2  
874 CCO Dicarbon monoxide cco  
875 CNO- fulminate cno-  
876 NCO isocyanato radical nco  
877 NCO- cyanate nco-  
878 SCN thiocyanato radical scn  
879 SCN- thiocyanide anion scn-  
880 BO2 Boron dioxide bo2  
881 BO2- Boron dioxide anion bo2-  
882 BO2+ Boron dioxide cation bo2+  
883 N2O Nitrous oxide n2o  
884 N2O+ Nitrous oxide cation n2o+  
885 NNS Nitrogen sulfide nns  
886 PPO Phosphorus oxide phosphide ppo  
887 CO2 Carbon dioxide co2  
888 CO2- Carbon dioxide anion co2-  
889 CO2+ Carbon dioxide cation co2+  
890 OCS Carbonyl sulfide cos  
891 SiO2 silicon dioxide sio2  
892 CS2 Carbon disulfide cs2  
893 CS2- Carbon disulfide anion cs2-  
894 CS2+ Carbon disulfide cation cs2+  
895 TiO2 Titanium dioxide tio2  
896 SiS2 Silicon disulfide sis2  
897 GeO2 Germanium dioxide geo2  
898 OCSe Carbonyl selenide ocse  
899 SCSe Carbon sulfide selenide scse  
900 GeS2 Germanium disulfide ges2  
901 CSe2 Carbon diselenide cse2  
902 SCTe Carbon sulfide Telluride scte  
903 NO2 Nitrogen dioxide no2  
904 NSO sulfinyl amidogen NSO  
905 PO2 Phosphorus dioxide po2  
906 PO2- Phosphorus dioxide anion po2-  
907 SNO Nitrogen oxide sulfide sno  
908 AsO2 Aresenic dioxide aso2  
909 O3 Ozone o3  
910 SO2 Sulfur dioxide so2  
911 SSO Disulfur monoxide sso  
912 S3 Sulfur trimer s3  
913 S3- Sulfur trimer anion s3-  
914 S3+ Sulfur trimer cation s3+  
915 SeO2 Selenium dioxide seo2  
916 SeO2+ Selenium dioxide cation seo2+  
917 TeO2 Tellurium Dioxide teo2  
918 HCCO ketenyl radical ketenyl  
919 CS2H+ Carbon disulfide, protonated cs2h+  
920 HCNO fulminic acid hcno  
921 HNCO Isocyanic acid hnco  
922 HOCN cyanic acid hocn  
923 HNCS Isothiocyanic acid hncs  
924 HSCN thiocyanic acid hscn  
925 HCO2- formate anion hco2-  
926 HNNO nitrosoazane hnno  
927 HNNO+ Nitrous oxide, N-protonated hnno+  
928 NNOH+ Nitrous Oxide, O-protonated nnoh+  
929 HCOO formate neutral radical hcoo  
930 HOCO Hydrocarboxyl radical hoco  
931 HNO2 Nitrous acid hno2  
932 HNO2+ nitrous acid cation hno2+  
933 O3H+ protonated ozone o3h+  
934 SO2H+ protonated sulfur dioxide so2h+  
935 C2H2O Oxirene oxirene  
936 CH2CO Ketene ch2co  
937 HCCOH ethynol hccoh  
938 CH2CS Thioketene ch2cs  
939 Be(OH)2 Beryllium hydroxide beo2h2  
940 Mg(OH)2 Magnesium dihydroxide h2mgo2  
941 NH2NO Nitrosamide nh2no  
942 CH2O2 Dioxirane diox  
943 H2COO Dioxymethyl radical h2coo  
944 H2COO+ dioxymethyl cation h2coo+  
945 HCOOH Formic acid ch2o2  
946 H2O3 Hydrogen trioxide h2o3  
947 HSSSH trisulfane hsssh  
948 NaOCH3 Sodium methoxide naoch3  
949 CH2BOH hydroxy(methylene)borane ch2boh  
950 BH3CO Borane carbonyl bh3co  
951 CH3BO Borane, methyloxo- ch3bo  
952 CH2CHO Vinyloxy radical ch2cho  
953 CH2COH+ ketene, protonated ch2coh+  
954 CH3CO Acetyl radical ch3co  
955 CH3CO- Acetyl anion ch3co-  
956 CH3CO+ acetyl cation ch3co+  
957 CH2NOH formaldoxime ch2noh  
958 CH3NO nitrosomethane ch3no  
959 CHONH2 formamide formamide  
960 CNOH3 1,2-oxaziridine cnoh3  
961 HOCHNH hydroxymethylimine hochnh  
962 CHSNH2 thioformamide chsnh2  
963 NHCHSH Methanimidothioic acid nhchsh  
964 CH2OOH CH2OOH radical ch2ooh  
965 CH3OO methylperoxy radical ch3oo  
966 CH3OO- methylperoxy anion ch3oo-  
967 CH3OO+ methylperoxy cation ch3oo+  
968 C2H4O Ethylene oxide c2h4o  
969 C2H4O+ ethylene oxide cation c2h4o+  
970 CH2CHOH ethenol ch2choh  
971 CH3CHO Acetaldehyde ch3cho  
972 CH3CHO+ acetaldehyde cation ch3cho+  
973 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
974 C2H4S Thiirane thiirane  
975 CH2CHSH Ethenethiol ch2chsh  
976 CH3CHS Thioacetaldehyde ch3chs  
977 H2CONH2+ protonated formamide h2conh2+  
978 NH2CHOH+ Formamide, O-protonated nh2choh+  
979 NH3CHO+ Formamide, N-Protonated nh3cho+  
980 CH2(OH)2 methanediol ch2o2h2  
981 CH3OOH Methyl peroxide ch3ooh  
982 CH3SSH Hydrogen methyl disulfide ch3ssh  
983 HSCH2SH Methanedithiol ch4s2  
984 H2OH2CO water formaldehyde dimer h2oh2co  
985 C2H4OH+ ethylene oxide, protonated c2h4oh+  
986 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
987 CH3CH2O Ethoxy radical ethoxy  
988 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
989 CH3CHOH+ acetaldehyde, protonated ch3choh+  
990 CH3OCH2 methoxymethyl radical ch3och2  
991 NH2CH2OH aminomethanol nh2ch2oh  
992 CH3CH2OH Ethanol etoh  
993 CH3OCH3 Dimethyl ether meome  
994 CH3CH2SH ethanethiol etsh  
995 CH3SCH3 Dimethyl sulfide mesme  
996 CH3SCH3+ dimethyl sulfide cation mesme+  
997 CH3SeCH3 dimethylselenide dmse  
998 CH3OHH2O methanol water dimer ch3ohh2o  
999 H2OCH3OH water methanol dimer h2och3oh  
1000 CuF2 Copper difluoride cuf2  
1001 ZnF2 Zinc difluoride znf2  
1002 CNF iso cyanogen fluoride cnf  
1003 FCN Cyanogen fluoride fcn  
1004 ClCN chlorocyanogen clcn  
1005 BrCN Cyanogen bromide brcn  
1006 ICN Cyanogen iodide icn  
1007 FBO Boron monofluoride monoxide fbo  
1008 BeF2 Beryllium fluoride bef2  
1009 MgF2 Magnesium fluoride mgf2  
1010 BeCl2 Beryllium chloride becl2  
1011 MgCl2 Magnesium dichloride mgcl2  
1012 CaCl2 Calcium Chloride cacl2  
1013 ZnCl2 Zinc dichloride zncl2  
1014 BeBr2 Beryllium bromide bebr2  
1015 CaBr2 Calcium dibromide cabr2  
1016 CaF2 Calcium difluoride caf2  
1017 FCO Carbonyl fluoride fco  
1018 FCO+ Carbonyl fluoride cation fco+  
1019 ClCO carbonyl monochloride clco  
1020 BF2 Boron difluoride radical bf2  
1021 FNO Nitrosyl fluoride fno  
1022 ClNO Nitrosyl chloride clno  
1023 FNS Thionitrosyl fluoride fns  
1024 FSN Thiazyl fluoride fsn  
1025 OPCl Phosphorus oxychloride opcl  
1026 BrNO Nitrosyl bromide brno  
1027 INO Nitrosyl iodide ino  
1028 CF2 Difluoromethylene cf2  
1029 CFCl chlorofluoromethylene cfcl  
1030 SiF2 Silicon difluoride sif2  
1031 SiF2+ Silicon difluoride cation sif2+  
1032 CCl2 dichloromethylene ccl2  
1033 CCl2- dichloromethylene anion ccl2-  
1034 SiCl2 Dichlorosilylene sicl2  
1035 GeF2 Germanium difluoride gef2  
1036 GeCl2 Germanium dichloride gecl2  
1037 CBr2 dibromomethylene cbr2  
1038 FOO Dioxygen monofluoride radical foo  
1039 FOO+ Fluorine dioxide cation foo+  
1040 ClOO chloroperoxy radical cloo  
1041 ClOO+ chloroperoxy cation cloo+  
1042 OClO Chlorine dioxide oclo  
1043 OClO- Chlorine dioxide anion oclo-  
1044 ClSO Sulfur chloride oxide clso  
1045 ClS2 Sulfur chloride cls2  
1046 BrOO Bromine dioxide broo  
1047 OBrO Bromine dioxide radical obro  
1048 NF2 Difluoroamino radical nf2  
1049 PF2 Phosphorus difluoride pf2  
1050 PF2+ Phosphorus difluoride cation pf2+  
1051 FClO chlorosyl fluoride fclo  
1052 F2O Difluorine monoxide f2o  
1053 ClOF Chlorine hypofluorite clof  
1054 SF2 sulfur difluoride sf2  
1055 SF2- sulfur difluoride anion sf2-  
1056 Cl2O Dichlorine monoxide cl2o  
1057 SCl2 Sulfur dichloride scl2  
1058 SeF2 Selenium difluoride sef2  
1059 BrOCl Bromine hypochlorite brocl  
1060 SeCl2 Selenium Dichloride secl2  
1061 SBr2 Sulfur dibromide sbr2  
1062 SeBr2 Selenium dibromide sebr2  
1063 BrOBr Bromine oxide brobr  
1064 F3- trifluoride anion f3-  
1065 Cl3- trichloride anion cl3-  
1066 Br3- tribromide anion br3-  
1067 I3- triiodide i3-  
1068 SFCl Sulfur chloride fluoride sfcl  
1069 HCCF Fluoroacetylene hccf  
1070 HCCCl Chloroacetylene hcccl  
1071 HCCBr bromoacetylene hccbr  
1072 HFCO formyl fluoride hfco  
1073 HFCO+ formyl fluoride cation hfco+  
1074 COHCl Formyl chloride cohcl  
1075 COHBr Formyl bromide cohbr  
1076 BHF2 Difluoroborane bhf2  
1077 BHCl2 Borane, dichloro- bhcl2  
1078 CHCl2 dichloromethyl radical chcl2  
1079 CHF2 difluoromethyl radical chf2  
1080 CHF2+ difluoromethyl cation chf2+  
1081 CHFCl Chlorofluoromethyl radical chfcl  
1082 CHFCl+ Chlorofluoromethyl cation chfcl+  
1083 CHCl2+ dichloromethyl cation chcl2+  
1084 CHBr2 dibromomethyl radical chbr2  
1085 HOClO Chlorous acid hoclo  
1086 NHF2 difluoramine nhf2  
1087 NHCl2 dichloroamine nhcl2  
1088 CH2F2 Methane, difluoro- ch2f2  
1089 CH2FCl fluorochloromethane ch2fcl  
1090 SiH2F2 difluorosilane sih2f2  
1091 CH2Cl2 Methylene chloride ch2cl2  
1092 CH2BrF Methane, bromofluoro- ch2fbr  
1093 CH2BrCl Methane, bromochloro- ch2clbr  
1094 CH2FI fluoroiodomethane ch2fi  
1095 CH2Br2 dibromomethane ch2br2  
1096 CH2ClI chloroiodomethane ch2cli  
1097 CH2BrI bromoiodomethane ch2bri  
1098 CH2I2 Diiodomethane ch2i2  
1099 SiH2Cl2 dichlorosilane sih2cl2  
1100 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1101 CH2CHF Ethene, fluoro- ch2chf  
1102 CH2CHF+ fluoroethene cation ch2chf+  
1103 C2H3Cl Ethene, chloro- ch2chcl  
1104 C2H3Br vinyl bromide c2h3br  
1105 C2H3I Vinyl iodide c2h3i  
1106 CH2FOH fluoromethanol ch2foh  
1107 CH3OCl methyl hypochlorite ch3ocl  
1108 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1109 CHClCH3 1-chloroethyl radical chclch3  
1110 C2H5F fluoroethane c2h5f  
1111 CH3CH2Cl Ethyl chloride c2h5cl  
1112 CH3SiFH2 fluoromethylsilane ch3sifh2  
1113 C2H5Br Ethyl bromide etbr  
1114 C2H5I Ethyl iodide c2h5i  
1115 KrF2 Krypton difluoride krf2  
1116 XeF2 Xenon difluoride xef2  
1117 B4H10 Tetraborane(10) b4h10  
1118 C4 Carbon tetramer c4  
1119 C4+ Carbon tetramer cation c4+  
1120 C4H2 Diacetylene c4h2  
1121 C2H3CCH 1-Buten-3-yne c2h3cch  
1122 C4H4 cyclobutadiene cbd  
1123 C4H4 Tetrahedrane c4h4  
1124 H2CCCCH2 Butatriene h2cccch2  
1125 C4H6 1-Methylcyclopropene c3100047  
1126 C4H6 Cyclobutene c822355  
1127 C4H6 Methylenecyclopropane c6142730  
1128 CH2CCHCH3 1,2-Butadiene butad12  
1129 CH2CHCHCH2 1,3-Butadiene c106990  
1130 CH3CCCH3 2-Butyne c503173  
1131 CHCCH2CH3 1-Butyne c107006  
1132 CH3CHCHCH2 methylallyl radical c4h7  
1133 C4H8 methylcyclopropane mcp  
1134 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1135 CH2CHCH2CH3 1-Butene bute1  
1136 CH3CHCHCH3 2-Butene, (E)- bute2e  
1137 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1138 B(CH3)3 trimethylborane bme3  
1139 Al(CH3)3 trimethyl aluminum tma  
1140 C(CH3)3 Tert-butyl radical tbutyl  
1141 CH2CH(CH3)2 Isobutyl radical isobutyl  
1142 CH3CHCH2CH3 2-Butyl radical butyl2  
1143 CH3CH(CH3)CH3 Isobutane isobutane  
1144 CH3CH2CH2CH3 Butane butane  
1145 SiH(CH3)3 trimethylsilane trimsi  
1146 Li3N trilithium nitride li3n  
1147 C2N2 Cyanogen c2n2  
1148 P4 Phosphorus tetramer p4  
1149 As4 Arsenic tetramer as4  
1150 HCCCN Cyanoacetylene hcccn  
1151 HCCCN+ Cyanoacetylene cation hcccn+  
1152 H2CNCN cyanamide, methylene ch2ncn  
1153 HNCCNH Ethenediimine hnccnh  
1154 C3H3N acrylonitrile ch2chcn  
1155 C3H3N+ acrylonitrile cation ch2chcn+  
1156 CH3N3 methyl azide ch3n3  
1157 NH2CCNH2 Diaminoacetylene daa  
1158 NH2CH2CN Aminoacetonitrile aan  
1159 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1160 C2H5CN ethyl cyanide c2h5cn  
1161 CH5N3 Guanidine guanidine  
1162 C4H6 Bicyclo[1.1.0]butane c157335  
1163 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1164 H2NCHCHNH2 diaminoethylene dae  
1165 CH6N3+ guanidinium ch6n3+  
1166 C3H7N Cyclopropylamine cpram  
1167 CH7N3 triaminomethane tam  
1168 C3H7N Azetidine azet  
1169 C4H8 cyclobutane cbutane  
1170 C2H8N2 Ethylenediamine ethdiam  
1171 CH3NHNHCH3 dimethyl hydrazine dmh  
1172 CH3CH(NH2)CH3 2-Propanamine pram2  
1173 N(CH3)3 Trimethylamine trimeam  
1174 NH2CH2CH2CH3 1-Propanamine pram1  
1175 P(CH3)3 trimethylphosphine tmp  
1176 N(SiH3)3 trisilylamine tsa  
1177 As(CH3)3 trimethyl arsine tmas  
1178 (CH3)3NH+ protonated trimethyl amine ptma  
1179 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1180 Li2O2 dilithium dioxide li2o2  
1181 Na2O2 disodium dioxide na2o2  
1182 K2O2 dipotassium dioxide k2o2  
1183 C3O Tricarbon monoxide c3o  
1184 B2O2 Diboron dioxide b2o2  
1185 ONNO NO dimer onno  
1186 S2N2 Disulfur dinitride s2n2  
1187 CO3 Carbon trioxide co3  
1188 CO3-- carbonate co3--  
1189 CS3-- Carbonotrithioate cs3--  
1190 NO3 Nitrogen trioxide no3  
1191 NO3- nitrate anion no3-  
1192 NO3+ nitrogen trioxide cation no3+  
1193 SO3 Sulfur trioxide so3  
1194 SO3-- Sulfate dianion so3--  
1195 SeO3 selenium trioxide seo3  
1196 S4 Sulfur tetramer s4  
1197 TeO3 Tellurium trioxide teo3  
1198 HCO3- bicarbonate anion hco3-  
1199 HNO3 Nitric acid hno3  
1200 HSO3 Hydroxysulfonyl radical hso3  
1201 NH2NO2 nitramide nh2no2  
1202 C2H2CO cyclopropenone c2h2co  
1203 C3H2O Propadienal c3h2o  
1204 HCCCHO 2-propynal hcccho  
1205 C2H2O2 Ethanedial c2h2o2  
1206 C2H2O2+ Ethanedial cation c2h2o2+  
1207 H2CO3 Carbonic acid h2co3  
1208 H2CS3 thiocarbonic acid h2cs3  
1209 H2NO3+ Nitric Acid, Protonated h2no3+  
1210 H2SO3 Sulfurous acid h2so3  
1211 C2H3NO Nitrosoethylene c2h3no  
1212 CH3NCO methylisocyante ch3nco  
1213 HOCH2CN cyanomethanol hoch2cn  
1214 CH3COO- acetate anion ch3coo-  
1215 CH3NO2 Methane, nitro- ch3no2  
1216 CH3ONO Methyl nitrite ch3ono  
1217 NH2COOH Carbamic acid nh2cooh  
1218 H3BO3 Boric acid h3bo3  
1219 H3AlO3 Aluminum hydroxide h3alo3  
1220 H3CO3+ carbonic acid, protonated h3co3+  
1221 C3H4O 2-Propyn-1-ol c107197  
1222 C3H4O allenol c9000071  
1223 C3H4O Cyclopropanone cpone  
1224 C3H4O Methylketene c6004440  
1225 CH2CHCHO Acrolein c3h4o  
1226 NH2CONH2 Urea urea  
1227 NH2CONH2+ Urea cation urea+  
1228 NH2CSNH2 Thiourea thiourea  
1229 C2H4O2 1,3-dioxetane c2h4o2  
1230 CH3COOH Acetic acid ch3cooh  
1231 CH3OCHO methyl formate ch3ocho  
1232 CHOCH2OH hydroxy acetaldehyde haa  
1233 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1234 NH3COOH+ protonated Carbamic acid nh3cooh+  
1235 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1236 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1237 HCOOHH2O Formic acid water dimer hcoohh2o  
1238 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1239 CH3COCH2 Acetonyl radical ch3coch2  
1240 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1241 CH3C(OH)=NH Ethaninidic acid eia  
1242 CH3CHNOH Acetaldoxime acetaldoxime  
1243 CH3CONH2 Acetamide acetamide  
1244 HCONHCH3 N-methylformamide nmfa  
1245 CH3CSNH2 Ethanethioamide ch3csnh2  
1246 CH5N2O+ urea, N-protonated ch4n2o+  
1247 H2NCOHNH2+ urea, protonated ureah+  
1248 C2H5OO ethylperoxy radical c2h5oo  
1249 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1250 C3H5OH Cyclopropanol cproh  
1251 C3H6O 2-Propen-1-ol c107186  
1252 C3H6O Acetone enol enol  
1253 C3H6O Oxetane oxetane  
1254 C3H6O Propylene oxide prox  
1255 CH3CH2CHO Propanal propanal  
1256 CH3COCH3 Acetone acetone  
1257 CH3COCH3- acetone anion ch3coch3-  
1258 C3H6S Thietane thietane  
1259 C3H6S Thiirane, methyl- methiirane  
1260 CH3CSCH3 Thioacetone ch3csch3  
1261 C2H6O2 1,2-Ethanediol ethdiol  
1262 CH3OOCH3 dimethylperoxide dmp  
1263 CH3SOCH3 Dimethyl sulfoxide dmso  
1264 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1265 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1266 CH3COHCH3+ acetone, protonated acetoneh+  
1267 HOCH2CH2NH2 monoethanolamine mea  
1268 C3H7OH 1-Propanol proh  
1269 CH3CHOHCH3 Isopropyl alcohol isoproh  
1270 CH3OC2H5 Ethane, methoxy- etome  
1271 C3H7SH 1-Propanethiol prsh  
1272 CH3CHSHCH3 2-Propanethiol isoprsh  
1273 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1274 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1275 Li2F2 Lithium fluoride dimer li2f2  
1276 Na2F2 Sodium Fluoride Dimer na2f2  
1277 Na2Cl2 Disodium dichloride na2cl2  
1278 C2F2 difluoroacetylene c2f2  
1279 C2Cl2 dichloroacetylene c2cl2  
1280 FNO2 Nitryl fluoride fno2  
1281 FONO Nitrosyl hypofluorite fono  
1282 ClNO2 Nitryl chloride clno2  
1283 ClONO chlorine nitrite clono  
1284 BrONO Bromine nitrite brono  
1285 N2F2 (Z)-Difluorodiazene n2f2_z  
1286 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1287 CF2O Carbonic difluoride f2co  
1288 CF2O+ Carbonic difluoride cation f2co+  
1289 COFCl Carbonic chloride fluoride cofcl  
1290 CCl2O Phosgene cl2co  
1291 Cl2CS Thiophosgene cl2cs  
1292 COBr2 Carbonic dibromide cobr2  
1293 BF3 Borane, trifluoro- bf3  
1294 AlF3 Aluminum trifluoride alf3  
1295 BClF2 Chlorodifluoroborane bclf2  
1296 AlF2Cl Aluminum chloride difluoride alclf2  
1297 ScF3 Scandium trifluoride ScF3  
1298 AlFCl2 Aluminum dichloride fluoride alcl2f  
1299 BCl3 Borane, trichloro- bcl3  
1300 BCl3+ Boron Trichloride cation bcl3+  
1301 GaF3 Gallium trifluoride gaf3  
1302 AlCl3 Aluminum trichloride alcl3  
1303 GaCl3 Gallium trichloride gacl3  
1304 BBr3 Boron tribromide bbr3  
1305 AlBr3 Aluminum Bromide albr3  
1306 ClO3 Chlorine trioxide clo3  
1307 ClO3- chlorate anion clo3-  
1308 BrO3- Bromate anion bro3-  
1309 CF3 Trifluoromethyl radical cf3  
1310 CF3+ Trifluoromethyl cation cf3+  
1311 CF2Cl difluorochloromethyl radical cf2cl  
1312 SiF3 Silicon trifluoride radical sif3  
1313 SiF3+ Silicon trifluoride cation sif3+  
1314 CFCl2 dichlorofluoromethyl radical cfcl2  
1315 CCl3 Trichloromethyl radical ccl3  
1316 SiCl3 trichlorosilyl radical sicl3  
1317 SiCl3+ trichlorosilyl cation sicl3+  
1318 CBr3 tribromomethyl radical cbr3  
1319 FOOF Perfluoroperoxide foof  
1320 ClO2F Chloryl fluoride clo2f  
1321 F2SO Thionyl Fluoride f2so  
1322 ClOOCl Dichlorine dioxide cloocl  
1323 FSSF Difluorodisulfane fssf  
1324 S2F2 Thio-thionyl fluoride s2f2  
1325 SOCl2 thionyl chloride socl2  
1326 SSCl2 Thiothionyl chloride sscl2  
1327 SeOCl2 selenium oxychloride seocl2  
1328 NF3 Nitrogen trifluoride nf3  
1329 PF3 Phosphorus trifluoride pf3  
1330 NCl3 nitrogen trichloride ncl3  
1331 AsF3 Arsenic trifluoride asf3  
1332 PCl3 Phosphorus trichloride pcl3  
1333 SbF3 Antimony Trifluoride sbf3  
1334 AsCl3 Arsenous trichloride ascl3  
1335 SbCl3 Antimony Trichloride sbcl3  
1336 NBr3 Nitrogen Tribromide nbr3  
1337 PBr3 Phosphorus tribromide pbr3  
1338 AsBr3 Arsenic tribromide asbr3  
1339 NI3 Nitrogen triiodide ni3  
1340 PI3 Phosphorus triiodide pi3  
1341 ClSSCl Disulfur dichloride s2cl2  
1342 SF3 Sulfur trifluoride sf3  
1343 ClF3 Chlorine trifluoride clf3  
1344 BrF3 Bromine trifluoride brf3  
1345 IF3 iodone trifluoride if3  
1346 HClO3 Chloric Acid hclo3  
1347 CHF3 Methane, trifluoro- chf3  
1348 CHF2Cl difluorochloromethane chf2cl  
1349 SiHF3 trifluorosilane sihf3  
1350 CHFCl2 fluorodichloromethane chfcl2  
1351 CDCl3 trichloromethane-d cdcl3  
1352 CHCl3 Chloroform chcl3  
1353 CHBrF2 Methane, bromodifluoro- chbrf2  
1354 SiHCl3 Trichlorosilane sihcl3  
1355 CHFClBr fluorochlorobromomethane chfclbr  
1356 CHBrCl2 Methane, bromodichloro- chbrcl2  
1357 CHF2I difluoroiodomethane chf2i  
1358 CHBr2F dibromofluoromethane chbr2f  
1359 CHFClI fluorochloroiodomethane chfcli  
1360 CHCl2I dichloroiodomethane chcl2i  
1361 CHClBr2 Methane, dibromochloro- chclbr2  
1362 CHBr3 bromoform chbr3  
1363 CHI3 Iodoform chi3  
1364 NF3H+ protonated nitrogen trifluoride nf3h+  
1365 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1366 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1367 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1368 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1369 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1370 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1371 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1372 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1373 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1374 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1375 C2H2Br2 1,1-dibromoethene c2h2br2  
1376 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1377 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1378 CH2FCHO Fluoroacetaldehyde ch2fcho  
1379 CH3COF Acetyl fluoride ch3cof  
1380 CH2ClCHO chloroacetaldehyde ch2clcho  
1381 CH3COCl Acetyl Chloride ch3cocl  
1382 C2H4F2 1,2-difluoroethane c2h4f2  
1383 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1384 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1385 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1386 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1387 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1388 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1389 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1390 CH2CFCH3 2-fluoropropene 2fpro  
1391 CH2CHCH2F Allyl Fluoride allylf  
1392 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1393 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1394 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1395 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1396 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1397 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1398 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1399 CH2FCH2CH3 1-Fluoropropane prf1  
1400 CH3CHFCH3 2-Fluoropropane prf2  
1401 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1402 CH3CHClCH3 Propane, 2-chloro- prcl2  
1403 CH3CH2CH2Br n-propyl bromide prbr  
1404 CH3CHBrCH3 i-propyl bromide iprbr  
1405 C3H9O+ trimethyl oxonium cation c3h9o+  
1406 B5H9 pentaborane9 b5h9  
1407 C5H4 pentatetraene ptrene  
1408 C5H5 cyclopentadienyl radical c5h5  
1409 C5H5- cylopentadienyl anion c5h5-  
1410 C5H6 1,3-Cyclopentadiene c542927  
1411 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1412 C5H6 3-Penten-1-yne, (E)- c2004695  
1413 C5H6 3-Penten-1-yne, (Z)- c1574409  
1414 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1415 C5H6 Cyclopropylacetylene c6746947  
1416 C5H6 Propellane propellane  
1417 C5H7 1,3-pentadienyl radical pdyl  
1418 C5H7 cyclopentenyl radical cpyl  
1419 C5H8 1,2-Butadiene, 3-methyl- c598254  
1420 C5H8 1,2-Pentadiene c591957  
1421 C5H8 1,3-Butadiene, 2-methyl- c78795  
1422 C5H8 1,3-Pentadiene, (E)- c2004708  
1423 C5H8 1,3-Pentadiene, (Z)- c1574410  
1424 C5H8 1,4-Pentadiene c591935  
1425 C5H8 1-pentyne a1pentyne  
1426 C5H8 2,3-Pentadiene c591968  
1427 C5H8 Bicyclo[1.1.1]pentane bcp  
1428 C5H8 Cyclobutane, methylene- c1120565  
1429 C5H8 Cyclopentene c142290  
1430 C5H8 Ethenylcyclopropane c693867  
1431 CH3CCCH2CH3 2-Pentyne 2pentyne  
1432 C5H10 1-Butene, 2-methyl- c563462  
1433 C5H10 2-Butene, 2-methyl- c513359  
1434 C5H10 2-Pentene, (E)- c646048  
1435 C5H10 2-Pentene, (Z)- c627203  
1436 C5H10 Cyclopentane c287923  
1437 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1438 CH2CHCH2CH2CH3 1-pentene pentene  
1439 C5H11 2-Methylbut-2-yl radical c4348350  
1440 C5H12 Butane, 2-methyl- buta2  
1441 C5H12 Pentane pentane  
1442 C5H12 Propane, 2,2-dimethyl- neopentane  
1443 Si(CH3)4 tetramethylsilane tms  
1444 N2O3 Dinitrogen trioxide n2o3  
1445 C3H2N2 Malononitrile c3h2n2  
1446 CH2N4 1H-Tetrazole 1htz  
1447 C3H3N2 imidazolyl radical im  
1448 C3H3N2- imidizolyl anion im-  
1449 C2H3N3 1H-1,2,4-Triazole c288880  
1450 C4H4N pyrrolide radical c4h4n  
1451 C4H4N- pyrrolide anion c4h4n-  
1452 C3H4N2 1H-Imidazole 1himidaz  
1453 C3H4N2 1H-Pyrazole 1hpyraz  
1454 C3H4N2 2H-Imidazole imid2h  
1455 C3H4N2 4H-Imidazole imid4h  
1456 C4H5N (E)-2-Butenenitrile c627269  
1457 C4H5N (Z)-2-Butenenitrile c1190767  
1458 C4H5N 2H-pyrrole pyrrole2  
1459 C4H5N 3H-pyrrole pyrrole3  
1460 C4H5N Cyclopropanecarbonitrile c5500210  
1461 C4H5N Pyrrole pyrrole  
1462 CH2CHCH2CN Allylcyanide ch2chch2cn  
1463 C4H6N+ pyrrole, alpha-protonated appyr  
1464 C4H6N+ pyrrole, beta-protonated bppyr  
1465 C4H6N+ pyrrole, protonated ppyr  
1466 C3H6N2 3-Aminopropionitrile c151188  
1467 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1468 CH3CH2CH2CN Butanenitrile c109740  
1469 C5H8 Bicyclo[2.1.0]pentane c185944  
1470 C5H8 Spiropentane c157404  
1471 C4H9N Cyclobutylamine cbam  
1472 C4H9N Pyrrolidine pyrrolidine  
1473 C3H10N2 1,2-Diaminopropane diampr12  
1474 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1475 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1476 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1477 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1478 NH(C2H5)2 diethylamine dea  
1479 NC4H12+ tetramethyl ammonium cation nc4h12+  
1480 C3O2 Carbon suboxide c3o2  
1481 B2O3 diboron trioxide b2o3  
1482 MgCO3 Magnesium Carbonate mgco3  
1483 BeCO3 Beryllium Carbonate beco3  
1484 CaCO3 Calcium Carbonate caco3  
1485 ONONO Nitrosyl nitrite onono  
1486 PO4--- phosphate po4---  
1487 SO4-- sulfate so4--  
1488 HOONO2 peroxy nitric acid hoono2  
1489 HSO4- bisulfate anion hso4-  
1490 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1491 C3H2O2 Propiolic acid c3h2o2  
1492 CHOCOOH oxo acetic acid oaa  
1493 CHOOCHO diformyl ether choocho  
1494 H2SO4 Sulfuric acid h2so4  
1495 H2SeO4 Selenic acid h2seo4  
1496 C3H3NO Isoxazole isox  
1497 C3H3NO Oxazole oxazole  
1498 C3H3NS Thiazole thiazole  
1499 CH3C(O)OO acetyl peroxy radical ch3coo2  
1500 CH3NO3 Methyl nitrate ch3no3  
1501 H3PO4 Phosphoric Acid h3po4  
1502 C4H4O Furan furan  
1503 C4H4O+ Furan cation furan+  
1504 CH3COCCH 3-butyn-2-one c1423605  
1505 C4H4S Thiophene furans  
1506 C4H4Se selenophene c4h4se  
1507 C3H4O2 β–Propiolactone beta  
1508 C3H4O2 2-Propenoic acid propenoic2  
1509 C3H4O2 Methyl glyoxal megly  
1510 C3H4O2 propanedial propanedial  
1511 C3H4O2 propenalol propenalol  
1512 HOCHCCHOH allenediol aldiol  
1513 C2H4O3 1,2,3-trioxolane c2h4o3  
1514 C2H4O3 trioxolane124 triox  
1515 HOCH2COOH Hydroxyacetic acid hac  
1516 CH2CHCONH2 Acrylamide c79061  
1517 CH3OCH2CN Methoxyacetonitrile c1738369  
1518 CH5N3S Hydrazinecarbothioamide c79196  
1519 H2NCH2COOH Glycine glycine  
1520 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1521 C4H6O cis-2-butenal butenal2c  
1522 C4H6O Cyclobutanone cbutone  
1523 C4H6O Furan, 2,3-dihydro- furan23h  
1524 C4H6O Furan, 2,5-dihydro- furan25h  
1525 CH2CHOCHCH2 Vinyl ether vinylether  
1526 CHOCHCHCH3 2-Butenal butenal2  
1527 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1528 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1529 CH2CHSCHCH2 Divinyl sulfide divis  
1530 C2H6N2O Urea, methyl- c598505  
1531 C3H6O2 1,3-Dioxolane dioxolane  
1532 CH3CH2COOH Propanoic Acid propanoic  
1533 CH3COOCH3 methyl acetate aame  
1534 HCOOC2H5 Ethyl formate faee  
1535 C2H6O2S Dimethyl sulfone c67710  
1536 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1537 C3H7NO dimethylformamide dmf  
1538 C3H7NO Propanamide propanam  
1539 C2H3OC2H5 Ethene, ethoxy- c109922  
1540 C4H8O Cyclobutanol c2919235  
1541 C4H8O Furan, tetrahydro- thf  
1542 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1543 CH3COCH2CH3 2-Butanone buta2one  
1544 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1545 CHOCH2CH2CH3 Butanal butanal  
1546 C4H8S Thiophene, tetrahydro- tht  
1547 C3H8O2 1,3-Propanediol c504632  
1548 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1549 C3H8O2 Methane, dimethoxy- c109875  
1550 C3H8O2 Propylene glycol c57556  
1551 C3H8S2 1,3-Propanedithiol c109808  
1552 C4H10O 1-Butanol butanol1  
1553 C4H10O 1-Propanol, 2-methyl- c78831  
1554 C4H10O 2-Butanol, (.+/-.)- butanol2  
1555 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1556 C4H10O Ethoxy ethane etoet  
1557 C4H10O Methyl propyl ether meopr  
1558 C4H10O Propane, 2-methoxy- c598538  
1559 C4H10O+ 1-Butanol cation butanol1+  
1560 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1561 C2H5SC2H5 Diethyl sulfide etset  
1562 C4H9SH 1-Butanethiol bush  
1563 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1564 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1565 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1566 FNO3 Fluorine nitrate fno3  
1567 ClONO2 Chlorine nitrate clono2  
1568 BrONO2 Bromine nitrate brono2  
1569 TiCl4 Titanium tetrachloride ticl4  
1570 ClO4- perchlorate anion clo4-  
1571 BF4- tetrafluoroboron anion bf4-  
1572 ClFO3 Perchloryl fluoride clfo3  
1573 SO2F2 Sulfuryl fluoride so2f2  
1574 SO2Cl2 Sulfuryl chloride so2cl2  
1575 F3NO Nitrogen trifluoride oxide f3no  
1576 F3PO Phosphoryl fluoride pf3o  
1577 Cl3PO Phosphoryl chloride pcl3o  
1578 CF4 Carbon tetrafluoride cf4  
1579 CF3Cl Methane, chlorotrifluoro- cf3cl  
1580 SiF4 Silicon tetrafluoride sif4  
1581 CF2Cl2 difluorodichloromethane cf2cl2  
1582 TiF4 Titanium tetrafluoride tif4  
1583 CFCl3 Trichloromonofluoromethane cfcl3  
1584 CF3Br Bromotrifluoromethane cf3br  
1585 GeF4 Germanium tetrafluoride gef4  
1586 CCl4 Carbon tetrachloride ccl4  
1587 CCl4+ Carbon tetrachloride cation ccl4+  
1588 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1589 SiCl4 Silane, tetrachloro- sicl4  
1590 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1591 CF3I trifluoroiodomethane cf3i  
1592 CBrCl3 Methane, bromotrichloro- cbrcl3  
1593 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1594 GeCl4 Germanium Tetrachloride gecl4  
1595 CBr2ClF dibromochlorofluoromethane cbr2clf  
1596 CBr2Cl2 dibromodichloromethane cbr2cl2  
1597 CCl3I trichloroiodomethane ccl3i  
1598 CFBr3 fluorotribromomethane cfbr3  
1599 CFClBrI fluorochlorobromoiodomethane cfclbri  
1600 CBr3Cl tribromochloromethane cbr3cl  
1601 CF2I2 difluorodiiodomethane cf2i2  
1602 CBr4 Carbon tetrabromide cbr4  
1603 CCl2I2 dichlorodiiodomethane ccl2i2  
1604 SiBr4 Silicon tetrabromide sibr4  
1605 CBr3I tribromoiododmethane cbr3i  
1606 GeBr4 Germanium tetrabromide gebr4  
1607 CI4 tetraiodomethane ci4  
1608 SiI4 silicon tetraiodide sii4  
1609 ClOF3 Chlorine trifluoride oxide clof3  
1610 SF4 Sulfur tetrafluoride sf4  
1611 SeF4 Selenium tetrafluoride sef4  
1612 SCl4 Sulfur tetrachloride scl4  
1613 C2HF3 Trifluoroethylene c2hf3  
1614 C2HF3+ Trifluoroethylene cation c2hf3+  
1615 CHClCCl2 Trichloroethylene chclccl2  
1616 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1617 HClO4 perchloric acid hclo4  
1618 HSO3F Fluorosulfonic acid hso3f  
1619 CF3OH trifluoromethanol cf3oh  
1620 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1621 CHClCCHCl 1,3-dichloroallene chclcchcl  
1622 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1623 CHCl2CHO dichloroacetaldehyde chcl2cho  
1624 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1625 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1626 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1627 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1628 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1629 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1630 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1631 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1632 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1633 NH3BCl3 Amminetrichloroboron nh3bcl3  
1634 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1635 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1636 C3H5ClO Oxirane, (chloromethyl)- c106898  
1637 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1638 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1639 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1640 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1641 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1642 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1643 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1644 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1645 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1646 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1647 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1648 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1649 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1650 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1651 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1652 C4H9F 1-fluorobutane butaf1  
1653 CH3CHFCH2CH3 2-fluorobutane butaf2  
1654 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1655 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1656 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1657 XeF4 Xenon tetrafluoride xef4  
1658 C2H2N2O Furazan furazan  
1659 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1660 NH3BF3 Amminetrifluoroboron nh3bf3  
1661 C6H2 hexatriyne c6h2  
1662 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1663 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1664 C6H4 Benzyne benzyne  
1665 C6H5 phenyl phenyl  
1666 C6H5- phenyl anion phenyl-  
1667 C6H6 Prismane prismane  
1668 C6H6 1,2,4,5-Hexatetraene ht1245  
1669 C6H6 2,4-Hexadiyne hexadiyne  
1670 C6H6 3,4-Dimethylenecyclobutene cb34m  
1671 C6H6 Benzene benzene  
1672 C6H6 Benzvalene bv  
1673 C6H6 Dewar Benzene dewar  
1674 C6H6 Hexa-1,5-diene-3-yne hdy153  
1675 C6H6 Trimethylenecycopropane tmcp  
1676 C6H6+ Benzene cation c6h6+  
1677 C6H7+ benzene, protonated c6h7+  
1678 C6H8 (E)-hexa-1,3,5-triene c821078  
1679 C6H8 (E)-hexa-2,3,4-triene c59660650  
1680 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1681 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1682 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1683 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1684 C6H8 3-Methylenecyclopentene c930267  
1685 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1686 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1687 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1688 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1689 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1690 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1691 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1692 C6H10 1,5-Hexadiene c592427  
1693 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1694 C6H10 1-Hexyne hexyne1  
1695 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1696 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1697 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1698 C6H10 2-Hexyne c764352  
1699 C6H10 3-Hexyne hexyne3  
1700 C6H10 cyclohexene cyclohexene  
1701 C6H10 Cyclopentene, 1-methyl- c693890  
1702 C6H10 Cyclopentene, 3-methyl- c1120623  
1703 C6H10 Cyclopentene, 4-methyl- c1759815  
1704 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1705 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1706 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1707 C6H12 (E)-2-Hexene e2hexene  
1708 C6H12 (E)-3-methylpent-2-ene c616126  
1709 C6H12 (E)-hex-3-ene e3hexene  
1710 C6H12 (Z)-3-methylpent-2-ene c922623  
1711 C6H12 (Z)-hex-2-ene z2hexene  
1712 C6H12 (Z)-hex-3-ene z3hexene  
1713 C6H12 2,3-dimethylbut-1-ene c563780  
1714 C6H12 2,3-dimethyl-but-2-ene tmeet  
1715 C6H12 3-methylenepentane c760214  
1716 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1717 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1718 C6H12 Cyclohexane cyclohexane  
1719 C6H12 Cyclopentane, methyl- c96377  
1720 C6H12 Ethylcyclobutane c4806615  
1721 C6H12 hex-1-ene hexene1  
1722 C6H14 Butane, 2,2-dimethyl- buta22  
1723 C6H14 Butane, 2,3-dimethyl- buta23  
1724 C6H14 Hexane hexane  
1725 C6H14 Pentane, 2-methyl- penta2  
1726 C6H14 Pentane, 3-methyl- penta3  
1727 C4N2 2-Butynedinitrile c4n2  
1728 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1729 C4H2N2 Fumaronitrile c4h2n2  
1730 C2H2N4 sym-tetrazine ttz  
1731 C3H3N3 1,3,5-Triazine triazine135  
1732 CH3N5 5-Aminotetrazole c4418615  
1733 C4H4N2 1,3-Diazine diazine13  
1734 C4H4N2 Pyrazine pyrazine  
1735 C4H4N2 Pyridazine pyridazine  
1736 C4H4N2 Succinonitrile c110612  
1737 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1738 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1739 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1740 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1741 C5H5N E-2,4-pentadienenitrile bdcn  
1742 C5H5N Pyridine pyridine  
1743 B3N3H6 borazine borazine  
1744 C6H6 Fulvene fulvene  
1745 C5H6N+ Pyridinium c5h6n  
1746 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1747 C5H7N (E)-2-Pentenenitrile c26294984  
1748 C5H7N (E)-3-Pentenenitrile c16529661  
1749 C5H7N (Z)-2-Pentenenitrile c25899507  
1750 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1751 C5H7N Cyclobutanecarbonitrile c4426113  
1752 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1753 C5H9N Butanenitrile, 2-methyl- c18936179  
1754 C5H9N Pentanenitrile c110598  
1755 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1756 C6H10 Bicyclo[3.1.0]hexane c285585  
1757 C5H11N Cyclopentanamine cypentam  
1758 C5H11N Piperidine piper  
1759 C4H12N2 1,2-Butanediamine c4426486  
1760 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1761 Li2CO3 Lithium Carbonate li2co3  
1762 Na2CO3 Sodium Carbonate na2co3  
1763 C2O4-- oxalate anion c2o4  
1764 MgSO4 Magnesium Sulfate mgso4  
1765 N2O4 Dinitrogen tetroxide n2o4  
1766 C3H2O3 vinylene carbonate vica  
1767 C2H2O4 Oxalic Acid oxalic  
1768 C2H3NO3 Oxamic acid oxamic  
1769 C4H4O2 2(5H)-Furanone furanone  
1770 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1771 C2H4N2O2 Oxalamide oxalamide  
1772 C2H4N2S2 Ethanedithioamide c79403  
1773 C2H4CO3 Ethylene carbonate etco3  
1774 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1775 C3H4S3 1,3-Dithiolane-2-thione c822388  
1776 C2H4O4 Formic acid dimer fadimer  
1777 C4H5NO 3-Methylisoxazole isox3m  
1778 C4H5NO Isoxazole, 5-methyl- c5765446  
1779 C4H5NS 4-Methylthiazole c693958  
1780 C2H5NO3 Nitric acid, ethyl ester c625581  
1781 C5H6O 2H-Pyran pyran2  
1782 C5H6O 2-methylfuran furan2m  
1783 C5H6O 3-Methylfuran furan3m  
1784 C5H6O Pentadienal pdal  
1785 C5H6S Thiophene, 2-methyl- c554143  
1786 C5H6S Thiophene, 3-methyl- c616444  
1787 C4H6O2 γ–Butyrolactone c96480  
1788 C4H6O2 2,3-Butanedione c431038  
1789 C4H6O2 2-Propenoic acid, methyl ester c96333  
1790 C4H6O2 Crotonic Acid crot  
1791 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1792 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1793 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1794 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1795 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1796 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1797 C4H6OS Vinyl sulfoxide c1115157  
1798 CH6N4S Carbonothioic dihydrazide thiacarb  
1799 C2H6N2O2 (E)-Azodioxymethane c37765154  
1800 C2H6N2O2 Dimethylnitroamine c4164287  
1801 C3H6O3 1,3,5-Trioxane trioxane  
1802 C3H6S3 1,3,5-Trithiane c3h6s3  
1803 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1804 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1805 C4H7NO 2-Pyrrolidinone c616455  
1806 C4H7NO Ethoxyacetonitrile etoaccn  
1807 C4H7NO Methacrylamide c79390  
1808 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1809 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1810 C3H7ONO Propyl nitrite prono  
1811 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1812 CH3CH(NH2)COOH Alanine alanine  
1813 CH3NHCH2COOH Sarcosine sarcosine  
1814 NH2CH2CH2COOH β–alanine betaalanine  
1815 NH2COOC2H5 Urethane urethane  
1816 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1817 C5H8O Cyclopentanone c120923  
1818 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1819 C5H8O Methyl cyclopropyl ketone c765435  
1820 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1821 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1822 NH2CONHC2H5 Urea, ethyl- c625525  
1823 C4H8O2 1,3-Dioxane dioxan13  
1824 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1825 C4H8O2 1,4-Dioxane dioxan14  
1826 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1827 C4H8O2 Ethyl acetate c141786  
1828 C4H8OS s-Ethyl thioacetate c625605  
1829 C3H8O3 1,2,3-Propanetriol glycerin  
1830 C3H8O2S (Methylsulfonyl)ethane c594434  
1831 C4H9NO Butanamide c541355  
1832 C4H9NO Propanamide, 2-methyl- c563837  
1833 C5H10O 2-Butanone, 3-methyl- c563804  
1834 C5H10O 2H-Pyran, tetrahydro- c142687  
1835 C5H10O 2-methylbutyraldehyde 2meba  
1836 C5H10O 2-Pentanone mpk  
1837 C5H10O 3-Pentanone dek  
1838 C5H10O Cyclopentanol c96413  
1839 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1840 C5H10O Pentanal pal  
1841 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1842 C5H10S 3-Ethylthio-1-propene c5296628  
1843 C5H10S Cyclopentanethiol c1679078  
1844 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1845 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1846 C4H10O2 1,1-Dimethoxyethane c534156  
1847 C4H10O2 1,3-Butanediol budiol13  
1848 C4H10O2 1,4-Butanediol budiol14  
1849 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1850 C4H10OS Diethyl sulfoxide c70291  
1851 C4H10S2 1,4-Butanedithiol budisl14  
1852 C4H11NO Diethylhydroxylamine c3710847  
1853 C5H12O 1-Butanol, 2-methyl- c137326  
1854 C5H12O 1-Butanol, 3-methyl- c123513  
1855 C5H12O 1-Pentanol pentanol1  
1856 C5H12O 2-Butanol, 3-methyl- c598754  
1857 C5H12O 2-Pentanol peol2  
1858 C5H12O 3-Pentanol pentan3ol  
1859 C5H12O Butane, 1-methoxy- meobu  
1860 C5H12O Propane, 1-ethoxy- proet  
1861 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1862 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1863 C5H12S 1-Butanethiol, 3-methyl- c541311  
1864 C5H12S 1-Pentanethiol c110667  
1865 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1866 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1867 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1868 C5H12S Butane, 1-(methylthio)- c628295  
1869 C5H12S Ethyl propyl sulfide c4110503  
1870 C5H12S Propane, 2-(ethylthio)- c5145993  
1871 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1872 C4F2 difluorobutadiyne c4f2  
1873 ClCOClCO Oxalyl chloride oxcl  
1874 CF3CN Acetonitrile, trifluoro- cf3cn  
1875 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1876 B2F4 Diboron tetrafluoride b2f4  
1877 B2Cl4 Diboron tetrachloride b2cl4  
1878 C2F4 Tetrafluoroethylene c2f4  
1879 C2F4+ Tetrafluoroethylene cation c2f4+  
1880 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1881 CF2CCl2 difluorodichloroethylene cf2ccl2  
1882 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1883 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1884 C2FCl3 fluorotrichloroethene c2fcl3  
1885 C2Cl4 Tetrachloroethylene c2cl4  
1886 C2Br4 tetrabromoethene c2br4  
1887 CF3OF Trifluoromethylhypofluorite cf3of  
1888 SiF5- silicon pentafluoride anion sif5-  
1889 SOF4 Sulfur tetrafluoride oxide sof4  
1890 PF5 Phosphorus pentafluoride pf5  
1891 AsF5 Arsenic pentafluoride asf5  
1892 PCl5 Phosphorus pentachloride pcl5  
1893 SF5 Sulfur pentafluoride sf5  
1894 SF5+ pentafluoro sulfur cation sf5+  
1895 SbCl5 Antimony pentachloride sbcl5  
1896 BrF5 bromine pentafluoride brf5  
1897 ClF5 chlorinepentafluoride clf5  
1898 IF5 pentafluoroiodine if5  
1899 CF3CHO trifluoroacetaldehyde cf3cho  
1900 CCl3CHO trichloroacetaldehyde ccl3cho  
1901 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1902 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1903 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1904 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1905 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1906 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1907 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1908 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1909 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1910 CF3COOH trifluoroacetic acid cf3cooh  
1911 C4H3ClO Furan, 2-chloro fur2cl  
1912 C4H3ClO Furan,3-chloro fur3cl  
1913 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1914 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1915 C4H8Cl2 1,4-Dichlorobutane c110565  
1916 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1917 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1918 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1919 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1920 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1921 C5H11Cl Pentane, 1-chloro- pencl1  
1922 C4H8O2 Butanoic acid bua  
1923 C6H5CH2 benzyl radical benzyl  
1924 C7H7 cycloheptatrienyl radical c7h7  
1925 C7H7+ cycloheptatrienyl cation c7h7+  
1926 C6H5CH3 toluene toluene  
1927 C7H8 cycloheptatriene cht  
1928 C7H8 Norbornadiene norbor  
1929 C7H8 Quadricyclane qucy  
1930 C7H12 Norbornane nor  
1931 C7H14 cycloheptane c7h14  
1932 C7H16 2-methylhexane 2mhex  
1933 C7H16 3-methylhexane hex3m  
1934 C7H16 heptane heptane  
1935 CH(CN)3 tricyanomethane mecn3  
1936 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1937 C6H7N 2-Methylpyridine mp  
1938 C6H5NH2 aniline aniline  
1939 C6H13N 2-Methylpiperidine pip2m  
1940 C6H13N cyclohexanamine cham  
1941 C6H15N triethylamine tea  
1942 N2O5 Dinitrogen pentoxide n2o5  
1943 C4H2O3 Maleic Anhydride malan  
1944 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1945 C5H4O2 furfural furfural  
1946 C6H5O phenoxy radical phenoxy  
1947 C5H5NO 2(1H)-Pyridinone c72762006  
1948 C5H5NO 2(3H)-Pyridinone c9000048  
1949 C5H5NO 2(5H)-Pyridinone c9000037  
1950 C5H5NO 2-Pyridinol c109104  
1951 C5H5NO 3(2H)-Pyridinone c9000004  
1952 C5H5NO 3(4H)-Pyridinone c9000026  
1953 C5H5NO 3(6H)-Pyridinone c9000015  
1954 C5H5NO 3-Pyridinol c109002  
1955 C5H5NO 4(1H)-Pryidinone c9000060  
1956 C5H5NO 4(3H)-Pryidinone c9000059  
1957 C5H5NO 4-Pyridinol c626642  
1958 C6H5OH phenol phenol  
1959 C6H6O 2,4-Cyclohexadienone c24599573  
1960 C6H6O 2,5-Cyclohexadienone c5664335  
1961 C6H5SH Benzenethiol phsh  
1962 HO2CCHNH2CH2OH Serine serine  
1963 C5H8O2 Acetylacetone acac  
1964 C4H8O2S Sulfolane sulfolane  
1965 C7H10 Norbornene norbornene  
1966 CH(C2H3)3 trivinyl methane tvm  
1967 C6H10O cyclohexanone chexo  
1968 C6H12O hexanal c6h12o  
1969 C6H12O Oxepane oxepane  
1970 C3H7OC3H7 di-n-propyl ether propr  
1971 F2CCCF2 tetrafluoroallene pfa  
1972 CF3COO- trifluoro acetate anion cf3coo-  
1973 CF3COF trifluoroacetyl fluoride cf3cof  
1974 CF3COCl trifluoroacetyl chloride cf3cocl  
1975 PF6 Hexafluorophosphate neutral pf6  
1976 PF6- Hexafluorophosphate ion pf6-  
1977 SF6 Sulfur Hexafluoride sf6  
1978 SeF6 Selenium hexafluoride sef6  
1979 SF5Cl sulfur chloropentafluoride sf5cl  
1980 CF3CHF2 pentafluoroethane cf3chf2  
1981 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1982 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1983 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1984 CCl3CHCl2 pentachloroethane ccl3chcl2  
1985 C6H5F Fluorobenzene bzf  
1986 C6H5Cl chlorobenzene bzcl  
1987 C6H5Br bromobenzene bzbr  
1988 C8H6 Calicene calicene  
1989 C6H5CCH phenylacetylene phac  
1990 C8H6 benzocyclobutadiene bcbd  
1991 C8H6 Pentalene pentalene  
1992 C6H5CHCH2 Styrene styrene  
1993 C8H8 cubane cubane  
1994 C8H8 cyclooctatetraene cot  
1995 C6H5CH2CH3 Ethylbenzene etbz  
1996 CH3C6H4CH3 meta-xylene mxylene  
1997 CH3C6H4CH3 paraxylene pxylene  
1998 C8H14 Bicyclo[2.2.2]octane bico222  
1999 C8H16 cyclooctane cyclooct  
2000 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2001 C8H18 Octane c8h18  
2002 C6H5CN phenyl cyanide phcn  
2003 C6H12N2 Triethylenediamine ted  
2004 C4O4-- squarate dianion c4o4--  
2005 S4N4 Tetrasulfur tetranitride s4n4  
2006 S8 Octasulfur s8  
2007 C6H4O2 parabenzoquinone pbq  
2008 C4H4N2O2 Uracil uracil  
2009 C6H5CHO benzaldehyde benzal  
2010 C6H5OCH3 Anisole anisole  
2011 C5H9NO2 Proline proline  
2012 C6H12O2 Methyl pivalate c598981  
2013 C6H12O2 Hexanoic acid hexa  
2014 C4F4 tetrafluorcyclobutadiene c4f4  
2015 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2016 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2017 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2018 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2019 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2020 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2021 C2F6 hexafluoroethane c2f6  
2022 C2Cl6 hexachloroethane c2cl6  
2023 IF7 Iodine heptafluoride if7  
2024 C6H4F2 metadifluorobenzene mdfb  
2025 C6H4F2 orthodifluorobenzene odfb  
2026 C6H4F2 1,4-difluorobenzene pdfb  
2027 C6H4Cl2 1,2-dichlorobenzene dcb12  
2028 C6H4Cl2 1,3-dichlorobenzene dcb13  
2029 C6H4Cl2 1,4-dichlorobenzene dcb14  
2030 C6H5NO nitrosobenzene bzno  
2031 C9H8 Indene indene  
2032 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2033 C9H12 n-propyl benzene prbz  
2034 C9H20 Nonane nonane  
2035 C(CN)4 tetracyanomethane c5n4  
2036 C5H4N4 purine purine  
2037 C8H7N Indole indole  
2038 C3H3N3O3 cyanuric acid cyanuric  
2039 C6H5NO2 Nitrobenzene c6h5no2  
2040 C6H5COOH benzoic acid benzo  
2041 CH3COC6H5 acetophenone acph  
2042 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2043 C3F6 hexafluoropropene c3f6  
2044 C6H3F3 Benzene trifluoride 123 bzf3a  
2045 C8H18O 1-Octanol octanol  
2046 C10H8 Azulene azu  
2047 C10H8 naphthalene naph  
2048 C10H10 bullvalene bullv  
2049 C10H16 adamantane adamantane  
2050 C6N4 Tetracyanoethylene tcne  
2051 C6N4- tetracyanoethylene anion tcne-  
2052 C10H22 Decane decane  
2053 C4F6 perfluorobutadiene c4f6  
2054 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2055 C3F8 perfluoropropane c3f8  
2056 Fe(CO)5 Iron pentacarbonyl ipc  
2057 Fe(C5H5)2 ferrocene fecp2  
2058 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2059 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2060 C12H8 Acenaphthylene acenaph  
2061 C12H8 biphenylene biph  
2062 C12H10 biphenyl biphenyl  
2063 C12H10 Heptalene heptalene  
2064 C6H12O6 Inositol inositol  
2065 C6F6 hexafluorobenzene c6f6  
2066 S2F10 disulphur decafluoride s2f10  
2067 C13H10 Fluorene fluorene  
2068 C14H10 Anthracene anth  
2069 C14H10 Phenanthrene phenanthrene  
2070 C14H14 Bibenzyl bibenzyl  
2071 C12H10N2 azobenzene azobenzene  
2072 C6H5COC6H5 benzophenone benzophenone  
2073 C16H10 Pyrene pyrene  
2074 C18H12 Tetracene tetracene  
2075 C19H16 Triphenylmethane tpm  
2076 C24H12 Coronene coronene  
2077 C60 Buckminsterfullerene c60