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 MP3 /daug-cc-pVTZ

Jump to calculations not yet done
count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 H- Hydrogen atom anion 2SKh
3 H2 Hydrogen diatomic 1ΣgD∞h
4 H2- hydrogen diatomic anion 2Σu+D∞h
5 He Helium atom 1SKh
6 He Helium atom   
7 He+ Helium atom cation 2SKh
8 Li- Lithium atom anion 1SKh
9 LiH Lithium Hydride 1ΣC∞v
10 MgH magnesium monohydride 2ΣC∞v
11 ZnH+ Zinc, protonated   
12 Al- Aluminum atom anion 3PKh
13 AlH3- aluminum trihydride anion  C3v
14 C Carbon atom 3P0Kh
15 Si- Silicon atom anion 4SKh
16 CH2- methylene anion 2B1C2v
17 CH3- methyl anion 1A1C3v
18 CH4 Methane 1A1Td
19 SiH2D2 silane-d2   
20 SiH5+ Silane, protonated   
21 N Nitrogen atom 4SKh
22 As Arsenic atomic 4SKh
23 As- Arsenic anion 3PKh
24 As+ Arsenic cation 3PKh
25 PH phosphorus monohydride 3Σ-C∞v
26 NH2 Amino radical 2B1C2v
27 NH3 Ammonia 1A1C3v
28 PH3+ Phosphine cation 2A1C3v
29 NH4 Ammonium radical   
30 PH4 Phosphoranyl radical   
31 O Oxygen atom 3SKh
32 S Sulfur atom 3PKh
33 S Sulfur atom   
34 S- Sulfur atom anion 2PKh
35 Se Selenium atom 3PKh
36 Se- Selenium atom anion 2PKh
37 Se+ Selenium atom cation 4SKh
38 OH Hydroxyl radical 2ΠC∞v
39 OH- hydroxide anion 1ΣC∞v
40 OH+ hydoxyl cation 3ΣC∞v
41 HSe Selenium monohydride 2ΠC∞v
42 HSe- selenium monohydride anion 1ΣC∞v
43 HSe+ selenium monohydride cation 3ΣC∞v
44 H2O Water 1A1C2v
45 H2O- water anion 2A1C2v
46 H2O- water anion 2A'Cs
47 H2S Hydrogen sulfide 1A1C2v
48 H2Se Hydrogen selenide 1A1C2v
49 H2Se+ Hydrogen selenide cation 2B1C2v
50 H3Se+ Hydrogen Selenide, protonated 1A1C3v
51 F Fluorine atom 2PKh
52 F- Fluorine atom anion 1SKh
53 Cl Chlorine atom 2PKh
54 Cl- Chlorine atom anion 1SKh
55 Br Bromine atom 2PKh
56 Br- Bromine atom anion 1SKh
57 Br+ Bromine atom cation 3PKh
58 HCl Hydrogen chloride 1ΣC∞v
59 HBr hydrogen bromide 1ΣC∞v
60 HBr- hydrogen bromide anion 2ΣC∞v
61 HBr+ hydrogen bromide cation 2ΠC∞v
62 H2Br+ protonated hydrogen bromide 2A1C2v
63 Ne Neon atom   
64 HeLi+ Helium Lithium cation   
65 ArH+ Argon hydride cation 1ΣC∞v
66 Na2- sodium diatomic anion 2ΣuD∞h
67 LiAl Lithium Aluminum   
68 HBBH Diborane(2) 3ΣGD∞h
69 B2H4 Diborane(4) D2d 1A1D2d
70 B2H6 Diborane 1AgD2h
71 B2H6+ Diborane cation   
72 SiGe Silicon Germanium   
73 C2H- Ethynyl anion 1ΣC∞v
74 C2H2+ acetylene cation 2ΠuD∞h
75 C2H2+ acetylene cation   
76 CH3Li methyl lithium 1A1C3v
77 C2H3+ vinyl cation 1A1C2V bridging H
78 C2H3+ vinyl cation 1A1C2V HCCH2
79 C2H4 Ethylene 1AgD2h
80 Si2H4 Disilene   
81 C2H6 Ethane 1A1gD3d
82 Si2H6 disilane 1EuD3d
83 LiP Lithium monophosphide   
84 LiP Lithium monophosphide   
85 MgN Magnesium Nitride   
86 CN Cyano radical 2ΣC∞v
87 SiP Silicon monophosphide 2ΠC∞v
88 N2 Nitrogen diatomic 1ΣgD∞h
89 N2- nitrogen diatomic anion 2ΠgD∞h
90 HCN Hydrogen cyanide 1ΣC∞v
91 HNC+ hydrogen isocyanide cation   
92 NNH+ Dinitrogen monohydride cation 1ΣC∞v
93 LiNH2 lithium amide   
94 CH2NH Methanimine 1A'Cs
95 CH2NH+ Methanimine cation   
96 CHNH2 aminomethylene   
97 CHNH2+ Aminocarbene cation   
98 BH2NH2 Boranamine   
99 SiH3NH2 Silane, amino   
100 BH3PH3 borane phosphine   
101 CO Carbon monoxide 1ΣC∞v
102 CO- carbon monoxide anion 2ΠC∞v
103 CO+ carbon monoxide cation 2ΣC∞v
104 SiSe Silicon Monoselenide   
105 SiSe+ Silicon Monoselenide cation   
106 NO Nitric oxide 2ΠC∞v
107 NO- nitric oxide anion 3ΣC∞v
108 PS phosphorus sulfide 2ΣC∞v
109 O2 Oxygen diatomic 3ΣgD∞h
110 O2- oxygen diatomic anion 2ΠD∞h
111 SO+ sulfur monoxide cation 2ΠC∞v
112 S2 Sulfur diatomic 3ΣgD∞h
113 SeO Selenium monoxide 3ΣC∞v
114 BeOH beryllium monohydroxide 2A'Cs
115 COH Hydroxymethylidyne   
116 HNO+ Nitrosyl hydride cation 2A'Cs
117 HSO+ Sulfur Monoxide, S-protonated   
118 SOH Sulfur Hydroxide   
119 SOH+ Sulfur Monoxide, protonated   
120 H2CO Formaldehyde 1A1C2v
121 H2CO- formaldehyde anion 2A'Cs
122 H2CO- formaldehyde anion   
123 H2CO+ formaldehyde cation 2B2C2v
124 H2CS Thioformaldehyde 1A1C2v
125 H2O2 Hydrogen peroxide 1AC2
126 H2OO water oxide   
127 HOSH hydrogen thioperoxide   
128 NH2OH+ Hydroxylamine cation   
129 CH3OH Methyl alcohol 1A'Cs
130 CH3OH+ Methyl alcohol cation 2A"Cs
131 SiH3OH silanol   
132 NH2OH2+ protonated hydroxylamine   
133 NH3OH+ N-protonated hydroxylamine   
134 LiF lithium fluoride 1ΣC∞v
135 LiCl lithium chloride 1ΣC∞v
136 NaF+ sodium fluoride cation 2ΣC∞v
137 LiBr Lithium Bromide 1ΣC∞v
138 LiF+ lithium fluoride cation 2ΠC∞v
139 AlBr Aluminum monobromide   
140 GeCl+ Germanium monochloride cation   
141 SiBr+ Silicon monobromide cation   
142 PBr Phosphorus monobromide   
143 BrCl Bromine monochloride 1ΣC∞v
144 F2 Fluorine diatomic 1ΣgD∞h
145 F2- flourine diatomic anion 2ΣuD∞h
146 F2+ flourine diatomic cation 2ΠgD∞h
147 ClF+ clorine monofluoride cation 2ΠC∞v
148 Cl2 Chlorine diatomic 1ΣgD∞h
149 Cl2+ chlorine diatomic cation 2ΠgD∞h
150 BrF Bromine monofluoride 1ΣC∞v
151 Br2 Bromine diatomic 1ΣgD∞h
152 Br2- bromine diatomic anion 2ΣuD∞h
153 Br2+ bromine diatomic cation 2ΠgD∞h
154 HCF Fluoromethylene 1A'Cs
155 HCF Fluoromethylene 3A"Cs
156 HOCl hypochlorous acid 1A'Cs
157 HOCl+ hypochlorous acid cation   
158 ClFH+ Chlorine fluoride, F-protonated   
159 FClH+ Chlorine fluoride, Cl-protonated   
160 CH2Br bromomethyl radical   
161 CH2F+ fluoromethyl cation   
162 CH2Cl+ chloromethyl cation   
163 CH2Cl chloromethyl radical 2A'Cs
164 CH2Cl chloromethyl radical 2B1C2v
165 NH2Cl chloramine 1A'Cs
166 CH3F+ methyl fluoride cation   
167 CH3F Methyl fluoride 1A1C3v
168 CH3Cl Methyl chloride 1A1C3v
169 CH3Cl+ Methyl chloride cation   
170 SiH3Cl chlorosilane 1A1C1
171 CH3Br methyl bromide 1A1C3v
172 NH3Cl+ protonated monochloroammonia   
173 NH4Cl Ammonium chloride   
174 C3H4 cyclopropene 1A1C2v
175 CH3CCH propyne 1A'C3v
176 CH2CHCH3 Propene 1A'Cs
177 C3H7 n-Propyl radical 2A"C1
178 Si3H8 trisilane   
179 HN3+ Hydrazoic acid cation   
180 HNCNH diiminomethane 1AC2
181 HNNNH+ 1,2-Triazadienium   
182 NH2NN+ hydrazoic acid, protonated   
183 CH3CN Acetonitrile 1A1C3v
184 CH3CN- acetonitrile anion 2EC3v
185 CH3CN- acetonitrile anion 2A'Cs
186 HCNCH2+ 2H-Azirine cation   
187 NH2CNH+ cyanamide, cn protonated   
188 NH3CN+ cyanamide, amine protonated   
189 Na2S Sodium sulfide   
190 Na2S Sodium sulfide   
191 NaO2 Sodium superoxide   
192 CO2 Carbon dioxide 1ΣgD∞h
193 OCS Carbonyl sulfide 1ΣC∞v
194 CS2 Carbon disulfide 1ΣgD∞h
195 OCSe Carbonyl selenide 1ΣC∞v
196 SCSe Carbon sulfide selenide   
197 NSO sulfinyl amidogen   
198 SNO Nitrogen oxide sulfide   
199 S3 Sulfur trimer 1A1C2v
200 SeO2 Selenium dioxide 1A1C2v
201 HCCO ketenyl radical 2ΠC∞v
202 HCCO ketenyl radical 2A"Cs
203 HOCO Hydrocarboxyl radical 1A'cis
204 HOCO Hydrocarboxyl radical 1A'trans
205 O3H+ protonated ozone 1A'Cs
206 O3H+ protonated ozone   
207 C2H2O Oxirene 1A1C2v
208 CH2CO Ketene 1A1C2v
209 CH2CS Thioketene   
210 HCOOH Formic acid   
211 NHCHSH Methanimidothioic acid   
212 C2H4O Ethylene oxide 1A1C2v
213 C2H4O+ ethylene oxide cation   
214 CH3CHO Acetaldehyde 1A'Cs
215 CH3CHO+ acetaldehyde cation   
216 H2COCH2+ Methyl, (methyleneoxoniumyl)-   
217 C2H4S Thiirane 1A1C2v
218 CH3CHS Thioacetaldehyde 1A'C1
219 NH2CHOH+ Formamide, O-protonated   
220 CH3SSH Hydrogen methyl disulfide   
221 HSCH2SH Methanedithiol   
222 CH3CH2SH ethanethiol 1A'Cs
223 CH3SCH3 Dimethyl sulfide 1A1C2v
224 BrCN Cyanogen bromide 1ΣC∞v
225 CF2 Difluoromethylene 1A1D∞h
226 BrOO Bromine dioxide   
227 OBrO Bromine dioxide radical 2B1C2v
228 PF2 Phosphorus difluoride   
229 SF2 sulfur difluoride 1A1C2v
230 SFCl Sulfur chloride fluoride   
231 CHF2+ difluoromethyl cation   
232 CHFCl Chlorofluoromethyl radical   
233 CHFCl+ Chlorofluoromethyl cation   
234 CHCl2+ dichloromethyl cation   
235 NHF2 difluoramine   
236 NHCl2 dichloroamine   
237 SiH2F2 difluorosilane   
238 CH2Cl2 Methylene chloride 1A1C2v
239 CH2Br2 dibromomethane 1A1C2v
240 CH3MgBr Methyl Magnesium Bromide   
241 CH2FOH fluoromethanol   
242 C4 Carbon tetramer 3ΣgD∞h
243 C4 Carbon tetramer   
244 C4H2+ diacetlyene cation 2ΠgD∞h
245 C4H4 Tetrahedrane   
246 C4H6 1-Methylcyclopropene 1AC1
247 As4 Arsenic tetramer 1A1Td
248 H2CNCN cyanamide, methylene   
249 HNCCNH Ethenediimine   
250 H2NCHCHNH2 diaminoethylene   
251 N(SiH3)3 trisilylamine   
252 ONNO NO dimer 1Agtrans C2H
253 ONNO NO dimer 1A1cis C2V
254 SO3 Sulfur trioxide 1A1'D3h
255 S4 Sulfur tetramer   
256 S4 Sulfur tetramer   
257 S4 Sulfur tetramer   
258 C3H2O Propadienal   
259 C3H2O Propadienal   
260 CH3NCO methylisocyante   
261 H3AlO3 Aluminum hydroxide   
262 CH2C(OH)NH2 1-amino vinyl alchohol   
263 CH3C(OH)=NH Ethaninidic acid   
264 CH3CSNH2 Ethanethioamide   
265 CH3CH2CHO Propanal 1A'Cs
266 Li2F2 Lithium fluoride dimer   
267 CF2O+ Carbonic difluoride cation   
268 BF3+ boron trifluoride cation   
269 BCl3 Borane, trichloro- 1A1'D3h
270 BCl3+ Boron Trichloride cation   
271 CF2Cl difluorochloromethyl radical   
272 CFCl2 dichlorofluoromethyl radical   
273 SSCl2 Thiothionyl chloride   
274 NBr3 Nitrogen Tribromide 1A1C3v
275 SiHF3 trifluorosilane   
276 CHBrF2 Methane, bromodifluoro- 1A'Cs
277 CHBrCl2 Methane, bromodichloro- 1A'Cs
278 CHBr2F dibromofluoromethane   
279 C2H4F2 1,2-difluoroethane 1AgC2H anti
280 C2H4F2 1,2-difluoroethane 1AC2 gauche
281 CH2CHCH2F Allyl Fluoride   
282 CH3CHCHF trans-1-Fluoro-1-propene   
283 CH2FCH2CH3 1-Fluoropropane   
284 C5H4 pentatetraene   
285 C3O2 Carbon suboxide 1ΣGD∞h
286 CHOOCHO diformyl ether   
287 C3H3NO Isoxazole 1A'Cs
288 C3H3NS Thiazole   
289 C4H4Se selenophene   
290 CBr2ClF dibromochlorofluoromethane   
291 SF4 Sulfur tetrafluoride 1A1C2v
292 CHF2CH2F Ethane, 1,1,2-trifluoro 1AC1
293 C2H2N2O Furazan   
294 C6H6 Prismane   
295 C6H6 Dewar Benzene   
296 N3P3 1,3,5,2,4,6-Triazatriphosphorine   
297 N2O4 Dinitrogen tetroxide 1AgD2d
298 C3H2O3 vinylene carbonate   
299 SF6 Sulfur Hexafluoride 1A1GOh
300 C6H5CHO benzaldehyde 1A'Cs

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 cation h+  
5 D2 Deuterium diatomic d2  
6 H2+ Hydrogen cation h2+  
7 HD Deuterium hydride hd  
8 H3+ hydrogen trimer cation h3+  
9 He- Helium atom anion he-  
10 HeH Helium hydride heh  
11 HeH+ Helium hydride cation heh+  
12 He2+ helium diatomic cation he2+  
13 Li Lithium atom li  
14 Li+ Lithium atom cation li+  
15 Na Sodium atom na  
16 Na- Sodium atom anion na-  
17 Na+ Sodium atom cation na+  
18 K Potassium atom k  
19 K- Potassium atom anion k-  
20 K+ Potassium atom cation k+  
21 Cu Copper atom cu  
22 Cu- Copper atom anion cu-  
23 Cu+ Copper atom cation cu+  
24 LiH- lithium hydride anion lih-  
25 LiH+ lithium hydride cation lih+  
26 NaH sodium hydride nah  
27 NaH- sodium hydride anion nah-  
28 NaH+ sodium hydride cation nah+  
29 KH Potassium hydride kh  
30 KH+ Potassium hydrogen cation kh+  
31 CuH Copper monohydride cuh  
32 Be Beryllium atom be  
33 Be- Beryllium atom anion be-  
34 Be+ Beryllium atom cation be+  
35 Mg Magnesium atom mg  
36 Mg- Magnesium atom anion mg-  
37 Mg+ Magnesium atom cation mg+  
38 Ca Calcium atom ca  
39 Ca- Calcium atom anion ca-  
40 Ca+ Calcium atom cation ca+  
41 Zn Zinc atom zn  
42 Zn- Zinc atom anion zn-  
43 Zn+ Zinc atom cation zn+  
44 BeH beryllium monohydride beh  
45 BeH- berylium monohydride anion beh-  
46 BeH+ beryllium monohydride cation beh+  
47 MgH- magnesium monohydride anion mgh-  
48 MgH+ magnesium monohydride cation mgh+  
49 CaH Calcium monohydride cah  
50 CaH+ Calcium monohydride cation cah+  
51 TiH Titanium monohydride tih  
52 ZnH Zinc monohydride znh  
53 BeH2 beryllium dihydride beh2  
54 BeH2+ Beryllium dihydride cation beh2+  
55 MgH2 magnesium dihydride mgh2  
56 CaH2 Calcium Hydride cah2  
57 ZnH2 Zinc hydride znh2  
58 B Boron atom b  
59 B- Boron atom anion b-  
60 B+ Boron atom cation b+  
61 Al Aluminum atom al  
62 Al+ Aluminum atom cation al+  
63 Sc Scandium atom sc  
64 Sc+ Scandium cation sc+  
65 Ga Gallium atom ga  
66 Ga- Gallium atom anion ga-  
67 Ga+ Gallium atom cation ga+  
68 BH Boron monohydride bh  
69 BH- boron monohydride anion bh-  
70 BH+ boron monohydride cation bh+  
71 AlH aluminum monohydride alh  
72 AlH- aluminum monohydride anion alh-  
73 AlH+ aluminum monohydride cation alh+  
74 ScH Scandium monohydride sch  
75 ScH+ Scandium monohydride cation sch+  
76 GaH Gallium monohydride gah  
77 GaH+ Gallium monohydride cation gah+  
78 BH2 boron dihydride bh2  
79 BH2- boron dihydride anion bh2-  
80 BH2+ Boron dihydride cation bh2+  
81 AlH2 aluminum dihydride alh2  
82 AlH2- aluminum dihydride anion alh2-  
83 AlH2+ aluminum dihydride cation alh2+  
84 BH3 boron trihydride bh3  
85 BH3- boron trihydride anion bh3-  
86 BH3+ boron trihydride cation bh3+  
87 AlH3 aluminum trihydride alh3  
88 AlH3+ aluminum trihydride cation alh3+  
89 ScH3 Scandium trihydride sch3  
90 GaH3 Gallium trihydride gah3  
91 BH4 borohydride bh4  
92 BH4- borohydride anion bh4-  
93 AlH4- Aluminum tetrahydride anion alh4-  
94 C- Carbon atom anion c-  
95 C+ Carbon atom cation c+  
96 Si Silicon atom si  
97 Si+ Silicon atom cation si+  
98 Ti Titanium atom ti  
99 Ti- Titanium atom anion ti-  
100 Ti+ Titanium atom cation ti+  
101 Ge Germanium atom ge  
102 Ge- Germanium anion ge-  
103 Ge+ Germanium cation ge+  
104 Sn Tin atom sn  
105 Sn+ Tin cation sn+  
106 CH Methylidyne ch  
107 CH- methylidyne anion ch-  
108 CH+ Methylidyne cation ch+  
109 SiH Silylidyne sih  
110 SiH- silicon monohydride anion sih-  
111 SiH+ silicon monohydride cation sih+  
112 GeH germylidene geh  
113 GeH+ Germaniun monohyrdide cation geh+  
114 CH2 Methylene ch2  
115 CH2+ methylene cation ch2+  
116 SiH2 silicon dihydride sih2  
117 SiH2- silicon dihydride anion sih2-  
118 SiH2+ silicon dihydride cation sih2+  
119 GeH2 germylene geh2  
120 GeH2- germylene anion geh2-  
121 CH3 Methyl radical ch3  
122 CH3+ methyl cation ch3+  
123 SiH3 Silyl radical sih3  
124 SiH3- Silyl anion sih3-  
125 SiH3+ Silyl cation sih3+  
126 GeH3 Germyl radical geh3  
127 GeH3+ germyl cation geh3+  
128 CD4 methane-d4 cd4  
129 CH2D2 methane-d2 ch2d2  
130 CH3D methane-d ch3d  
131 CH4- Methane anion ch4-  
132 CH4+ Methane cation ch4+  
133 CHD3 methane-d3 chd3  
134 SiH4 Silane sih4  
135 SiH4+ Silane cation sih4+  
136 GeH4 Germane geh4  
137 SnH4 Stannane snh4  
138 N- Nitrogen atom anion n-  
139 N+ Nitrogen atom cation n+  
140 P Phosphorus atom p  
141 P- Phosphorus atom anion p-  
142 P+ Phosphorus atom cation p+  
143 V Vanadium atom v  
144 V+ Vanadium atom cation v+  
145 Sb Antimony atom sb  
146 NH Imidogen nh  
147 NH- Imidogen anion nh-  
148 NH+ imidogen cation nh+  
149 PH- phosphorus monohydride anion ph-  
150 PH+ phosphorus monohydride cation ph+  
151 AsH Arsenic monohydride ash  
152 AsH+ Arsenic monohydride cation ash+  
153 SbH Antimony monohydride sbh  
154 ND2 Amidogen-d2 nd2  
155 NH2- amino anion nh2-  
156 NH2+ Amino cation nh2+  
157 PH2 Phosphino radical ph2  
158 PH2- Phosphino anion ph2-  
159 PH2+ Phosphino cation ph2+  
160 AsH2 Arsenic dihydride ash2  
161 AsH2+ Arsenic dihydride cation ash2+  
162 ND3 Ammonia-d3 nd3  
163 NH3- Ammonia anion nh3-  
164 NH3+ ammonia cation nh3+  
165 PH3 Phosphine ph3  
166 AsH3 Arsine ash3  
167 AsH3+ Arsine cation ash3+  
168 SbH3 Stibine sbh3  
169 AsH4+ Arsonium ash4+  
170 NH4+ ammonium cation nh4+  
171 PH4+ phosphonium cation ph4+  
172 O- Oxygen atom anion o-  
173 O+ Oxygen atom cation o+  
174 S+ Sulfur atom cation s+  
175 Cr Chromium atom cr  
176 Te Tellurium atom te  
177 Te+ Tellurium atom cation te+  
178 DO Hydroxyl-d od  
179 DS Mercapto-d ds  
180 HS Mercapto radical hs  
181 HS- mercapto anion sh-  
182 HS+ sulfur monohydride cation sh+  
183 CrH Chromium hydride crh  
184 CrH+ Chromium hydride cation crh+  
185 TeH Telluryl radical teh  
186 D2O Deuterium oxide d2o  
187 H2O+ water cation h2o+  
188 HDO Water-d1 hdo  
189 D2S Hydrogen sulfide-d2 d2s  
190 H2S- Hydrogen sulfide anion h2s-  
191 H2S+ Hydrogen sulfide cation h2s+  
192 H2Te Hydrogen Telluride h2te  
193 H3O+ hydronium cation h3o+  
194 H3S+ Sulfonium cation h3s+  
195 F+ Fluorine atom cation f+  
196 Cl+ Chlorine atom cation cl+  
197 Mn Manganese atom mn  
198 I Iodine atom iodine  
199 I- Iodine atom anion iodine-  
200 I+ Iodine atom cation iodine+  
201 DF Hydrofluoric acid-d df  
202 HF Hydrogen fluoride hf  
203 HF- hydrogen fluoride anion hf-  
204 HF+ hydrogen fluoride cation hf+  
205 DCl Hydrochloric acid-d dcl  
206 HCl- hydrogen chloride anion hcl-  
207 HCl+ hydrogen chloride cation hcl+  
208 HI Hydrogen iodide hi  
209 HI+ Hydrogen iodide cation hi+  
210 H2F+ dihydrogen fluoride cation h2f+  
211 H2Cl+ dihydrogen monochloride cation h2cl+  
212 H2I+ Iodonium h2i+  
213 Ne Neon atom ne  
214 Ne- Neon atom anion ne-  
215 Ne+ Neon atom cation ne+  
216 Ar Argon atom ar  
217 Ar- Argon atom anion ar-  
218 Ar+ Argon atom cation ar+  
219 Fe Iron atom fe  
220 Kr Krypton atom kr  
221 Kr+ Krypton cation kr+  
222 Xe Xenon atom xe  
223 NeH neon hydrogen neh  
224 NeH+ neon hydrogen cation neh+  
225 KrH+ Protonated Krypton krh+  
226 XeH+ Xenon, protonated xeh+  
227 H2Ar H2 Ar dimer h2ar  
228 Co Cobalt atom cobalt  
229 Ni Nickel atom ni  
230 Li2 Lithium diatomic li2  
231 Li2- lithium diatomic anion li2-  
232 Li2+ lithium diatomic cation li2+  
233 NaLi lithium sodium lina  
234 NaLi- lithium sodium anion lina-  
235 NaLi+ lithium sodium cation lina+  
236 LiK Lithium Potassium lik  
237 Na2 Sodium diatomic na2  
238 Na2+ sodium diatomic cation na2+  
239 NaK Sodium Potassium nak  
240 NaK+ Sodium Potassium diatomic cation nak+  
241 K2 Potassium diatomic k2  
242 Cu2 Copper diatomic cu2  
243 LiBe Lithium Beryllium libe  
244 LiMg Lithium magnesium limg  
245 NaBe Sodium Beryllium nabe  
246 NaMg Sodium Magnesium namg  
247 Be2 Beryllium diatomic be2  
248 Be2- Beryllium diatomic anion be2-  
249 Be2+ Beryllium diatomic cation be2+  
250 BeMg Beryllium Magnesium bemg  
251 Mg2 Magnesium diatomic mg2  
252 Mg2- magnesium diatomic anion mg2-  
253 Mg2+ magnesium diatomic cation mg2+  
254 Ca2 Calcium diatomic ca2  
255 LiB Lithium boride lib  
256 NaAl Sodium aluminum naal  
257 BeB Beryllium monoboride beb  
258 B2 Boron diatomic b2  
259 B2- Boron diatomic anion b2-  
260 B2+ Boron diatomic cation b2+  
261 BAl Boron Aluminum bal  
262 Al2 Aluminum diatomic al2  
263 Al2- aluminum diatomic anion al2-  
264 Al2+ aluminum diatomic cation al2+  
265 BGa Boron Gallium bga  
266 AlGa Aluminum Gallium alga  
267 Ga2 Gallium diatomic ga2  
268 LiBH4 Lithium borohydride libh4  
269 HBHHBH Diborane(4) C2V hbhhbh  
270 Al2H6 dialane al2h6  
271 Ga2H6 digallane ga2h6  
272 LiC Lithium Carbide lic  
273 BeC Beryllium Carbide bec  
274 CaC Calcium monocarbide cac  
275 BC boron monocarbide bc  
276 BC- boron monocarbide anion bc-  
277 BC+ boron monocarbide cation bc+  
278 AlC Aluminum carbide alc  
279 BSi Boron silicide bsi  
280 C2 Carbon diatomic c2  
281 C2- carbon diatomic anion c2-  
282 C2+ carbon diatomic cation c2+  
283 SiC silicon monocarbide sic  
284 SiC- silicon monocarbide anion sic-  
285 SiC+ silicon monocarbide cation sic+  
286 Si2 Silicon diatomic si2  
287 Si2- silcon diatomic anion si2-  
288 Si2+ silcon diatomic cation si2+  
289 GeC Germanium monocarbide gec  
290 Ge2 Germanium diatomic ge2  
291 C2H Ethynyl radical c2h  
292 C2H+ Ethynyl cation c2h+  
293 ZnCH2 Zinc methylene znch2  
294 C2H2 Acetylene c2h2  
295 CCH2 vinylidene vinylidene  
296 H2CC- vinylidene anion h2cc-  
297 HCCH- acetylene anion c2h2-  
298 Si2H2 disilyne si2h2  
299 CuCH3 monomethyl copper cuch3  
300 ZnCH3 Zinc monomethyl znch3  
301 CH2BH methyleneborane ch2bh  
302 C2H3 vinyl c2h3  
303 C2H3- vinyl anion c2h3-  
304 C2H4- Ethylene anion c2h4-  
305 C2H4+ Ethylene cation c2h4+  
306 CH3CH methylmethylene ch3ch  
307 CH2SiH2 silaethylene ch2sih2  
308 CH3BH2 methylborane ch3bh2  
309 C2H5 Ethyl radical c2h5  
310 C2H5- Ethyl anion c2h5-  
311 C2H5+ Ethyl cation c2h5+  
312 C2H6+ ethane cation c2h6+  
313 CH3SiH3 methyl silane ch3sih3  
314 GeH3CH3 methyl germane geh3ch3  
315 C2H7+ Ethane, protonated c2h7+  
316 LiN Lithium Nitride lin  
317 LiN+ Lithium Nitride cation lin+  
318 BeN Beryllium mononitride ben  
319 BeN- Beryllium mononitride anion ben-  
320 BeN+ Beryllium mononitride cation ben+  
321 BN- boron nitride anion bn-  
322 AlN- aluminum mononitride anion aln-  
323 AlN+ aluminum mononitride cation aln+  
324 BP Boron monophosphide bp  
325 AlP Aluminum monophosphide alp  
326 GaN Gallium mononitride gan  
327 GaP Gallium monophosphide gap  
328 GaAs Gallium arsenide gaas  
329 BN boron nitride bn  
330 BN+ boron nitride cation bn+  
331 AlN Aluminum nitride aln  
332 CN- cyanide anion cn-  
333 CN+ Cyano cation cn+  
334 CP Carbon monophosphide cp  
335 CP- carbon monophosphide anion cp-  
336 CP+ carbon monophosphide cation cp+  
337 SiN Silicon nitride sin  
338 SiN- silicon mononitride anion sin-  
339 SiN+ silicon mononitride cation sin+  
340 SiP- Silicon monophosphide anion sip-  
341 SiP+ Silicon monophosphide cation sip+  
342 TiN Titanium mononitride tin  
343 N2+ diatomic nitrogen cation n2+  
344 PN Phosphorus mononitride pn  
345 PN- phosphorus nitride anion pn-  
346 PN+ phosphorus nitride cation pn+  
347 P2 Phosphorus diatomic p2  
348 P2- phosphorus diatomic anion p2-  
349 P2+ phosphorus diatomic cation p2+  
350 AsN Arsenic mononitride asn  
351 AsP Arsenic monophosphide asp  
352 SbN Antimony nitride sbn  
353 As2 Arsenic diatomic as2  
354 HNB hydrogen nitrogen boron hnb  
355 HNC hydrogen isocyanide hnc  
356 HCN- Hydrogen cyanide anion hcn-  
357 HCN+ hydrogen cyanide cation hcn+  
358 HCP Phosphaethyne hcp  
359 HCP+ Phosphaethyne cation hcp+  
360 NNH Dinitrogen monohydride nnh  
361 HPO Hydrogen phosphorus oxide hpo  
362 HPO+ Hydrogen phosphorus oxide cation hpo+  
363 HBNH Boranimine hbnh  
364 CNH2 Aminomethylidyne radical cnh2  
365 CNH2+ N-protonated hydrogen isocyanide cnh2+  
366 H2CN Dihydrogen cyanide radical h2cn  
367 H2CN+ hydrocyanonium cation h2cn+  
368 HCNH methyleneazane hcnh  
369 HCNH+ N-protonated HCN hcnh+  
370 H2NN Isodiazene h2nn  
371 N2H2 (E)-diazene n2h2  
372 N2H2 (Z)-Diazene n2h2z  
373 N2H2+ trans-diazene cation n2h2+  
374 CH2PH Phosphaethene ch3p  
375 CH2NH2+ methyleneamine cation ch2nh2+  
376 N2H4 Hydrazine n2h4  
377 N2H4+ hydrazine cation n2h4+  
378 P2H4 Diphosphine p2h4  
379 CH3NH2 methyl amine ch3nh2  
380 CH3NH2+ methyl amine cation ch3nh2+  
381 CH3PH2 Methyl phosphine ch3ph2  
382 N2H5+ protonated hydrazine n2h5+  
383 BH3NH3 borane ammonia bh3nh3  
384 CH3NH3 methyl ammonium radical ch3nh3  
385 CH3NH3+ protonated methylamine ch3nh3+  
386 CH3PH3+ methyl phosphine, protonated ch3ph3+  
387 NH3NH3 Ammonia Dimer nh3nh3  
388 N2H7+ ammonia ammonium dimer n2h7+  
389 LiO lithium oxide lio  
390 LiO- lithium oxide anion lio-  
391 LiO+ lithium oxide cation lio+  
392 LiS Lithium monosulfide lis  
393 LiS+ Lithium sulfide cation lis+  
394 NaO sodium monoxide nao  
395 NaO- sodium oxide anion nao-  
396 NaO+ sodium oxide cation nao+  
397 KO Potassium monoxide ko  
398 KO+ Potassium monoxide cation ko+  
399 NaS Sodium sulfide nas  
400 CuO Copper Monoxide cuo  
401 LiSe Lithium monoselenide lise  
402 BeO beryllium oxide beo  
403 BeO- Beryllium monoxide anion beo-  
404 BeO+ Beryllium monoxide cation beo+  
405 BeS beryllium sulfide bes  
406 MgO magnesium oxide mgo  
407 MgO- magnesium oxide anion mgo-  
408 MgO+ magnesium oxide cation mgo+  
409 CaO Calcium monoxide cao  
410 MgS magnesium sulfide mgs  
411 MgS- magnesium sulfide anion mgs-  
412 MgS+ magnesium sulfide cation mgs+  
413 CaS Calcium sulfide cas  
414 ZnO zinc monoxide zno  
415 ZnS Zinc sulfide zns  
416 BeS- Beryllium monosulfide anion bes-  
417 BeS+ Beryllium monosulfide cation bes+  
418 BO boron monoxide bo  
419 BO- boron monoxide anion bo-  
420 AlO Aluminum monoxide alo  
421 AlO- Aluminum monoxide anion alo-  
422 AlO+ aluminum monoxide cation alo+  
423 BS boron sulfide bs  
424 BS- boron monosulfide anion bs-  
425 BS+ boron monosulfide cation bs+  
426 AlS Aluminum sulfide als  
427 AlS- aluminum monosulfide anion als-  
428 AlS+ aluminum monosulfide cation als+  
429 ScO Scandium monoxide sco  
430 GaO Gallium monoxide gao  
431 GaS Gallium monosulfide gas  
432 BO+ boron monoxide cation bo+  
433 CS carbon monosulfide cs  
434 CS- carbon monosulfide anion cs-  
435 CS+ carbon monosulfide cation cs+  
436 SiO Silicon monoxide sio  
437 SiO- silicon monoxide anion sio-  
438 SiO+ silicon monoxide cation sio+  
439 SiS silicon monosulfide sis  
440 SiS- silicon monosulfide anion sis-  
441 SiS+ silicon monosulfide cation sis+  
442 TiO Titanium monoxide tio  
443 CSe Carbon monoselenide cse  
444 CSe- Carbon monoselenide anion cse-  
445 CSe+ Carbon monoselenide cation cse+  
446 GeO Germanium monoxide geo  
447 GeO+ Germanium monoxide cation geo+  
448 GeS Germanium monosulfide ges  
449 GeSe Germanium monoselenide gese  
450 NO+ nitric oxide cation no+  
451 NS Mononitrogen monosulfide ns  
452 NS- nitrogen sulfide anion ns-  
453 NS+ nitrogen sulfide cation ns+  
454 PO Phosphorus monoxide po  
455 PO- phosphorus monoxide anion po-  
456 PO+ phosphorus monoxide cation po+  
457 PS- phosphorus monosulfide anion ps-  
458 PS+ phosphorus monosulfide cation ps+  
459 VO Vanadium monoxide vo  
460 AsO Arsenic monoxide aso  
461 NSe Nitrogen monoselenide nse  
462 AsS Arsenic monosulfide ass  
463 PSe Phosphorus monoselenide pse  
464 AsSe Arsenic monoselenide asse  
465 O2-- dioxygen dianion o2--  
466 O2+ diatomic oxygen cation o2+  
467 SO Sulfur monoxide so  
468 SO- sulfur monoxide anion so-  
469 S2- sulfur diatomic anion s2-  
470 S2+ sulfur diatomic cation s2+  
471 SeO- selenium monoxide anion seo-  
472 SeO+ selenium monoxide cation seo+  
473 SeS Selenium monosulfide ses  
474 SeS- selenium monosulfide anion ses-  
475 SeS+ selenium monosulfide cation ses+  
476 TeO Tellurium monoxide teo  
477 Se2 Selenium diatomic se2  
478 Se2- selenium diatomic anion se2-  
479 Se2+ selenium diatomic cation se2+  
480 Te2 Tellurium diatomic te2  
481 LiOH lithium hydroxide lioh  
482 NaOH sodium hydroxide naoh  
483 KOH Potassium hydroxide koh  
484 MgOH magnesium hydroxide mgoh  
485 CaOH Calcium monohydroxide caoh  
486 HBO Boron hydride oxide hbo  
487 HBS hydrogen boron sulfide hbs  
488 COH+ Carbon Monoxide, protonated coh+  
489 HCO Formyl radical hco  
490 HCO- formyl anion hco-  
491 HCO+ Formyl cation hco+  
492 HCS Thioformyl radical hcs  
493 HCS- Thioformyl anion hcs-  
494 HCS+ Thioformyl cation hcs+  
495 HNO Nitrosyl hydride hno  
496 HNO- Nitrosyl hydride anion hno-  
497 NOH Hydroxyimidogen noh  
498 NOH+ O-protonated nitric oxide noh+  
499 HNS Sulfur imide hns  
500 HNS- Sulfur imide anion hns-  
501 HO2 Hydroperoxy radical ho2  
502 HO2- Hydroperoxy anion ho2-  
503 HO2+ Hydroperoxy cation ho2+  
504 HS2 Thiosulfeno radical hs2  
505 HOCH hydroxycarbene hoch  
506 H2CS- thioformaldehyde anion h2cs-  
507 H2CS+ thioformaldehyde cation h2cs+  
508 H2CSe Selenoformaldehyde h2cse  
509 H2NO nitroxide h2no  
510 H2O2+ Hydrogen peroxide cation h2o2+  
511 H2S2 Disulfane h2s2  
512 H2S2+ hydrogen disulfide cation h2s2+  
513 H2Se2 hydrogen diselenide h2se2  
514 CH2OH Hydroxymethyl radical ch2oh  
515 CH2OH+ hydroxymethyl cation ch2oh+  
516 CH3O Methoxy radical ch3o  
517 CH3O- methoxy anion ch3o-  
518 CH3O+ Methoxy cation ch3o+  
519 CH3S thiomethoxy ch3s  
520 H2CSH+ Thioformaldehyde, protonated h2csh+  
521 NH2OH hydroxylamine nh2oh  
522 NH3O Ammonia Oxide nh3o  
523 H2POH Phosphinous acid h2poh  
524 H3PO Phosphine oxide h3po  
525 NH2SH Thiohydroxylamine nh2sh  
526 NH3S sulfidoazane nh3s  
527 H3O2+ hydrogen peroxide, protonated h3o2+  
528 CH3OH- Methyl alcohol anion ch3oh-  
529 CH3SH Methanethiol ch3sh  
530 CH3SH+ Methanethiol cation ch3sh+  
531 CH3SeH Methane selenol ch3seh  
532 H2OH2O water dimer h2oh2o  
533 CH3OH2+ Methanol, protonated ch3oh2+  
534 CH3SH2+ protonated methylsulfide ch3sh2+  
535 H2ONH3 Water Ammonia Dimer h2onh3  
536 H5O2+ Dihydroxonium ion h5o2+  
537 LiCl- lithium chloride anion licl-  
538 LiCl+ lithium chloride cation licl+  
539 NaF sodium fluoride naf  
540 NaF- sodium fluoride anion naf-  
541 KF Potassium Fluoride kf  
542 NaCl Sodium Chloride nacl  
543 NaCl- sodium chloride anion nacl-  
544 NaCl+ sodium chloride cation nacl+  
545 KCl Potassium Chloride kcl  
546 CuF Copper monofluoride cuf  
547 LiBr- lithium bromide anion libr-  
548 LiBr+ lithium bromide cation libr+  
549 CuCl Copper monochloride cucl  
550 NaBr Sodium Bromide nabr  
551 NaBr- sodium bromide anion nabr-  
552 NaBr+ sodium bromide cation nabr+  
553 KBr Potassium Bromide kbr  
554 LiI Lithium Iodide lii  
555 NaI Sodium Iodide nai  
556 KI Potassium Iodide ki  
557 LiF- lithium fluoride anion lif-  
558 BeF Beryllium monofluoride bef  
559 BeF- Beryllium monofluoride anion bef-  
560 BeF+ Beryllium monofluoride cation bef+  
561 BeCl beryllium monochloride becl  
562 MgF Magnesium monofluoride mgf  
563 MgF- magnesium fluoride anion mgf-  
564 MgF+ magnesium fluoride cation mgf+  
565 CaF Calcium monofluoride caf  
566 MgCl magnesium monochloride mgcl  
567 MgCl- magnesium monochloride anion mgcl-  
568 MgCl+ magnesium monochloride cation mgcl+  
569 CaCl calcium monochloride cacl  
570 TiCl Titanium Monochloride ticl  
571 ZnF Zinc monofluoride znf  
572 ZnF- Zinc monofluoride anion znf-  
573 ZnF+ Zinc monofluoride cation znf+  
574 ZnCl Zinc monochloride zncl  
575 CaBr Calcium monobromide cabr  
576 BeCl- beryllium monochloride anion becl-  
577 BeCl+ beryllium monochloride cation becl+  
578 BF Boron monofluoride bf  
579 BF- Boron monofluoride anion bf-  
580 BF+ Boron monofluoride cation bf+  
581 AlF Aluminum monofluoride alf  
582 AlF- Aluminum monofluoride anion alf-  
583 AlF+ Aluminum monofluoride cation alf+  
584 BCl boron monochloride bcl  
585 BCl- boron monochloride anion bcl-  
586 BCl+ boron monochloride cation bcl+  
587 AlCl Aluminum monochloride alcl  
588 AlCl- aluminum monochloride anion alcl-  
589 AlCl+ aluminum monochloride cation alcl+  
590 ScF Scandium monofluoride scf  
591 BBr Boron monobromide bbr  
592 GaF Gallium monofluoride gaf  
593 GaF+ Gallium monofluoride cation gaf+  
594 GaCl Gallium monochloride gacl  
595 GaCl+ Gallium monochloride cation gacl+  
596 AlI Aluminum monoiodide ali  
597 GaBr Gallium monobromide gabr  
598 CF Fluoromethylidyne cf  
599 CF- carbon monofluoride anion cf-  
600 CF+ carbon monofluoride cation cf+  
601 CCl carbon monochloride ccl  
602 CCl- carbon monochloride anion ccl-  
603 CCl+ carbon monochloride cation ccl+  
604 SiF silicon monofluoride sif  
605 SiF- silicon monofluoride anion sif-  
606 SiF+ silicon monofluoride cation sif+  
607 SiCl Clorosilylidyne sicl  
608 SiCl- silicon monochloride anion sicl-  
609 SiCl+ silicon monochloride cation sicl+  
610 CBr Carbon monobromide cbr  
611 GeF Germanium monofluoride gef  
612 GeF+ Germanium monofluoride cation gef+  
613 GeCl Germanium monochloride gecl  
614 SiBr Silicon monobromide sibr  
615 NF nitrogen fluoride nf  
616 NF- nitrogen monofluorine anion nf-  
617 NF+ nitrogen monofluoirde cation nf+  
618 NCl nitrogen monochloride ncl  
619 NCl- nitrogen monochloride anion ncl-  
620 NCl+ nitrogen monochloride cation ncl+  
621 PF phosphorus monofluoride pf  
622 PF- phosphorus monofluoride anion pf-  
623 PF+ phosphorus monofluoride cation pf+  
624 PCl phosphorus chloride pcl  
625 PCl- phosphorus monochloride anion pcl-  
626 PCl+ phosphorus monochloride cation pcl+  
627 AsF Arsenic monofluoride asf  
628 NBr nitrogen monobromide nbr  
629 AsCl Arsenic monochloride ascl  
630 SbF Antimony monofluoride sbf  
631 SbCl Antimony monochloride sbcl  
632 FO Oxygen monofluoride fo  
633 FO- flourine oxide anion fo-  
634 FO+ fluorine monoxide cation fo+  
635 ClO Monochlorine monoxide clo  
636 ClO- chlorine monoxide anion clo-  
637 ClO+ chlorine monoxide cation clo+  
638 SF Monosulfur monofluoride sf  
639 SF- sulfur monofluoride anion sf-  
640 SF+ sulfur monofluoride cation sf+  
641 SCl sulfur monochloride scl  
642 SCl- sulfur monochloride anion scl-  
643 SCl+ sulfur monochloride cation scl+  
644 BrO Bromine monoxide bro  
645 BrO- Bromine monoxide anion bro-  
646 BrO+ Bromine monoxide cation bro+  
647 SeF Selenium monofluoride sef  
648 SBr Sulfur monobromide radical sbr  
649 SBr+ Sulfur monobromide cation sbr+  
650 SeCl Selenium monochloride secl  
651 IO Iodine monoxide io  
652 SeBr Selenium monobromide sebr  
653 ClF Chlorine monofluoride clf  
654 ClF- clorine monofluoride anion clf-  
655 Cl2- chlorine diatomic anion cl2-  
656 BrF- bromine fluoride anion brf-  
657 BrF+ bromine fluoride cation brf+  
658 BrCl- bromine chloride anion brcl-  
659 BrCl+ bromine chloride cation brcl+  
660 IF Iodine monofluoride if  
661 ICl Iodine monochloride icl  
662 IBr Iodine monobromide ibr  
663 I2 Iodine diatomic i2  
664 I2+ Iodine diatomic cation i2+  
665 HCCl Chloromethylene hccl  
666 HSiF fluorosilylene hsif  
667 HSiCl Chlorosilylene hsicl  
668 HSiBr monobromosilylene hsibr  
669 CHBr bromomethylene chbr  
670 HOF Hypofluorous acid hfo  
671 DOCl Hypochlorous acid-d docl  
672 HOBr Hypobromous acid hobr  
673 HOBr+ Hypobromous acid cation hobr+  
674 HOI Hypoiodous acid hoi  
675 F2H+ Fluorine, protonated f2h+  
676 FHF Hydrogen difluoride fhf  
677 FHF- Hydrogen difluoride anion fhf-  
678 Cl2H+ Chlorine, protonated cl2h+  
679 CH2F fluoromethyl radical ch2f  
680 NH2F monofluoroamine nh2f  
681 H2F2 Hydrogen fluoride dimer h2f2  
682 CD3F methylfluoride-d3 cd3f  
683 CD3Cl methyl chloride d3 cd3cl  
684 SiH3F monofluorosilane sih3f  
685 GeH3F monofluorogermane geh3f  
686 GeH3Cl monochlorogermane geh3cl  
687 SiH3Br bromosilane sih3br  
688 CH3I methyl iodide ch3i  
689 SiH3I Silyl Iodide sih3i  
690 CH3ClH+ methyl chloride, protonated ch3clh+  
691 LiNe+ Lithium Neon cation line+  
692 Ne2 Neon diatomic ne2  
693 Ne2+ Neon diatomic cation ne2+  
694 Ar2 Argon diatomic ar2  
695 Ar2+ Argon diatomic cation ar2+  
696 Li3 Lithium trimer li3  
697 Li3+ Lithium trimer cation li3+  
698 C3 carbon trimer c3  
699 C3+ carbon trimer cation c3+  
700 SiC2 Silicon dicarbide sic2  
701 C3H3 cyclopropenyl radical cpr  
702 C3H3 Propargyl radical propargyl  
703 C3H3- Propargyl anion c3h3-  
704 C3H3+ cyclopropenyl cation cpr+  
705 C3H3+ Propargyl cation c3h3+  
706 CH2CCH2 allene allene  
707 C3H5 Allyl radical allyl  
708 C3H5+ Allyl cation allyl+  
709 CH3CHCH 1-propenyl radical ch3chch  
710 Zn(CH3)2 dimethyl zinc dmz  
711 C3H6 Cyclopropane c3h6  
712 C3H7+ cyclopropane, protonated c3h7+  
713 CH3CHCH3 Isopropyl radical isopropyl  
714 CH3CHCH3+ Isopropyl cation prop2yl+  
715 C3H8 Propane propane  
716 SiH2(CH3)2 dimethylsilane dms  
717 LiCN lithium cyanide licn  
718 NaCN Sodium Cyanide nacn  
719 KCN Potassium cyanide kcn  
720 CuCN Copper cyanide cucn  
721 ZnCN Zinc monocyanide zncn  
722 ZnNC Zinc isocyanide znnc  
723 AlCN Aluminum monocyanide alcn  
724 AlNC Aluminum isocyanide alnc  
725 CN2 3H-Diazirin-3-ylidene cn2  
726 CNN Diazocarbene cnn  
727 NCN Cyanoimidogen ncn  
728 N3 azide radical n3  
729 N3- azide anion n3-  
730 N3+ azide cation n3+  
731 HCCN cyanomethylene hccn  
732 HCNN diazomethyl radical hcnn  
733 HN3 hydrogen azide hn3  
734 CH2N2 diazirine ch2n2  
735 CH2NN diazomethane ch2nn  
736 NH2CN cyanamide cyanamide  
737 CH3CN+ Acetonitrile cation ch3cn+  
738 CH3NC methyl isocyanide ch3nc  
739 CHNCH2 2H-Azirine c157164  
740 CHNHCH 1H-Azirine chnhch  
741 H2CCNH Ethenimine ch2cnh  
742 H2CNCH methyleneaminomethylene ch2nch  
743 HCCNH2 Ethynamine hccnh2  
744 HNCNH2+ diiminomethane, protonated hncnh2+  
745 NCNH3+ Cyanamide, protonated ncnh3+  
746 CH2CHNH vinylazine ch2chnh  
747 CH3CHN methylmethaniminyl radical ch3chn  
748 NHCHNH2 aminomethanimine cn2h4  
749 C2H5N Aziridine c2h5n  
750 CH2CHNH2 aminoethene aminoethene  
751 CH2NCH3 N-methylmethanimine nmm  
752 CH3CHNH ethanimine ethanimine  
753 NH2BHNH2 diaminoborane nh2bhnh2  
754 C2H5NH+ Protonated Aziridine c2h5nh+  
755 C2H6N+ aziridine, protonated c2h6n+  
756 NH2CH2NH2 diaminomethane nh2ch2nh2  
757 CH3CH2NH2 Ethylamine etam  
758 CH3NHCH3 Dimethylamine ch3nhch3  
759 CH3PHCH3 dimethylphosphine ch3phch3  
760 NH2CH2NH3+ diaminoethane, protonated pdam  
761 (CH3)2NH2+ dimethylammonium cation dmam  
762 CH3CH2NH3+ ethylamine, protonated pea  
763 Li2O dilithium oxide li2o  
764 Li2O+ dilithium oxide cation li2o+  
765 Li2S dilithium sulfide li2s  
766 Na2O disodium monoxide na2o  
767 LiO2 Lithium dioxide lio2  
768 CCO Dicarbon monoxide cco  
769 CNO- fulminate cno-  
770 NCO isocyanato radical nco  
771 NCO- cyanate nco-  
772 SCN thiocyanato radical scn  
773 SCN- thiocyanide anion scn-  
774 BO2 Boron dioxide bo2  
775 BO2- Boron dioxide anion bo2-  
776 BO2+ Boron dioxide cation bo2+  
777 N2O Nitrous oxide n2o  
778 N2O- Nitrous oxide anion n2o-  
779 N2O+ Nitrous oxide cation n2o+  
780 NNS Nitrogen sulfide nns  
781 PPO Phosphorus oxide phosphide ppo  
782 CO2- Carbon dioxide anion co2-  
783 CO2+ Carbon dioxide cation co2+  
784 OCS+ Carbonyl sulfide cation cos+  
785 SiO2 silicon dioxide sio2  
786 CS2- Carbon disulfide anion cs2-  
787 CS2+ Carbon disulfide cation cs2+  
788 TiO2 Titanium dioxide tio2  
789 SiS2 Silicon disulfide sis2  
790 GeO2 Germanium dioxide geo2  
791 GeS2 Germanium disulfide ges2  
792 CSe2 Carbon diselenide cse2  
793 SCTe Carbon sulfide Telluride scte  
794 NO2 Nitrogen dioxide no2  
795 NO2- Nitrogen dioxide anion no2-  
796 NO2+ Nitrogen dioxide cation no2+  
797 PO2 Phosphorus dioxide po2  
798 PO2- Phosphorus dioxide anion po2-  
799 PO2+ Phosphorus dioxide cation po2+  
800 AsO2 Aresenic dioxide aso2  
801 O3 Ozone o3  
802 O3- Ozone anion o3-  
803 O3+ Ozone cation o3+  
804 SO2 Sulfur dioxide so2  
805 SO2- Sulfur dioxide anion so2-  
806 SO2+ Sulfur dioxide cation so2+  
807 SSO Disulfur monoxide sso  
808 S3- Sulfur trimer anion s3-  
809 S3+ Sulfur trimer cation s3+  
810 SeO2+ Selenium dioxide cation seo2+  
811 TeO2 Tellurium Dioxide teo2  
812 CS2H+ Carbon disulfide, protonated cs2h+  
813 HCNO fulminic acid hcno  
814 HNCO Isocyanic acid hnco  
815 HOCN cyanic acid hocn  
816 HNCS Isothiocyanic acid hncs  
817 HSCN thiocyanic acid hscn  
818 HCO2- formate anion hco2-  
819 HNNO nitrosoazane hnno  
820 HNNO+ Nitrous oxide, N-protonated hnno+  
821 NNOH+ Nitrous Oxide, O-protonated nnoh+  
822 HCOO formate neutral radical hcoo  
823 HOCO+ Hydrocarboxyl cation hoco+  
824 HNO2 Nitrous acid hno2  
825 HNO2+ nitrous acid cation hno2+  
826 SO2H+ protonated sulfur dioxide so2h+  
827 CH2CO+ Ketene cation ch2co+  
828 HCCOH ethynol hccoh  
829 Be(OH)2 Beryllium hydroxide beo2h2  
830 Mg(OH)2 Magnesium dihydroxide h2mgo2  
831 NH2NO Nitrosamide nh2no  
832 CH2O2 Dioxirane diox  
833 H2COO Dioxymethyl radical h2coo  
834 H2COO+ dioxymethyl cation h2coo+  
835 H2O3 Hydrogen trioxide h2o3  
836 HSSSH trisulfane hsssh  
837 NaOCH3 Sodium methoxide naoch3  
838 CH2BOH hydroxy(methylene)borane ch2boh  
839 BH3CO Borane carbonyl bh3co  
840 CH3BO Borane, methyloxo- ch3bo  
841 CH2CHO Vinyloxy radical ch2cho  
842 CH2COH+ ketene, protonated ch2coh+  
843 CH3CO Acetyl radical ch3co  
844 CH3CO- Acetyl anion ch3co-  
845 CH3CO+ acetyl cation ch3co+  
846 CH2NOH formaldoxime ch2noh  
847 CH3NO nitrosomethane ch3no  
848 CHONH2 formamide formamide  
849 CNOH3 1,2-oxaziridine cnoh3  
850 HOCHNH hydroxymethylimine hochnh  
851 CHSNH2 thioformamide chsnh2  
852 CH2OOH CH2OOH radical ch2ooh  
853 CH3OO methylperoxy radical ch3oo  
854 CH3OO- methylperoxy anion ch3oo-  
855 CH3OO+ methylperoxy cation ch3oo+  
856 CH2CHOH ethenol ch2choh  
857 CH2CHSH Ethenethiol ch2chsh  
858 H2CONH2+ protonated formamide h2conh2+  
859 NH3CHO+ Formamide, N-Protonated nh3cho+  
860 CH2(OH)2 methanediol ch2o2h2  
861 CH3OOH Methyl peroxide ch3ooh  
862 H2OH2CO water formaldehyde dimer h2oh2co  
863 C2H4OH+ ethylene oxide, protonated c2h4oh+  
864 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
865 CH3CH2O Ethoxy radical ethoxy  
866 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
867 CH3CHOH+ acetaldehyde, protonated ch3choh+  
868 CH3OCH2 methoxymethyl radical ch3och2  
869 NH2CH2OH aminomethanol nh2ch2oh  
870 CH3CH2OH Ethanol etoh  
871 CH3OCH3 Dimethyl ether meome  
872 CH3SCH3+ dimethyl sulfide cation mesme+  
873 CH3SeCH3 dimethylselenide dmse  
874 CH3OHH2O methanol water dimer ch3ohh2o  
875 H2OCH3OH water methanol dimer h2och3oh  
876 CuF2 Copper difluoride cuf2  
877 ZnF2 Zinc difluoride znf2  
878 CNF iso cyanogen fluoride cnf  
879 FCN Cyanogen fluoride fcn  
880 ClCN chlorocyanogen clcn  
881 ICN Cyanogen iodide icn  
882 FBO Boron monofluoride monoxide fbo  
883 BeF2 Beryllium fluoride bef2  
884 MgF2 Magnesium fluoride mgf2  
885 BeCl2 Beryllium chloride becl2  
886 MgCl2 Magnesium dichloride mgcl2  
887 CaCl2 Calcium Chloride cacl2  
888 ZnCl2 Zinc dichloride zncl2  
889 BeBr2 Beryllium bromide bebr2  
890 CaBr2 Calcium dibromide cabr2  
891 CaF2 Calcium difluoride caf2  
892 FCO Carbonyl fluoride fco  
893 FCO+ Carbonyl fluoride cation fco+  
894 ClCO carbonyl monochloride clco  
895 BF2 Boron difluoride radical bf2  
896 FNO Nitrosyl fluoride fno  
897 ClNO Nitrosyl chloride clno  
898 FNS Thionitrosyl fluoride fns  
899 FSN Thiazyl fluoride fsn  
900 OPCl Phosphorus oxychloride opcl  
901 BrNO Nitrosyl bromide brno  
902 INO Nitrosyl iodide ino  
903 CF2- Difluoromethylene anion cf2-  
904 CF2+ Difluoromethylene cation cf2+  
905 CFCl chlorofluoromethylene cfcl  
906 SiF2 Silicon difluoride sif2  
907 SiF2+ Silicon difluoride cation sif2+  
908 CCl2 dichloromethylene ccl2  
909 CCl2- dichloromethylene anion ccl2-  
910 CCl2+ dichloromethylene cation ccl2+  
911 SiCl2 Dichlorosilylene sicl2  
912 GeF2 Germanium difluoride gef2  
913 GeCl2 Germanium dichloride gecl2  
914 CBr2 dibromomethylene cbr2  
915 FOO Dioxygen monofluoride radical foo  
916 FOO+ Fluorine dioxide cation foo+  
917 ClOO chloroperoxy radical cloo  
918 ClOO+ chloroperoxy cation cloo+  
919 OClO Chlorine dioxide oclo  
920 OClO- Chlorine dioxide anion oclo-  
921 OClO+ Chlorine dioxide cation oclo+  
922 ClSO Sulfur chloride oxide clso  
923 ClS2 Sulfur chloride cls2  
924 NF2 Difluoroamino radical nf2  
925 NF2+ Difluoroamino cation nf2+  
926 PF2+ Phosphorus difluoride cation pf2+  
927 FClO chlorosyl fluoride fclo  
928 F2O Difluorine monoxide f2o  
929 ClOF Chlorine hypofluorite clof  
930 SF2- sulfur difluoride anion sf2-  
931 SF2+ sulfur difluoride cation sf2+  
932 Cl2O Dichlorine monoxide cl2o  
933 SCl2 Sulfur dichloride scl2  
934 SeF2 Selenium difluoride sef2  
935 BrOCl Bromine hypochlorite brocl  
936 SeCl2 Selenium Dichloride secl2  
937 SBr2 Sulfur dibromide sbr2  
938 SeBr2 Selenium dibromide sebr2  
939 BrOBr Bromine oxide brobr  
940 F3- trifluoride anion f3-  
941 Cl3- trichloride anion cl3-  
942 Br3- tribromide anion br3-  
943 I3- triiodide i3-  
944 HCCF Fluoroacetylene hccf  
945 HCCF+ fluoroacetylene cation hccf+  
946 HCCCl Chloroacetylene hcccl  
947 HCCBr bromoacetylene hccbr  
948 HFCO formyl fluoride hfco  
949 HFCO+ formyl fluoride cation hfco+  
950 COHCl Formyl chloride cohcl  
951 COHBr Formyl bromide cohbr  
952 BHF2 Difluoroborane bhf2  
953 BHCl2 Borane, dichloro- bhcl2  
954 CHCl2 dichloromethyl radical chcl2  
955 CHF2 difluoromethyl radical chf2  
956 CHBr2 dibromomethyl radical chbr2  
957 HOClO Chlorous acid hoclo  
958 CH2F2 Methane, difluoro- ch2f2  
959 CH2FCl fluorochloromethane ch2fcl  
960 CH2BrF Methane, bromofluoro- ch2fbr  
961 CH2BrCl Methane, bromochloro- ch2clbr  
962 CH2FI fluoroiodomethane ch2fi  
963 CH2ClI chloroiodomethane ch2cli  
964 CH2BrI bromoiodomethane ch2bri  
965 CH2I2 Diiodomethane ch2i2  
966 SiH2Cl2 dichlorosilane sih2cl2  
967 CH2CHF Ethene, fluoro- ch2chf  
968 CH2CHF+ fluoroethene cation ch2chf+  
969 C2H3Cl Ethene, chloro- ch2chcl  
970 C2H3Br vinyl bromide c2h3br  
971 C2H3I Vinyl iodide c2h3i  
972 CH3OCl methyl hypochlorite ch3ocl  
973 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
974 CHClCH3 1-chloroethyl radical chclch3  
975 C2H5F fluoroethane c2h5f  
976 CH3CH2Cl Ethyl chloride c2h5cl  
977 CH3SiFH2 fluoromethylsilane ch3sifh2  
978 C2H5Br Ethyl bromide etbr  
979 C2H5I Ethyl iodide c2h5i  
980 KrF2 Krypton difluoride krf2  
981 XeF2 Xenon difluoride xef2  
982 B4H10 Tetraborane(10) b4h10  
983 C4+ Carbon tetramer cation c4+  
984 C4H2 Diacetylene c4h2  
985 C2H3CCH 1-Buten-3-yne c2h3cch  
986 C4H4 cyclobutadiene cbd  
987 H2CCCCH2 Butatriene h2cccch2  
988 C4H6 Cyclobutene c822355  
989 C4H6 Methylenecyclopropane c6142730  
990 CH2CCHCH3 1,2-Butadiene butad12  
991 CH2CHCHCH2 1,3-Butadiene c106990  
992 CH3CCCH3 2-Butyne c503173  
993 CHCCH2CH3 1-Butyne c107006  
994 CH3CHCHCH2 methylallyl radical c4h7  
995 C4H8 methylcyclopropane mcp  
996 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
997 CH2CHCH2CH3 1-Butene bute1  
998 CH3CHCHCH3 2-Butene, (E)- bute2e  
999 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1000 B(CH3)3 trimethylborane bme3  
1001 Al(CH3)3 trimethyl aluminum tma  
1002 C(CH3)3 Tert-butyl radical tbutyl  
1003 CH2CH(CH3)2 Isobutyl radical isobutyl  
1004 CH3CHCH2CH3 2-Butyl radical butyl2  
1005 CH3CH(CH3)CH3 Isobutane isobutane  
1006 CH3CH2CH2CH3 Butane butane  
1007 SiH(CH3)3 trimethylsilane trimsi  
1008 Li3N trilithium nitride li3n  
1009 C2N2 Cyanogen c2n2  
1010 C2N2+ Cyanogen cation c2n2+  
1011 P4 Phosphorus tetramer p4  
1012 HCCCN Cyanoacetylene hcccn  
1013 HCCCN+ Cyanoacetylene cation hcccn+  
1014 C3H3N acrylonitrile ch2chcn  
1015 C3H3N+ acrylonitrile cation ch2chcn+  
1016 CH3N3 methyl azide ch3n3  
1017 NH2CCNH2 Diaminoacetylene daa  
1018 NH2CH2CN Aminoacetonitrile aan  
1019 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1020 C2H5CN ethyl cyanide c2h5cn  
1021 CH5N3 Guanidine guanidine  
1022 C4H6 Bicyclo[1.1.0]butane c157335  
1023 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1024 CH6N3+ guanidinium ch6n3+  
1025 C3H7N Cyclopropylamine cpram  
1026 CH7N3 triaminomethane tam  
1027 C3H7N Azetidine azet  
1028 C4H8 cyclobutane cbutane  
1029 C2H8N2 Ethylenediamine ethdiam  
1030 CH3NHNHCH3 dimethyl hydrazine dmh  
1031 CH3CH(NH2)CH3 2-Propanamine pram2  
1032 N(CH3)3 Trimethylamine trimeam  
1033 NH2CH2CH2CH3 1-Propanamine pram1  
1034 P(CH3)3 trimethylphosphine tmp  
1035 As(CH3)3 trimethyl arsine tmas  
1036 (CH3)3NH+ protonated trimethyl amine ptma  
1037 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1038 Li2O2 dilithium dioxide li2o2  
1039 Na2O2 disodium dioxide na2o2  
1040 K2O2 dipotassium dioxide k2o2  
1041 C3O Tricarbon monoxide c3o  
1042 B2O2 Diboron dioxide b2o2  
1043 S2N2 Disulfur dinitride s2n2  
1044 CO3 Carbon trioxide co3  
1045 CO3-- carbonate co3--  
1046 CS3-- Carbonotrithioate cs3--  
1047 NO3 Nitrogen trioxide no3  
1048 NO3- nitrate anion no3-  
1049 NO3+ nitrogen trioxide cation no3+  
1050 SO3- Sulfur trioxide anion so3-  
1051 SO3-- Sulfate dianion so3--  
1052 SO3+ Sulfur trioxide cation so3+  
1053 SeO3 selenium trioxide seo3  
1054 TeO3 Tellurium trioxide teo3  
1055 HCO3- bicarbonate anion hco3-  
1056 HNO3 Nitric acid hno3  
1057 HSO3 Hydroxysulfonyl radical hso3  
1058 NH2NO2 nitramide nh2no2  
1059 C2H2CO cyclopropenone c2h2co  
1060 HCCCHO 2-propynal hcccho  
1061 C2H2O2 Ethanedial c2h2o2  
1062 C2H2O2+ Ethanedial cation c2h2o2+  
1063 H2CO3 Carbonic acid h2co3  
1064 H2CS3 thiocarbonic acid h2cs3  
1065 H2NO3+ Nitric Acid, Protonated h2no3+  
1066 H2SO3 Sulfurous acid h2so3  
1067 C2H3NO Nitrosoethylene c2h3no  
1068 HOCH2CN cyanomethanol hoch2cn  
1069 CH3COO- acetate anion ch3coo-  
1070 CH3NO2 Methane, nitro- ch3no2  
1071 CH3ONO Methyl nitrite ch3ono  
1072 NH2COOH Carbamic acid nh2cooh  
1073 H3BO3 Boric acid h3bo3  
1074 H3CO3+ carbonic acid, protonated h3co3+  
1075 C3H4O 2-Propyn-1-ol c107197  
1076 C3H4O allenol c9000071  
1077 C3H4O Cyclopropanone cpone  
1078 C3H4O Methylketene c6004440  
1079 CH2CHCHO Acrolein c3h4o  
1080 NH2CONH2 Urea urea  
1081 NH2CONH2+ Urea cation urea+  
1082 NH2CSNH2 Thiourea thiourea  
1083 C2H4O2 1,3-dioxetane c2h4o2  
1084 CH3COOH Acetic acid ch3cooh  
1085 CH3OCHO methyl formate ch3ocho  
1086 CHOCH2OH hydroxy acetaldehyde haa  
1087 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1088 NH3COOH+ protonated Carbamic acid nh3cooh+  
1089 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1090 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1091 HCOOHH2O Formic acid water dimer hcoohh2o  
1092 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1093 CH3COCH2 Acetonyl radical ch3coch2  
1094 CH3CHNOH Acetaldoxime acetaldoxime  
1095 CH3CONH2 Acetamide acetamide  
1096 HCONHCH3 N-methylformamide nmfa  
1097 CH5N2O+ urea, N-protonated ch4n2o+  
1098 H2NCOHNH2+ urea, protonated ureah+  
1099 C2H5OO ethylperoxy radical c2h5oo  
1100 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1101 C3H5OH Cyclopropanol cproh  
1102 C3H6O 2-Propen-1-ol c107186  
1103 C3H6O Acetone enol enol  
1104 C3H6O Oxetane oxetane  
1105 C3H6O Propylene oxide prox  
1106 CH3COCH3 Acetone acetone  
1107 CH3COCH3- acetone anion ch3coch3-  
1108 C3H6S Thietane thietane  
1109 C3H6S Thiirane, methyl- methiirane  
1110 CH3CSCH3 Thioacetone ch3csch3  
1111 C2H6O2 1,2-Ethanediol ethdiol  
1112 CH3OOCH3 dimethylperoxide dmp  
1113 CH3SOCH3 Dimethyl sulfoxide dmso  
1114 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1115 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1116 CH3COHCH3+ acetone, protonated acetoneh+  
1117 HOCH2CH2NH2 monoethanolamine mea  
1118 C3H7OH 1-Propanol proh  
1119 CH3CHOHCH3 Isopropyl alcohol isoproh  
1120 CH3OC2H5 Ethane, methoxy- etome  
1121 C3H7SH 1-Propanethiol prsh  
1122 CH3CHSHCH3 2-Propanethiol isoprsh  
1123 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1124 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1125 Na2F2 Sodium Fluoride Dimer na2f2  
1126 Na2Cl2 Disodium dichloride na2cl2  
1127 C2F2 difluoroacetylene c2f2  
1128 C2Cl2 dichloroacetylene c2cl2  
1129 C2Cl2+ dichloroacetylene cation c2cl2+  
1130 FNO2 Nitryl fluoride fno2  
1131 FONO Nitrosyl hypofluorite fono  
1132 ClNO2 Nitryl chloride clno2  
1133 ClONO chlorine nitrite clono  
1134 BrONO Bromine nitrite brono  
1135 N2F2 (Z)-Difluorodiazene n2f2_z  
1136 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1137 CF2O Carbonic difluoride f2co  
1138 COFCl Carbonic chloride fluoride cofcl  
1139 CCl2O Phosgene cl2co  
1140 Cl2CS Thiophosgene cl2cs  
1141 COBr2 Carbonic dibromide cobr2  
1142 BF3 Borane, trifluoro- bf3  
1143 BF3- Borane, trifluoro- anion bf3-  
1144 AlF3 Aluminum trifluoride alf3  
1145 BClF2 Chlorodifluoroborane bclf2  
1146 AlF2Cl Aluminum chloride difluoride alclf2  
1147 ScF3 Scandium trifluoride ScF3  
1148 AlFCl2 Aluminum dichloride fluoride alcl2f  
1149 GaF3 Gallium trifluoride gaf3  
1150 AlCl3 Aluminum trichloride alcl3  
1151 GaCl3 Gallium trichloride gacl3  
1152 BBr3 Boron tribromide bbr3  
1153 AlBr3 Aluminum Bromide albr3  
1154 ClO3 Chlorine trioxide clo3  
1155 ClO3- chlorate anion clo3-  
1156 BrO3- Bromate anion bro3-  
1157 CF3 Trifluoromethyl radical cf3  
1158 CF3- Trifluoromethyl anion cf3-  
1159 CF3+ Trifluoromethyl cation cf3+  
1160 SiF3 Silicon trifluoride radical sif3  
1161 SiF3+ Silicon trifluoride cation sif3+  
1162 CCl3 Trichloromethyl radical ccl3  
1163 CCl3- Trichloromethyl anion ccl3-  
1164 CCl3+ Trichloromethyl cation ccl3+  
1165 SiCl3 trichlorosilyl radical sicl3  
1166 SiCl3+ trichlorosilyl cation sicl3+  
1167 CBr3 tribromomethyl radical cbr3  
1168 FOOF Perfluoroperoxide foof  
1169 ClO2F Chloryl fluoride clo2f  
1170 F2SO Thionyl Fluoride f2so  
1171 ClOOCl Dichlorine dioxide cloocl  
1172 FSSF Difluorodisulfane fssf  
1173 S2F2 Thio-thionyl fluoride s2f2  
1174 SOCl2 thionyl chloride socl2  
1175 SeOCl2 selenium oxychloride seocl2  
1176 NF3 Nitrogen trifluoride nf3  
1177 NF3- Nitrogen trifluoride anion nf3-  
1178 NF3+ Nitrogen trifluoride cation nf3+  
1179 PF3 Phosphorus trifluoride pf3  
1180 NCl3 nitrogen trichloride ncl3  
1181 AsF3 Arsenic trifluoride asf3  
1182 PCl3 Phosphorus trichloride pcl3  
1183 SbF3 Antimony Trifluoride sbf3  
1184 AsCl3 Arsenous trichloride ascl3  
1185 SbCl3 Antimony Trichloride sbcl3  
1186 PBr3 Phosphorus tribromide pbr3  
1187 AsBr3 Arsenic tribromide asbr3  
1188 NI3 Nitrogen triiodide ni3  
1189 PI3 Phosphorus triiodide pi3  
1190 ClSSCl Disulfur dichloride s2cl2  
1191 SF3 Sulfur trifluoride sf3  
1192 ClF3 Chlorine trifluoride clf3  
1193 BrF3 Bromine trifluoride brf3  
1194 IF3 iodone trifluoride if3  
1195 HClO3 Chloric Acid hclo3  
1196 CHF3 Methane, trifluoro- chf3  
1197 CHF2Cl difluorochloromethane chf2cl  
1198 CHFCl2 fluorodichloromethane chfcl2  
1199 CDCl3 trichloromethane-d cdcl3  
1200 CHCl3 Chloroform chcl3  
1201 SiHCl3 Trichlorosilane sihcl3  
1202 CHFClBr fluorochlorobromomethane chfclbr  
1203 CHF2I difluoroiodomethane chf2i  
1204 CHFClI fluorochloroiodomethane chfcli  
1205 CHCl2I dichloroiodomethane chcl2i  
1206 CHClBr2 Methane, dibromochloro- chclbr2  
1207 CHBr3 bromoform chbr3  
1208 CHI3 Iodoform chi3  
1209 NF3H+ protonated nitrogen trifluoride nf3h+  
1210 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1211 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1212 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1213 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1214 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1215 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1216 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1217 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1218 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1219 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1220 C2H2Br2 1,1-dibromoethene c2h2br2  
1221 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1222 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1223 CH2FCHO Fluoroacetaldehyde ch2fcho  
1224 CH3COF Acetyl fluoride ch3cof  
1225 CH2ClCHO chloroacetaldehyde ch2clcho  
1226 CH3COCl Acetyl Chloride ch3cocl  
1227 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1228 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1229 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1230 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1231 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1232 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1233 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1234 CH2CFCH3 2-fluoropropene 2fpro  
1235 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1236 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1237 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1238 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1239 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1240 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1241 CH3CHFCH3 2-Fluoropropane prf2  
1242 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1243 CH3CHClCH3 Propane, 2-chloro- prcl2  
1244 CH3CH2CH2Br n-propyl bromide prbr  
1245 CH3CHBrCH3 i-propyl bromide iprbr  
1246 C3H9O+ trimethyl oxonium cation c3h9o+  
1247 B5H9 pentaborane9 b5h9  
1248 C5H5 cyclopentadienyl radical c5h5  
1249 C5H5- cylopentadienyl anion c5h5-  
1250 C5H6 1,3-Cyclopentadiene c542927  
1251 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1252 C5H6 3-Penten-1-yne, (E)- c2004695  
1253 C5H6 3-Penten-1-yne, (Z)- c1574409  
1254 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1255 C5H6 Cyclopropylacetylene c6746947  
1256 C5H6 Propellane propellane  
1257 C5H7 1,3-pentadienyl radical pdyl  
1258 C5H7 cyclopentenyl radical cpyl  
1259 C5H8 1,2-Butadiene, 3-methyl- c598254  
1260 C5H8 1,2-Pentadiene c591957  
1261 C5H8 1,3-Butadiene, 2-methyl- c78795  
1262 C5H8 1,3-Pentadiene, (E)- c2004708  
1263 C5H8 1,3-Pentadiene, (Z)- c1574410  
1264 C5H8 1,4-Pentadiene c591935  
1265 C5H8 1-pentyne a1pentyne  
1266 C5H8 2,3-Pentadiene c591968  
1267 C5H8 Bicyclo[1.1.1]pentane bcp  
1268 C5H8 Cyclobutane, methylene- c1120565  
1269 C5H8 Cyclopentene c142290  
1270 C5H8 Ethenylcyclopropane c693867  
1271 CH3CCCH2CH3 2-Pentyne 2pentyne  
1272 C5H10 1-Butene, 2-methyl- c563462  
1273 C5H10 2-Butene, 2-methyl- c513359  
1274 C5H10 2-Pentene, (E)- c646048  
1275 C5H10 2-Pentene, (Z)- c627203  
1276 C5H10 Cyclopentane c287923  
1277 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1278 CH2CHCH2CH2CH3 1-pentene pentene  
1279 C5H11 2-Methylbut-2-yl radical c4348350  
1280 C5H12 Butane, 2-methyl- buta2  
1281 C5H12 Pentane pentane  
1282 C5H12 Propane, 2,2-dimethyl- neopentane  
1283 Si(CH3)4 tetramethylsilane tms  
1284 N2O3 Dinitrogen trioxide n2o3  
1285 C3H2N2 Malononitrile c3h2n2  
1286 CH2N4 1H-Tetrazole 1htz  
1287 C3H3N2 imidazolyl radical im  
1288 C3H3N2- imidizolyl anion im-  
1289 C2H3N3 1H-1,2,4-Triazole c288880  
1290 C4H4N pyrrolide radical c4h4n  
1291 C4H4N- pyrrolide anion c4h4n-  
1292 C3H4N2 1H-Imidazole 1himidaz  
1293 C3H4N2 1H-Pyrazole 1hpyraz  
1294 C3H4N2 2H-Imidazole imid2h  
1295 C3H4N2 4H-Imidazole imid4h  
1296 C4H5N (E)-2-Butenenitrile c627269  
1297 C4H5N (Z)-2-Butenenitrile c1190767  
1298 C4H5N 2H-pyrrole pyrrole2  
1299 C4H5N 3H-pyrrole pyrrole3  
1300 C4H5N Cyclopropanecarbonitrile c5500210  
1301 C4H5N Pyrrole pyrrole  
1302 CH2CHCH2CN Allylcyanide ch2chch2cn  
1303 C4H6N+ pyrrole, alpha-protonated appyr  
1304 C4H6N+ pyrrole, beta-protonated bppyr  
1305 C4H6N+ pyrrole, protonated ppyr  
1306 C3H6N2 3-Aminopropionitrile c151188  
1307 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1308 CH3CH2CH2CN Butanenitrile c109740  
1309 C5H8 Bicyclo[2.1.0]pentane c185944  
1310 C5H8 Spiropentane c157404  
1311 C4H9N Cyclobutylamine cbam  
1312 C4H9N Pyrrolidine pyrrolidine  
1313 C3H10N2 1,2-Diaminopropane diampr12  
1314 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1315 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1316 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1317 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1318 NH(C2H5)2 diethylamine dea  
1319 NC4H12+ tetramethyl ammonium cation nc4h12+  
1320 C3O2+ Carbon suboxide cation c3o2+  
1321 B2O3 diboron trioxide b2o3  
1322 MgCO3 Magnesium Carbonate mgco3  
1323 BeCO3 Beryllium Carbonate beco3  
1324 CaCO3 Calcium Carbonate caco3  
1325 ONONO Nitrosyl nitrite onono  
1326 PO4--- phosphate po4---  
1327 SO4-- sulfate so4--  
1328 HOONO2 peroxy nitric acid hoono2  
1329 HSO4- bisulfate anion hso4-  
1330 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1331 C3H2O2 Propiolic acid c3h2o2  
1332 CHOCOOH oxo acetic acid oaa  
1333 H2SO4 Sulfuric acid h2so4  
1334 H2SeO4 Selenic acid h2seo4  
1335 C3H3NO Oxazole oxazole  
1336 CH3C(O)OO acetyl peroxy radical ch3coo2  
1337 CH3NO3 Methyl nitrate ch3no3  
1338 H3PO4 Phosphoric Acid h3po4  
1339 C4H4O Furan furan  
1340 C4H4O+ Furan cation furan+  
1341 CH3COCCH 3-butyn-2-one c1423605  
1342 C4H4S Thiophene furans  
1343 C3H4O2 β–Propiolactone beta  
1344 C3H4O2 2-Propenoic acid propenoic2  
1345 C3H4O2 Methyl glyoxal megly  
1346 C3H4O2 propanedial propanedial  
1347 C3H4O2 propenalol propenalol  
1348 HOCHCCHOH allenediol aldiol  
1349 C2H4O3 1,2,3-trioxolane c2h4o3  
1350 C2H4O3 trioxolane124 triox  
1351 HOCH2COOH Hydroxyacetic acid hac  
1352 CH2CHCONH2 Acrylamide c79061  
1353 CH3OCH2CN Methoxyacetonitrile c1738369  
1354 CH5N3S Hydrazinecarbothioamide c79196  
1355 H2NCH2COOH Glycine glycine  
1356 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1357 C4H6O cis-2-butenal butenal2c  
1358 C4H6O Cyclobutanone cbutone  
1359 C4H6O Furan, 2,3-dihydro- furan23h  
1360 C4H6O Furan, 2,5-dihydro- furan25h  
1361 CH2CHOCHCH2 Vinyl ether vinylether  
1362 CHOCHCHCH3 2-Butenal butenal2  
1363 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1364 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1365 CH2CHSCHCH2 Divinyl sulfide divis  
1366 C2H6N2O Urea, methyl- c598505  
1367 C3H6O2 1,3-Dioxolane dioxolane  
1368 CH3CH2COOH Propanoic Acid propanoic  
1369 CH3COOCH3 methyl acetate aame  
1370 HCOOC2H5 Ethyl formate faee  
1371 C2H6O2S Dimethyl sulfone c67710  
1372 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1373 C3H7NO dimethylformamide dmf  
1374 C3H7NO Propanamide propanam  
1375 C2H3OC2H5 Ethene, ethoxy- c109922  
1376 C4H8O Cyclobutanol c2919235  
1377 C4H8O Furan, tetrahydro- thf  
1378 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1379 CH3COCH2CH3 2-Butanone buta2one  
1380 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1381 CHOCH2CH2CH3 Butanal butanal  
1382 C4H8S Thiophene, tetrahydro- tht  
1383 C3H8O2 1,3-Propanediol c504632  
1384 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1385 C3H8O2 Methane, dimethoxy- c109875  
1386 C3H8O2 Propylene glycol c57556  
1387 C3H8S2 1,3-Propanedithiol c109808  
1388 C4H10O 1-Butanol butanol1  
1389 C4H10O 1-Propanol, 2-methyl- c78831  
1390 C4H10O 2-Butanol, (.+/-.)- butanol2  
1391 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1392 C4H10O Ethoxy ethane etoet  
1393 C4H10O Methyl propyl ether meopr  
1394 C4H10O Propane, 2-methoxy- c598538  
1395 C4H10O+ 1-Butanol cation butanol1+  
1396 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1397 C2H5SC2H5 Diethyl sulfide etset  
1398 C4H9SH 1-Butanethiol bush  
1399 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1400 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1401 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1402 FNO3 Fluorine nitrate fno3  
1403 ClONO2 Chlorine nitrate clono2  
1404 BrONO2 Bromine nitrate brono2  
1405 TiCl4 Titanium tetrachloride ticl4  
1406 ClO4- perchlorate anion clo4-  
1407 BF4- tetrafluoroboron anion bf4-  
1408 ClFO3 Perchloryl fluoride clfo3  
1409 SO2F2 Sulfuryl fluoride so2f2  
1410 SO2Cl2 Sulfuryl chloride so2cl2  
1411 F3NO Nitrogen trifluoride oxide f3no  
1412 F3PO Phosphoryl fluoride pf3o  
1413 Cl3PO Phosphoryl chloride pcl3o  
1414 CF4 Carbon tetrafluoride cf4  
1415 CF3Cl Methane, chlorotrifluoro- cf3cl  
1416 SiF4 Silicon tetrafluoride sif4  
1417 CF2Cl2 difluorodichloromethane cf2cl2  
1418 TiF4 Titanium tetrafluoride tif4  
1419 CFCl3 Trichloromonofluoromethane cfcl3  
1420 CF3Br Bromotrifluoromethane cf3br  
1421 GeF4 Germanium tetrafluoride gef4  
1422 CCl4 Carbon tetrachloride ccl4  
1423 CCl4+ Carbon tetrachloride cation ccl4+  
1424 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1425 SiCl4 Silane, tetrachloro- sicl4  
1426 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1427 CF3I trifluoroiodomethane cf3i  
1428 CBrCl3 Methane, bromotrichloro- cbrcl3  
1429 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1430 GeCl4 Germanium Tetrachloride gecl4  
1431 CBr2Cl2 dibromodichloromethane cbr2cl2  
1432 CCl3I trichloroiodomethane ccl3i  
1433 CFBr3 fluorotribromomethane cfbr3  
1434 CFClBrI fluorochlorobromoiodomethane cfclbri  
1435 CBr3Cl tribromochloromethane cbr3cl  
1436 CF2I2 difluorodiiodomethane cf2i2  
1437 CBr4 Carbon tetrabromide cbr4  
1438 CCl2I2 dichlorodiiodomethane ccl2i2  
1439 SiBr4 Silicon tetrabromide sibr4  
1440 CBr3I tribromoiododmethane cbr3i  
1441 GeBr4 Germanium tetrabromide gebr4  
1442 CI4 tetraiodomethane ci4  
1443 SiI4 silicon tetraiodide sii4  
1444 ClOF3 Chlorine trifluoride oxide clof3  
1445 SeF4 Selenium tetrafluoride sef4  
1446 SCl4 Sulfur tetrachloride scl4  
1447 C2HF3 Trifluoroethylene c2hf3  
1448 C2HF3+ Trifluoroethylene cation c2hf3+  
1449 CHClCCl2 Trichloroethylene chclccl2  
1450 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1451 HClO4 perchloric acid hclo4  
1452 HSO3F Fluorosulfonic acid hso3f  
1453 CF3OH trifluoromethanol cf3oh  
1454 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1455 CHClCCHCl 1,3-dichloroallene chclcchcl  
1456 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1457 CHCl2CHO dichloroacetaldehyde chcl2cho  
1458 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1459 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1460 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1461 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1462 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1463 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1464 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1465 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1466 NH3BCl3 Amminetrichloroboron nh3bcl3  
1467 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1468 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1469 C3H5ClO Oxirane, (chloromethyl)- c106898  
1470 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1471 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1472 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1473 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1474 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1475 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1476 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1477 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1478 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1479 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1480 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1481 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1482 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1483 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1484 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1485 C4H9F 1-fluorobutane butaf1  
1486 CH3CHFCH2CH3 2-fluorobutane butaf2  
1487 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1488 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1489 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1490 XeF4 Xenon tetrafluoride xef4  
1491 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1492 NH3BF3 Amminetrifluoroboron nh3bf3  
1493 C6H2 hexatriyne c6h2  
1494 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1495 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1496 C6H4 Benzyne benzyne  
1497 C6H5 phenyl phenyl  
1498 C6H5- phenyl anion phenyl-  
1499 C6H6 1,2,4,5-Hexatetraene ht1245  
1500 C6H6 2,4-Hexadiyne hexadiyne  
1501 C6H6 3,4-Dimethylenecyclobutene cb34m  
1502 C6H6 Benzene benzene  
1503 C6H6 Benzvalene bv  
1504 C6H6 Hexa-1,5-diene-3-yne hdy153  
1505 C6H6 Trimethylenecycopropane tmcp  
1506 C6H6+ Benzene cation c6h6+  
1507 C6H7+ benzene, protonated c6h7+  
1508 C6H8 (E)-hexa-1,3,5-triene c821078  
1509 C6H8 (E)-hexa-2,3,4-triene c59660650  
1510 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1511 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1512 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1513 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1514 C6H8 3-Methylenecyclopentene c930267  
1515 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1516 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1517 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1518 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1519 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1520 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1521 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1522 C6H10 1,5-Hexadiene c592427  
1523 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1524 C6H10 1-Hexyne hexyne1  
1525 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1526 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1527 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1528 C6H10 2-Hexyne c764352  
1529 C6H10 3-Hexyne hexyne3  
1530 C6H10 cyclohexene cyclohexene  
1531 C6H10 Cyclopentene, 1-methyl- c693890  
1532 C6H10 Cyclopentene, 3-methyl- c1120623  
1533 C6H10 Cyclopentene, 4-methyl- c1759815  
1534 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1535 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1536 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1537 C6H12 (E)-2-Hexene e2hexene  
1538 C6H12 (E)-3-methylpent-2-ene c616126  
1539 C6H12 (E)-hex-3-ene e3hexene  
1540 C6H12 (Z)-3-methylpent-2-ene c922623  
1541 C6H12 (Z)-hex-2-ene z2hexene  
1542 C6H12 (Z)-hex-3-ene z3hexene  
1543 C6H12 2,3-dimethylbut-1-ene c563780  
1544 C6H12 2,3-dimethyl-but-2-ene tmeet  
1545 C6H12 3-methylenepentane c760214  
1546 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1547 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1548 C6H12 Cyclohexane cyclohexane  
1549 C6H12 Cyclopentane, methyl- c96377  
1550 C6H12 Ethylcyclobutane c4806615  
1551 C6H12 hex-1-ene hexene1  
1552 C6H14 Butane, 2,2-dimethyl- buta22  
1553 C6H14 Butane, 2,3-dimethyl- buta23  
1554 C6H14 Hexane hexane  
1555 C6H14 Pentane, 2-methyl- penta2  
1556 C6H14 Pentane, 3-methyl- penta3  
1557 C4N2 2-Butynedinitrile c4n2  
1558 C4H2N2 Fumaronitrile c4h2n2  
1559 C2H2N4 sym-tetrazine ttz  
1560 C3H3N3 1,3,5-Triazine triazine135  
1561 CH3N5 5-Aminotetrazole c4418615  
1562 C4H4N2 1,3-Diazine diazine13  
1563 C4H4N2 Pyrazine pyrazine  
1564 C4H4N2 Pyridazine pyridazine  
1565 C4H4N2 Succinonitrile c110612  
1566 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1567 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1568 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1569 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1570 C5H5N E-2,4-pentadienenitrile bdcn  
1571 C5H5N Pyridine pyridine  
1572 B3N3H6 borazine borazine  
1573 C6H6 Fulvene fulvene  
1574 C5H6N+ Pyridinium c5h6n  
1575 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1576 C5H7N (E)-2-Pentenenitrile c26294984  
1577 C5H7N (E)-3-Pentenenitrile c16529661  
1578 C5H7N (Z)-2-Pentenenitrile c25899507  
1579 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1580 C5H7N Cyclobutanecarbonitrile c4426113  
1581 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1582 C5H9N Butanenitrile, 2-methyl- c18936179  
1583 C5H9N Pentanenitrile c110598  
1584 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1585 C6H10 Bicyclo[3.1.0]hexane c285585  
1586 C5H11N Cyclopentanamine cypentam  
1587 C5H11N Piperidine piper  
1588 C4H12N2 1,2-Butanediamine c4426486  
1589 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1590 Li2CO3 Lithium Carbonate li2co3  
1591 Na2CO3 Sodium Carbonate na2co3  
1592 C2O4-- oxalate anion c2o4  
1593 MgSO4 Magnesium Sulfate mgso4  
1594 C2H2O4 Oxalic Acid oxalic  
1595 C2H3NO3 Oxamic acid oxamic  
1596 C4H4O2 2(5H)-Furanone furanone  
1597 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1598 C2H4N2O2 Oxalamide oxalamide  
1599 C2H4N2S2 Ethanedithioamide c79403  
1600 C2H4CO3 Ethylene carbonate etco3  
1601 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1602 C3H4S3 1,3-Dithiolane-2-thione c822388  
1603 C2H4O4 Formic acid dimer fadimer  
1604 C4H5NO 3-Methylisoxazole isox3m  
1605 C4H5NO Isoxazole, 5-methyl- c5765446  
1606 C4H5NS 4-Methylthiazole c693958  
1607 C2H5NO3 Nitric acid, ethyl ester c625581  
1608 C5H6O 2H-Pyran pyran2  
1609 C5H6O 2-methylfuran furan2m  
1610 C5H6O 3-Methylfuran furan3m  
1611 C5H6O Pentadienal pdal  
1612 C5H6S Thiophene, 2-methyl- c554143  
1613 C5H6S Thiophene, 3-methyl- c616444  
1614 C4H6O2 γ–Butyrolactone c96480  
1615 C4H6O2 2,3-Butanedione c431038  
1616 C4H6O2 2-Propenoic acid, methyl ester c96333  
1617 C4H6O2 Crotonic Acid crot  
1618 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1619 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1620 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1621 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1622 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1623 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1624 C4H6OS Vinyl sulfoxide c1115157  
1625 CH6N4S Carbonothioic dihydrazide thiacarb  
1626 C2H6N2O2 (E)-Azodioxymethane c37765154  
1627 C2H6N2O2 Dimethylnitroamine c4164287  
1628 C3H6O3 1,3,5-Trioxane trioxane  
1629 C3H6S3 1,3,5-Trithiane c3h6s3  
1630 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1631 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1632 C4H7NO 2-Pyrrolidinone c616455  
1633 C4H7NO Ethoxyacetonitrile etoaccn  
1634 C4H7NO Methacrylamide c79390  
1635 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1636 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1637 C3H7ONO Propyl nitrite prono  
1638 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1639 CH3CH(NH2)COOH Alanine alanine  
1640 CH3NHCH2COOH Sarcosine sarcosine  
1641 NH2CH2CH2COOH β–alanine betaalanine  
1642 NH2COOC2H5 Urethane urethane  
1643 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1644 C5H8O Cyclopentanone c120923  
1645 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1646 C5H8O Methyl cyclopropyl ketone c765435  
1647 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1648 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1649 NH2CONHC2H5 Urea, ethyl- c625525  
1650 C4H8O2 1,3-Dioxane dioxan13  
1651 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1652 C4H8O2 1,4-Dioxane dioxan14  
1653 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1654 C4H8O2 Ethyl acetate c141786  
1655 C4H8OS s-Ethyl thioacetate c625605  
1656 C3H8O3 1,2,3-Propanetriol glycerin  
1657 C3H8O2S (Methylsulfonyl)ethane c594434  
1658 C4H9NO Butanamide c541355  
1659 C4H9NO Propanamide, 2-methyl- c563837  
1660 C5H10O 2-Butanone, 3-methyl- c563804  
1661 C5H10O 2H-Pyran, tetrahydro- c142687  
1662 C5H10O 2-methylbutyraldehyde 2meba  
1663 C5H10O 2-Pentanone mpk  
1664 C5H10O 3-Pentanone dek  
1665 C5H10O Cyclopentanol c96413  
1666 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1667 C5H10O Pentanal pal  
1668 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1669 C5H10S 3-Ethylthio-1-propene c5296628  
1670 C5H10S Cyclopentanethiol c1679078  
1671 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1672 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1673 C4H10O2 1,1-Dimethoxyethane c534156  
1674 C4H10O2 1,3-Butanediol budiol13  
1675 C4H10O2 1,4-Butanediol budiol14  
1676 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1677 C4H10OS Diethyl sulfoxide c70291  
1678 C4H10S2 1,4-Butanedithiol budisl14  
1679 C4H11NO Diethylhydroxylamine c3710847  
1680 C5H12O 1-Butanol, 2-methyl- c137326  
1681 C5H12O 1-Butanol, 3-methyl- c123513  
1682 C5H12O 1-Pentanol pentanol1  
1683 C5H12O 2-Butanol, 3-methyl- c598754  
1684 C5H12O 2-Pentanol peol2  
1685 C5H12O 3-Pentanol pentan3ol  
1686 C5H12O Butane, 1-methoxy- meobu  
1687 C5H12O Propane, 1-ethoxy- proet  
1688 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1689 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1690 C5H12S 1-Butanethiol, 3-methyl- c541311  
1691 C5H12S 1-Pentanethiol c110667  
1692 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1693 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1694 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1695 C5H12S Butane, 1-(methylthio)- c628295  
1696 C5H12S Ethyl propyl sulfide c4110503  
1697 C5H12S Propane, 2-(ethylthio)- c5145993  
1698 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1699 C4F2 difluorobutadiyne c4f2  
1700 ClCOClCO Oxalyl chloride oxcl  
1701 CF3CN Acetonitrile, trifluoro- cf3cn  
1702 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1703 B2F4 Diboron tetrafluoride b2f4  
1704 B2Cl4 Diboron tetrachloride b2cl4  
1705 C2F4 Tetrafluoroethylene c2f4  
1706 C2F4+ Tetrafluoroethylene cation c2f4+  
1707 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1708 CF2CCl2 difluorodichloroethylene cf2ccl2  
1709 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1710 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1711 C2FCl3 fluorotrichloroethene c2fcl3  
1712 C2Cl4 Tetrachloroethylene c2cl4  
1713 C2Br4 tetrabromoethene c2br4  
1714 CF3OF Trifluoromethylhypofluorite cf3of  
1715 SiF5- silicon pentafluoride anion sif5-  
1716 SOF4 Sulfur tetrafluoride oxide sof4  
1717 PF5 Phosphorus pentafluoride pf5  
1718 AsF5 Arsenic pentafluoride asf5  
1719 PCl5 Phosphorus pentachloride pcl5  
1720 SF5 Sulfur pentafluoride sf5  
1721 SF5+ pentafluoro sulfur cation sf5+  
1722 SbCl5 Antimony pentachloride sbcl5  
1723 BrF5 bromine pentafluoride brf5  
1724 ClF5 chlorinepentafluoride clf5  
1725 IF5 pentafluoroiodine if5  
1726 CF3CHO trifluoroacetaldehyde cf3cho  
1727 CCl3CHO trichloroacetaldehyde ccl3cho  
1728 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1729 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1730 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1731 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1732 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1733 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1734 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1735 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1736 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1737 CF3COOH trifluoroacetic acid cf3cooh  
1738 C4H3ClO Furan, 2-chloro fur2cl  
1739 C4H3ClO Furan,3-chloro fur3cl  
1740 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1741 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1742 C4H8Cl2 1,4-Dichlorobutane c110565  
1743 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1744 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1745 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1746 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1747 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1748 C5H11Cl Pentane, 1-chloro- pencl1  
1749 C4H8O2 Butanoic acid bua  
1750 C6H5CH2 benzyl radical benzyl  
1751 C7H7 cycloheptatrienyl radical c7h7  
1752 C7H7+ cycloheptatrienyl cation c7h7+  
1753 C6H5CH3 toluene toluene  
1754 C7H8 cycloheptatriene cht  
1755 C7H8 Norbornadiene norbor  
1756 C7H8 Quadricyclane qucy  
1757 C7H12 Norbornane nor  
1758 C7H14 cycloheptane c7h14  
1759 C7H16 2-methylhexane 2mhex  
1760 C7H16 3-methylhexane hex3m  
1761 C7H16 heptane heptane  
1762 CH(CN)3 tricyanomethane mecn3  
1763 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1764 C6H7N 2-Methylpyridine mp  
1765 C6H5NH2 aniline aniline  
1766 C6H13N 2-Methylpiperidine pip2m  
1767 C6H13N cyclohexanamine cham  
1768 C6H15N triethylamine tea  
1769 N2O5 Dinitrogen pentoxide n2o5  
1770 C4H2O3 Maleic Anhydride malan  
1771 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1772 C5H4O2 furfural furfural  
1773 C6H5O phenoxy radical phenoxy  
1774 C5H5NO 2(1H)-Pyridinone c72762006  
1775 C5H5NO 2(3H)-Pyridinone c9000048  
1776 C5H5NO 2(5H)-Pyridinone c9000037  
1777 C5H5NO 2-Pyridinol c109104  
1778 C5H5NO 3(2H)-Pyridinone c9000004  
1779 C5H5NO 3(4H)-Pyridinone c9000026  
1780 C5H5NO 3(6H)-Pyridinone c9000015  
1781 C5H5NO 3-Pyridinol c109002  
1782 C5H5NO 4(1H)-Pryidinone c9000060  
1783 C5H5NO 4(3H)-Pryidinone c9000059  
1784 C5H5NO 4-Pyridinol c626642  
1785 C6H5OH phenol phenol  
1786 C6H6O 2,4-Cyclohexadienone c24599573  
1787 C6H6O 2,5-Cyclohexadienone c5664335  
1788 C6H5SH Benzenethiol phsh  
1789 HO2CCHNH2CH2OH Serine serine  
1790 C5H8O2 Acetylacetone acac  
1791 C4H8O2S Sulfolane sulfolane  
1792 C7H10 Norbornene norbornene  
1793 CH(C2H3)3 trivinyl methane tvm  
1794 C6H10O cyclohexanone chexo  
1795 C6H12O hexanal c6h12o  
1796 C6H12O Oxepane oxepane  
1797 C3H7OC3H7 di-n-propyl ether propr  
1798 F2CCCF2 tetrafluoroallene pfa  
1799 CF3COO- trifluoro acetate anion cf3coo-  
1800 CF3COF trifluoroacetyl fluoride cf3cof  
1801 CF3COCl trifluoroacetyl chloride cf3cocl  
1802 PF6 Hexafluorophosphate neutral pf6  
1803 PF6- Hexafluorophosphate ion pf6-  
1804 SeF6 Selenium hexafluoride sef6  
1805 SF5Cl sulfur chloropentafluoride sf5cl  
1806 CF3CHF2 pentafluoroethane cf3chf2  
1807 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1808 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1809 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1810 CCl3CHCl2 pentachloroethane ccl3chcl2  
1811 C6H5F Fluorobenzene bzf  
1812 C6H5Cl chlorobenzene bzcl  
1813 C6H5Br bromobenzene bzbr  
1814 C8H6 Calicene calicene  
1815 C6H5CCH phenylacetylene phac  
1816 C8H6 benzocyclobutadiene bcbd  
1817 C8H6 Pentalene pentalene  
1818 C6H5CHCH2 Styrene styrene  
1819 C8H8 cubane cubane  
1820 C8H8 cyclooctatetraene cot  
1821 C6H5CH2CH3 Ethylbenzene etbz  
1822 CH3C6H4CH3 meta-xylene mxylene  
1823 CH3C6H4CH3 paraxylene pxylene  
1824 C8H14 Bicyclo[2.2.2]octane bico222  
1825 C8H16 cyclooctane cyclooct  
1826 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1827 C8H18 Octane c8h18  
1828 C6H5CN phenyl cyanide phcn  
1829 C6H12N2 Triethylenediamine ted  
1830 C4O4-- squarate dianion c4o4--  
1831 S4N4 Tetrasulfur tetranitride s4n4  
1832 S8 Octasulfur s8  
1833 C6H4O2 parabenzoquinone pbq  
1834 C4H4N2O2 Uracil uracil  
1835 C6H5OCH3 Anisole anisole  
1836 C5H9NO2 Proline proline  
1837 C6H12O2 Methyl pivalate c598981  
1838 C6H12O2 Hexanoic acid hexa  
1839 C4F4 tetrafluorcyclobutadiene c4f4  
1840 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1841 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1842 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1843 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1844 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1845 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1846 C2F6 hexafluoroethane c2f6  
1847 C2Cl6 hexachloroethane c2cl6  
1848 IF7 Iodine heptafluoride if7  
1849 C6H4F2 metadifluorobenzene mdfb  
1850 C6H4F2 orthodifluorobenzene odfb  
1851 C6H4F2 1,4-difluorobenzene pdfb  
1852 C6H4Cl2 1,2-dichlorobenzene dcb12  
1853 C6H4Cl2 1,3-dichlorobenzene dcb13  
1854 C6H4Cl2 1,4-dichlorobenzene dcb14  
1855 C6H5NO nitrosobenzene bzno  
1856 C9H8 Indene indene  
1857 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1858 C9H12 n-propyl benzene prbz  
1859 C9H20 Nonane nonane  
1860 C(CN)4 tetracyanomethane c5n4  
1861 C5H4N4 purine purine  
1862 C8H7N Indole indole  
1863 C3H3N3O3 cyanuric acid cyanuric  
1864 C6H5NO2 Nitrobenzene c6h5no2  
1865 C6H5COOH benzoic acid benzo  
1866 CH3COC6H5 acetophenone acph  
1867 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1868 C3F6 hexafluoropropene c3f6  
1869 C6H3F3 Benzene trifluoride 123 bzf3a  
1870 C8H18O 1-Octanol octanol  
1871 C10H8 Azulene azu  
1872 C10H8 naphthalene naph  
1873 C10H10 bullvalene bullv  
1874 C10H16 adamantane adamantane  
1875 C6N4 Tetracyanoethylene tcne  
1876 C6N4- tetracyanoethylene anion tcne-  
1877 C10H22 Decane decane  
1878 C4F6 perfluorobutadiene c4f6  
1879 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1880 C3F8 perfluoropropane c3f8  
1881 Fe(CO)5 Iron pentacarbonyl ipc  
1882 Fe(C5H5)2 ferrocene fecp2  
1883 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1884 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1885 C12H8 Acenaphthylene acenaph  
1886 C12H8 biphenylene biph  
1887 C12H10 biphenyl biphenyl  
1888 C12H10 Heptalene heptalene  
1889 C6H12O6 Inositol inositol  
1890 C6F6 hexafluorobenzene c6f6  
1891 S2F10 disulphur decafluoride s2f10  
1892 C13H10 Fluorene fluorene  
1893 C14H10 Anthracene anth  
1894 C14H10 Phenanthrene phenanthrene  
1895 C14H14 Bibenzyl bibenzyl  
1896 C12H10N2 azobenzene azobenzene  
1897 C6H5COC6H5 benzophenone benzophenone  
1898 C16H10 Pyrene pyrene  
1899 C18H12 Tetracene tetracene  
1900 C19H16 Triphenylmethane tpm  
1901 C24H12 Coronene coronene  
1902 C60 Buckminsterfullerene c60