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Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
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III.F.1. (I.A.4.)

List of which calculations are completed at CCSD// HF/6-31G* /6-311+G(3df,2p)

Jump to calculations not yet done
count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 H+ Hydrogen atom cation  Kh
3 H2 Hydrogen diatomic 1ΣgD∞h
4 He Helium atom 1SKh
5 Li Lithium atom 2SKh
6 Na Sodium atom 2SKh
7 LiH Lithium Hydride 1ΣC∞v
8 NaH sodium hydride 1ΣC∞v
9 Be Beryllium atom 1SKh
10 Mg Magnesium atom 1SKh
11 BeH beryllium monohydride 2ΣC∞v
12 MgH magnesium monohydride 2ΣC∞v
13 BeH2 beryllium dihydride 1ΣgD∞h
14 MgH2 magnesium dihydride 1ΣgD∞h
15 B Boron atom 2PKh
16 Al Aluminum atom 2PKh
17 BH Boron monohydride 1ΣC∞v
18 AlH aluminum monohydride 1ΣC∞v
19 BH2 boron dihydride 2A1C2v
20 AlH2 aluminum dihydride 2A1C2v
21 BH3 boron trihydride 1A1'D3h
22 AlH3 aluminum trihydride 1A1'D3h
23 C Carbon atom 3P0Kh
24 Si Silicon atom 3PKh
25 CH Methylidyne 2Π1/2C∞v
26 SiH Silylidyne 2ΠC∞v
27 CH2 Methylene 3B1C2v
28 SiH2 silicon dihydride 1A1C2v
29 CH3 Methyl radical 2A1D3h
30 SiH3 Silyl radical 2A1C3v
31 CH4 Methane 1A1Td
32 SiH4 Silane 1A1Td
33 P Phosphorus atom 4SKh
34 NH Imidogen 3Σ-C∞v
35 PH phosphorus monohydride 3Σ-C∞v
36 ND2 Amidogen-d2 2B1C2v
37 NH2 Amino radical 2B1C2v
38 PH2 Phosphino radical 2B1C2v
39 ND3 Ammonia-d3 1A1C3v
40 NH3 Ammonia 1A1C3v
41 PH3 Phosphine 1A1C3v
42 O Oxygen atom 3SKh
43 S Sulfur atom 3PKh
44 DO Hydroxyl-d 2ΠC∞v
45 OH Hydroxyl radical 2ΠC∞v
46 DS Mercapto-d 2ΠC∞v
47 HS Mercapto radical 2ΠC∞v
48 D2O Deuterium oxide 1A1C2v
49 H2O Water 1A1C2v
50 HDO Water-d1 1A1C2v
51 D2S Hydrogen sulfide-d2 1A1C2v
52 H2S Hydrogen sulfide 1A1C2v
53 F Fluorine atom 2PKh
54 Cl Chlorine atom 2PKh
55 DF Hydrofluoric acid-d 1ΣC∞v
56 HF Hydrogen fluoride 1ΣC∞v
57 DCl Hydrochloric acid-d 1ΣC∞v
58 HCl Hydrogen chloride 1ΣC∞v
59 Ne Neon atom 1SKh
60 Ar Argon atom 1SKh
61 Li2 Lithium diatomic 1ΣgD∞v
62 Na2 Sodium diatomic 1ΣgD∞h
63 Mg2 Magnesium diatomic 1ΣgD∞h
64 Al2 Aluminum diatomic 3ΣgD∞h
65 C2 Carbon diatomic 1Σg+D∞h
66 Si2 Silicon diatomic 3ΣgD∞h
67 C2H Ethynyl radical 2ΣC∞v
68 C2H2 Acetylene 1ΣgD∞h
69 C2H3 vinyl 2A'Cs
70 C2H4 Ethylene 1AgD2h
71 C2H5 Ethyl radical 2A'Cs
72 C2H6 Ethane 1A1gD3d
73 CH3SiH3 methyl silane 1A1C3
74 Si2H6 disilane 1EuD3d
75 CN Cyano radical 2ΣC∞v
76 CP Carbon monophosphide 2ΣC∞v
77 SiN Silicon nitride 2ΣC∞v
78 N2 Nitrogen diatomic 1ΣgD∞h
79 PN Phosphorus mononitride 1ΣC∞v
80 P2 Phosphorus diatomic 1ΣgD∞h
81 HCN Hydrogen cyanide 1ΣC∞v
82 HCP Phosphaethyne 1ΣC∞v
83 HPO Hydrogen phosphorus oxide 1A'Cs
84 CH2NH Methanimine 1A'Cs
85 N2H4 Hydrazine 1AC2
86 P2H4 Diphosphine 1AC2
87 CH3NH2 methyl amine 1A'Cs
88 CH3PH2 Methyl phosphine 1A'Cs
89 LiO lithium oxide 2ΣC∞v
90 NaO sodium monoxide 2ΣC∞v
91 BeO beryllium oxide 1ΣC∞v
92 BeS beryllium sulfide 1ΣC∞v
93 MgO magnesium oxide 1Σ+C∞v
94 MgS magnesium sulfide 1ΣC∞v
95 BO boron monoxide 2ΣC∞v
96 AlO Aluminum monoxide 2ΣC∞v
97 BS boron sulfide 2ΣC∞v
98 AlS Aluminum sulfide 2ΣC∞v
99 CO Carbon monoxide 1ΣC∞v
100 CS carbon monosulfide 1ΣC∞v
101 SiO Silicon monoxide 1ΣC∞v
102 SiS silicon monosulfide 1ΣC∞v
103 NO Nitric oxide 2ΠC∞v
104 NS Mononitrogen monosulfide 2ΠC∞v
105 PO Phosphorus monoxide 2ΠC∞v
106 PS phosphorus sulfide 2ΣC∞v
107 O2 Oxygen diatomic 3ΣgD∞h
108 SO Sulfur monoxide 3ΣC∞v
109 S2 Sulfur diatomic 3ΣgD∞h
110 LiOH lithium hydroxide 1ΣC∞v
111 NaOH sodium hydroxide 1ΣC∞v
112 BeOH beryllium monohydroxide 2A'Cs
113 MgOH magnesium hydroxide 2A'Cs
114 HBO Boron hydride oxide 1ΣC∞v
115 HBS hydrogen boron sulfide 1ΣC∞v
116 HCO Formyl radical 2A'Cs
117 HNO Nitrosyl hydride 1A'Cs
118 HO2 Hydroperoxy radical 2A"Cs
119 H2CO Formaldehyde 1A1C2v
120 H2CS Thioformaldehyde 1A1C2v
121 H2O2 Hydrogen peroxide 1AC2
122 H2S2 Disulfane 1AC2
123 CH2OH Hydroxymethyl radical 2AC1
124 CH3O Methoxy radical 2A'C1
125 CH3S thiomethoxy 2A'C3v
126 NH2OH hydroxylamine 1A'Cs
127 CH3OH Methyl alcohol 1A'Cs
128 CH3SH Methanethiol 1A'Cs
129 LiF lithium fluoride 1ΣC∞v
130 LiCl lithium chloride 1ΣC∞v
131 NaF sodium fluoride 1ΣC∞v
132 NaCl Sodium Chloride 1ΣC∞v
133 BeF Beryllium monofluoride 2ΣC∞v
134 BeCl beryllium monochloride 2ΣC∞v
135 MgF Magnesium monofluoride 2ΣC∞v
136 MgCl magnesium monochloride 2ΣC∞v
137 AlF Aluminum monofluoride 1Σ+C∞v
138 BCl boron monochloride 1ΣC∞v
139 CF Fluoromethylidyne 2ΠC∞v
140 CCl carbon monochloride 2ΠC∞v
141 SiF silicon monofluoride 2ΠC∞v
142 SiCl Clorosilylidyne 2ΠC∞v
143 NF nitrogen fluoride 3ΣC∞v
144 PF phosphorus monofluoride 3ΣC∞v
145 PCl phosphorus chloride 3ΣC∞v
146 FO Oxygen monofluoride 2ΠC∞v
147 ClO Monochlorine monoxide 2ΠC∞v
148 SF Monosulfur monofluoride 2ΠC∞v
149 SCl sulfur monochloride 2ΠC∞v
150 F2 Fluorine diatomic 1ΣgD∞h
151 ClF Chlorine monofluoride 1Σ+C∞v
152 Cl2 Chlorine diatomic 1ΣgD∞h
153 HCF Fluoromethylene 1A'Cs
154 HOF Hypofluorous acid 1A'Cs
155 DOCl Hypochlorous acid-d 1A'Cs
156 HOCl hypochlorous acid 1A'Cs
157 CH3F Methyl fluoride 1A1C3v
158 CH3Cl Methyl chloride 1A1C3v
159 SiH3F monofluorosilane 1A1C3v
160 SiH3Cl chlorosilane 1A1C1
161 C3 carbon trimer 1ΣgD∞h
162 C3H3 Propargyl radical 2B1Cs
163 CH2CCH2 allene 1A1D2d
164 CH3CCH propyne 1A'C3v
165 C3H6 Cyclopropane 1A1'D3h
166 CH2CHCH3 Propene 1A'Cs
167 C3H8 Propane 1A1C2v
168 CH3CN Acetonitrile 1A1C3v
169 C2H5N Aziridine 1A'C1
170 CH3CH2NH2 Ethylamine 1A'Cs
171 CH3NHCH3 Dimethylamine 1A'Cs
172 BO2 Boron dioxide 2A'D∞h
173 N2O Nitrous oxide 1ΣC∞v
174 CO2 Carbon dioxide 1ΣgD∞h
175 OCS Carbonyl sulfide 1ΣC∞v
176 SiO2 silicon dioxide 1ΣgD∞h
177 CS2 Carbon disulfide 1ΣgD∞h
178 NO2 Nitrogen dioxide 2A1C2v
179 PO2 Phosphorus dioxide 2A1C2v
180 O3 Ozone 1A1Cs
181 SO2 Sulfur dioxide 1A1C2v
182 SSO Disulfur monoxide 1A'Cs
183 HNCO Isocyanic acid 1A'Cs
184 HNO2 Nitrous acid 1A'Cs
185 CH2CO Ketene 1A1C2v
186 HCOOH Formic acid 1A'Cs
187 C2H4O Ethylene oxide 1A1C2v
188 CH3CHO Acetaldehyde 1A'Cs
189 C2H4S Thiirane 1A1C2v
190 CH3CHS Thioacetaldehyde 1A'C1
191 CH3CH2OH Ethanol 1A'Cs
192 CH3OCH3 Dimethyl ether 1A1C2v
193 CH3CH2SH ethanethiol 1A'Cs
194 CH3SCH3 Dimethyl sulfide 1A1C2v
195 ClCN chlorocyanogen 1ΣC∞v
196 FNO Nitrosyl fluoride 1A'Cs
197 ClNO Nitrosyl chloride 1A'Cs
198 CF2 Difluoromethylene 1A1D∞h
199 CCl2 dichloromethylene 1A1C2v
200 SiCl2 Dichlorosilylene 1A1C2v
201 FOO Dioxygen monofluoride radical 2A"Cs
202 ClOO chloroperoxy radical 2A"Cs
203 OClO Chlorine dioxide 2B1D∞h
204 NF2 Difluoroamino radical 2B1C2v
205 F2O Difluorine monoxide 1A1C2v
206 Cl2O Dichlorine monoxide 1A1C2v
207 BHF2 Difluoroborane 1A1C2v
208 BHCl2 Borane, dichloro- 1A1C2v
209 CH2F2 Methane, difluoro- 1A1C2v
210 CH2Cl2 Methylene chloride 1A1C2v
211 CH2CHF Ethene, fluoro- 1A'Cs
212 C2H3Cl Ethene, chloro- 1A'Cs
213 CH3CH2Cl Ethyl chloride 1A'Cs
214 C2F6 hexafluoroethane 1A1gD3d

Species NOT done yet
count Species Name file name problem
1 D Deuterium atom d  
2 D- Deuterium atom anion d-  
3 D+ Deuterium atom cation d+  
4 H- Hydrogen atom anion h-  
5 D2 Deuterium diatomic d2  
6 H2- hydrogen diatomic anion h2-  
7 H2+ Hydrogen cation h2+  
8 HD Deuterium hydride hd  
9 H3+ hydrogen trimer cation h3+  
10 He- Helium atom anion he-  
11 He+ Helium atom cation he+  
12 HeH Helium hydride heh  
13 HeH+ Helium hydride cation heh+  
14 He2+ helium diatomic cation he2+  
15 Li- Lithium atom anion li-  
16 Li+ Lithium atom cation li+  
17 Na- Sodium atom anion na-  
18 Na+ Sodium atom cation na+  
19 K Potassium atom k  
20 K- Potassium atom anion k-  
21 K+ Potassium atom cation k+  
22 Cu Copper atom cu  
23 Cu- Copper atom anion cu-  
24 Cu+ Copper atom cation cu+  
25 LiH- lithium hydride anion lih-  
26 LiH+ lithium hydride cation lih+  
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 anion be-  
33 Be+ Beryllium atom cation be+  
34 Mg- Magnesium atom anion mg-  
35 Mg+ Magnesium atom cation mg+  
36 Ca Calcium atom ca  
37 Ca- Calcium atom anion ca-  
38 Ca+ Calcium atom cation ca+  
39 Zn Zinc atom zn  
40 Zn- Zinc atom anion zn-  
41 Zn+ Zinc atom cation zn+  
42 BeH- berylium monohydride anion beh-  
43 BeH+ beryllium monohydride cation beh+  
44 MgH- magnesium monohydride anion mgh-  
45 MgH+ magnesium monohydride cation mgh+  
46 CaH Calcium monohydride cah  
47 CaH+ Calcium monohydride cation cah+  
48 TiH Titanium monohydride tih  
49 ZnH Zinc monohydride znh  
50 ZnH+ Zinc, protonated znh+  
51 BeH2+ Beryllium dihydride cation beh2+  
52 CaH2 Calcium Hydride cah2  
53 ZnH2 Zinc hydride znh2  
54 B- Boron atom anion b-  
55 B+ Boron atom cation b+  
56 Al- Aluminum atom anion al-  
57 Al+ Aluminum atom cation al+  
58 Sc Scandium atom sc  
59 Sc+ Scandium cation sc+  
60 Ga Gallium atom ga  
61 Ga- Gallium atom anion ga-  
62 Ga+ Gallium atom cation ga+  
63 BH- boron monohydride anion bh-  
64 BH+ boron monohydride cation bh+  
65 AlH- aluminum monohydride anion alh-  
66 AlH+ aluminum monohydride cation alh+  
67 ScH Scandium monohydride sch  
68 ScH+ Scandium monohydride cation sch+  
69 GaH Gallium monohydride gah  
70 GaH+ Gallium monohydride cation gah+  
71 BH2- boron dihydride anion bh2-  
72 BH2+ Boron dihydride cation bh2+  
73 AlH2- aluminum dihydride anion alh2-  
74 AlH2+ aluminum dihydride cation alh2+  
75 BH3- boron trihydride anion bh3-  
76 BH3+ boron trihydride cation bh3+  
77 AlH3- aluminum trihydride anion alh3-  
78 AlH3+ aluminum trihydride cation alh3+  
79 ScH3 Scandium trihydride sch3  
80 GaH3 Gallium trihydride gah3  
81 BH4 borohydride bh4  
82 BH4- borohydride anion bh4-  
83 AlH4- Aluminum tetrahydride anion alh4-  
84 C- Carbon atom anion c-  
85 C+ Carbon atom cation c+  
86 Si- Silicon atom anion si-  
87 Si+ Silicon atom cation si+  
88 Ti Titanium atom ti  
89 Ti- Titanium atom anion ti-  
90 Ti+ Titanium atom cation ti+  
91 Ge Germanium atom ge  
92 Ge- Germanium anion ge-  
93 Ge+ Germanium cation ge+  
94 Sn Tin atom sn  
95 Sn+ Tin cation sn+  
96 CH- methylidyne anion ch-  
97 CH+ Methylidyne cation ch+  
98 SiH- silicon monohydride anion sih-  
99 SiH+ silicon monohydride cation sih+  
100 GeH germylidene geh  
101 GeH+ Germaniun monohyrdide cation geh+  
102 CH2- methylene anion ch2-  
103 CH2+ methylene cation ch2+  
104 SiH2- silicon dihydride anion sih2-  
105 SiH2+ silicon dihydride cation sih2+  
106 GeH2 germylene geh2  
107 GeH2- germylene anion geh2-  
108 CH3- methyl anion ch3-  
109 CH3+ methyl cation ch3+  
110 SiH3- Silyl anion sih3-  
111 SiH3+ Silyl cation sih3+  
112 GeH3 Germyl radical geh3  
113 GeH3+ germyl cation geh3+  
114 CD4 methane-d4 cd4  
115 CH2D2 methane-d2 ch2d2  
116 CH3D methane-d ch3d  
117 CH4- Methane anion ch4-  
118 CH4+ Methane cation ch4+  
119 CHD3 methane-d3 chd3  
120 SiH2D2 silane-d2 sih2d2  
121 SiH4+ Silane cation sih4+  
122 GeH4 Germane geh4  
123 SnH4 Stannane snh4  
124 SiH5+ Silane, protonated sih5+  
125 N Nitrogen atom n  
126 N- Nitrogen atom anion n-  
127 N+ Nitrogen atom cation n+  
128 P- Phosphorus atom anion p-  
129 P+ Phosphorus atom cation p+  
130 V Vanadium atom v  
131 V+ Vanadium atom cation v+  
132 As Arsenic atomic as  
133 As- Arsenic anion as-  
134 As+ Arsenic cation as+  
135 Sb Antimony atom sb  
136 NH- Imidogen anion nh-  
137 NH+ imidogen cation nh+  
138 PH- phosphorus monohydride anion ph-  
139 PH+ phosphorus monohydride cation ph+  
140 AsH Arsenic monohydride ash  
141 AsH+ Arsenic monohydride cation ash+  
142 SbH Antimony monohydride sbh  
143 NH2- amino anion nh2-  
144 NH2+ Amino cation nh2+  
145 PH2- Phosphino anion ph2-  
146 PH2+ Phosphino cation ph2+  
147 AsH2 Arsenic dihydride ash2  
148 AsH2+ Arsenic dihydride cation ash2+  
149 NH3- Ammonia anion nh3-  
150 NH3+ ammonia cation nh3+  
151 PH3+ Phosphine cation ph3+  
152 AsH3 Arsine ash3  
153 AsH3+ Arsine cation ash3+  
154 SbH3 Stibine sbh3  
155 AsH4+ Arsonium ash4+  
156 NH4 Ammonium radical nh4  
157 NH4+ ammonium cation nh4+  
158 PH4 Phosphoranyl radical ph4  
159 PH4+ phosphonium cation ph4+  
160 O- Oxygen atom anion o-  
161 O+ Oxygen atom cation o+  
162 S- Sulfur atom anion s-  
163 S+ Sulfur atom cation s+  
164 Cr Chromium atom cr  
165 Se Selenium atom se  
166 Se- Selenium atom anion se-  
167 Se+ Selenium atom cation se+  
168 Te Tellurium atom te  
169 Te+ Tellurium atom cation te+  
170 OH- hydroxide anion oh-  
171 OH+ hydoxyl cation oh+  
172 HS- mercapto anion sh-  
173 HS+ sulfur monohydride cation sh+  
174 CrH Chromium hydride crh  
175 CrH+ Chromium hydride cation crh+  
176 HSe Selenium monohydride hse  
177 HSe- selenium monohydride anion hse-  
178 HSe+ selenium monohydride cation hse+  
179 TeH Telluryl radical teh  
180 H2O- water anion h2o-  
181 H2O+ water cation h2o+  
182 H2S- Hydrogen sulfide anion h2s-  
183 H2S+ Hydrogen sulfide cation h2s+  
184 H2Se Hydrogen selenide h2se  
185 H2Se+ Hydrogen selenide cation h2se+  
186 H2Te Hydrogen Telluride h2te  
187 H3O+ hydronium cation h3o+  
188 H3S+ Sulfonium cation h3s+  
189 H3Se+ Hydrogen Selenide, protonated h3se+  
190 F- Fluorine atom anion f-  
191 F+ Fluorine atom cation f+  
192 Cl- Chlorine atom anion cl-  
193 Cl+ Chlorine atom cation cl+  
194 Mn Manganese atom mn  
195 Br Bromine atom br  
196 Br- Bromine atom anion br-  
197 Br+ Bromine atom cation br+  
198 I Iodine atom iodine  
199 I- Iodine atom anion iodine-  
200 I+ Iodine atom cation iodine+  
201 HF- hydrogen fluoride anion hf-  
202 HF+ hydrogen fluoride cation hf+  
203 HCl- hydrogen chloride anion hcl-  
204 HCl+ hydrogen chloride cation hcl+  
205 HBr hydrogen bromide hbr  
206 HBr- hydrogen bromide anion hbr-  
207 HBr+ hydrogen bromide cation hbr+  
208 HI Hydrogen iodide hi  
209 HI+ Hydrogen iodide cation hi+  
210 H2F+ dihydrogen fluoride cation h2f+  
211 H2Cl+ dihydrogen monochloride cation h2cl+  
212 H2Br+ protonated hydrogen bromide h2br+  
213 H2I+ Iodonium h2i+  
214 Ne- Neon atom anion ne-  
215 Ne+ Neon atom cation ne+  
216 Ar- Argon atom anion ar-  
217 Ar+ Argon atom cation ar+  
218 Fe Iron atom fe  
219 Kr Krypton atom kr  
220 Kr+ Krypton cation kr+  
221 Xe Xenon atom xe  
222 HeLi+ Helium Lithium cation heli+  
223 NeH neon hydrogen neh  
224 NeH+ neon hydrogen cation neh+  
225 ArH+ Argon hydride cation arh+  
226 KrH+ Protonated Krypton krh+  
227 XeH+ Xenon, protonated xeh+  
228 H2Ar H2 Ar dimer h2ar  
229 Co Cobalt atom cobalt  
230 Ni Nickel atom ni  
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 anion 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 anion mg2-  
252 Mg2+ magnesium diatomic cation mg2+  
253 Ca2 Calcium diatomic ca2  
254 LiB Lithium boride lib  
255 LiAl Lithium Aluminum lial  
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 anion al2-  
263 Al2+ aluminum diatomic cation al2+  
264 BGa Boron Gallium bga  
265 AlGa Aluminum Gallium alga  
266 Ga2 Gallium diatomic ga2  
267 HBBH Diborane(2) hbbh  
268 LiBH4 Lithium borohydride libh4  
269 B2H4 Diborane(4) D2d b2h4  
270 HBHHBH Diborane(4) C2V hbhhbh  
271 B2H6 Diborane b2h6  
272 B2H6+ Diborane cation b2h6  
273 Al2H6 dialane al2h6  
274 Ga2H6 digallane ga2h6  
275 LiC Lithium Carbide lic  
276 BeC Beryllium Carbide bec  
277 CaC Calcium monocarbide cac  
278 BC boron monocarbide bc  
279 BC- boron monocarbide anion bc-  
280 BC+ boron monocarbide cation bc+  
281 AlC Aluminum carbide alc  
282 BSi Boron silicide bsi  
283 C2- carbon diatomic anion c2-  
284 C2+ carbon diatomic cation c2+  
285 SiC silicon monocarbide sic  
286 SiC- silicon monocarbide anion sic-  
287 SiC+ silicon monocarbide cation sic+  
288 Si2- silcon diatomic anion si2-  
289 Si2+ silcon diatomic cation si2+  
290 GeC Germanium monocarbide gec  
291 SiGe Silicon Germanium sige  
292 Ge2 Germanium diatomic ge2  
293 C2H- Ethynyl anion c2h-  
294 C2H+ Ethynyl cation c2h+  
295 ZnCH2 Zinc methylene znch2  
296 C2H2+ acetylene cation c2h2+  
297 CCH2 vinylidene vinylidene  
298 H2CC- vinylidene anion h2cc-  
299 HCCH- acetylene anion c2h2-  
300 Si2H2 disilyne si2h2  
301 CH3Li methyl lithium ch3li  
302 CuCH3 monomethyl copper cuch3  
303 ZnCH3 Zinc monomethyl znch3  
304 CH2BH methyleneborane ch2bh  
305 C2H3- vinyl anion c2h3-  
306 C2H3+ vinyl cation c2h3+  
307 C2H4- Ethylene anion c2h4-  
308 C2H4+ Ethylene cation c2h4+  
309 CH3CH methylmethylene ch3ch  
310 CH2SiH2 silaethylene ch2sih2  
311 Si2H4 Disilene si2h4  
312 CH3BH2 methylborane ch3bh2  
313 C2H5- Ethyl anion c2h5-  
314 C2H5+ Ethyl cation c2h5+  
315 C2H6+ ethane cation c2h6+  
316 GeH3CH3 methyl germane geh3ch3  
317 C2H7+ Ethane, protonated c2h7+  
318 LiN Lithium Nitride lin  
319 LiN+ Lithium Nitride cation lin+  
320 LiP Lithium monophosphide lip  
321 BeN Beryllium mononitride ben  
322 BeN- Beryllium mononitride anion ben-  
323 BeN+ Beryllium mononitride cation ben+  
324 MgN Magnesium Nitride mgn  
325 BN- boron nitride anion bn-  
326 AlN- aluminum mononitride anion aln-  
327 AlN+ aluminum mononitride cation aln+  
328 BP Boron monophosphide bp  
329 AlP Aluminum monophosphide alp  
330 GaN Gallium mononitride gan  
331 GaP Gallium monophosphide gap  
332 GaAs Gallium arsenide gaas  
333 BN boron nitride bn  
334 BN+ boron nitride cation bn+  
335 AlN Aluminum nitride aln  
336 CN- cyanide anion cn-  
337 CN+ Cyano cation cn+  
338 CP- carbon monophosphide anion cp-  
339 CP+ carbon monophosphide cation cp+  
340 SiN- silicon mononitride anion sin-  
341 SiN+ silicon mononitride cation sin+  
342 SiP Silicon monophosphide sip  
343 SiP- Silicon monophosphide anion sip-  
344 SiP+ Silicon monophosphide cation sip+  
345 TiN Titanium mononitride tin  
346 N2- nitrogen diatomic anion n2-  
347 N2+ diatomic nitrogen cation n2+  
348 PN- phosphorus nitride anion pn-  
349 PN+ phosphorus nitride cation pn+  
350 P2- phosphorus diatomic anion p2-  
351 P2+ phosphorus diatomic cation p2+  
352 AsN Arsenic mononitride asn  
353 AsP Arsenic monophosphide asp  
354 SbN Antimony nitride sbn  
355 As2 Arsenic diatomic as2  
356 HNB hydrogen nitrogen boron hnb  
357 HNC hydrogen isocyanide hnc  
358 HCN- Hydrogen cyanide anion hcn-  
359 HCN+ hydrogen cyanide cation hcn+  
360 HNC+ hydrogen isocyanide cation hnc+  
361 HCP+ Phosphaethyne cation hcp+  
362 NNH Dinitrogen monohydride nnh  
363 NNH+ Dinitrogen monohydride cation nnh+  
364 HPO+ Hydrogen phosphorus oxide cation hpo+  
365 LiNH2 lithium amide linh2  
366 HBNH Boranimine hbnh  
367 CNH2 Aminomethylidyne radical cnh2  
368 CNH2+ N-protonated hydrogen isocyanide cnh2+  
369 H2CN Dihydrogen cyanide radical h2cn  
370 H2CN+ hydrocyanonium cation h2cn+  
371 HCNH methyleneazane hcnh  
372 HCNH+ N-protonated HCN hcnh+  
373 H2NN Isodiazene h2nn  
374 N2H2 (E)-diazene n2h2  
375 N2H2 (Z)-Diazene n2h2z  
376 N2H2+ trans-diazene cation n2h2+  
377 CH2NH+ Methanimine cation ch2nh+  
378 CHNH2 aminomethylene chnh2  
379 CHNH2+ Aminocarbene cation chnh2+  
380 CH2PH Phosphaethene ch3p  
381 BH2NH2 Boranamine bh2nh2  
382 CH2NH2+ methyleneamine cation ch2nh2+  
383 N2H4+ hydrazine cation n2h4+  
384 CH3NH2+ methyl amine cation ch3nh2+  
385 SiH3NH2 Silane, amino sih3nh2  
386 N2H5+ protonated hydrazine n2h5+  
387 BH3PH3 borane phosphine bh3ph3  
388 BH3NH3 borane ammonia bh3nh3  
389 CH3NH3 methyl ammonium radical ch3nh3  
390 CH3NH3+ protonated methylamine ch3nh3+  
391 CH3PH3+ methyl phosphine, protonated ch3ph3+  
392 NH3NH3 Ammonia Dimer nh3nh3  
393 N2H7+ ammonia ammonium dimer n2h7+  
394 LiO- lithium oxide anion lio-  
395 LiO+ lithium oxide cation lio+  
396 LiS Lithium monosulfide lis  
397 LiS+ Lithium sulfide cation lis+  
398 NaO- sodium oxide anion nao-  
399 NaO+ sodium oxide cation nao+  
400 KO Potassium monoxide ko  
401 KO+ Potassium monoxide cation ko+  
402 NaS Sodium sulfide nas  
403 CuO Copper Monoxide cuo  
404 LiSe Lithium monoselenide lise  
405 BeO- Beryllium monoxide anion beo-  
406 BeO+ Beryllium monoxide cation beo+  
407 MgO- magnesium oxide anion mgo-  
408 MgO+ magnesium oxide cation mgo+  
409 CaO Calcium monoxide cao  
410 MgS- magnesium sulfide anion mgs-  
411 MgS+ magnesium sulfide cation mgs+  
412 CaS Calcium sulfide cas  
413 ZnO zinc monoxide zno  
414 ZnS Zinc sulfide zns  
415 BeS- Beryllium monosulfide anion bes-  
416 BeS+ Beryllium monosulfide cation bes+  
417 BO- boron monoxide anion bo-  
418 AlO- Aluminum monoxide anion alo-  
419 AlO+ aluminum monoxide cation alo+  
420 BS- boron monosulfide anion bs-  
421 BS+ boron monosulfide cation bs+  
422 AlS- aluminum monosulfide anion als-  
423 AlS+ aluminum monosulfide cation als+  
424 ScO Scandium monoxide sco  
425 GaO Gallium monoxide gao  
426 GaS Gallium monosulfide gas  
427 BO+ boron monoxide cation bo+  
428 CO- carbon monoxide anion co-  
429 CO+ carbon monoxide cation co+  
430 CS- carbon monosulfide anion cs-  
431 CS+ carbon monosulfide cation cs+  
432 SiO- silicon monoxide anion sio-  
433 SiO+ silicon monoxide cation sio+  
434 SiS- silicon monosulfide anion sis-  
435 SiS+ silicon monosulfide cation sis+  
436 TiO Titanium monoxide tio  
437 CSe Carbon monoselenide cse  
438 CSe- Carbon monoselenide anion cse-  
439 CSe+ Carbon monoselenide cation cse+  
440 GeO Germanium monoxide geo  
441 GeO+ Germanium monoxide cation geo+  
442 GeS Germanium monosulfide ges  
443 SiSe Silicon Monoselenide sise  
444 SiSe+ Silicon Monoselenide cation sise+  
445 GeSe Germanium monoselenide gese  
446 NO- nitric oxide anion no-  
447 NO+ nitric oxide cation no+  
448 NS- nitrogen sulfide anion ns-  
449 NS+ nitrogen sulfide cation ns+  
450 PO- phosphorus monoxide anion po-  
451 PO+ phosphorus monoxide cation po+  
452 PS- phosphorus monosulfide anion ps-  
453 PS+ phosphorus monosulfide cation ps+  
454 VO Vanadium monoxide vo  
455 AsO Arsenic monoxide aso  
456 NSe Nitrogen monoselenide nse  
457 AsS Arsenic monosulfide ass  
458 PSe Phosphorus monoselenide pse  
459 AsSe Arsenic monoselenide asse  
460 O2- oxygen diatomic anion o2-  
461 O2-- dioxygen dianion o2--  
462 O2+ diatomic oxygen cation o2+  
463 SO- sulfur monoxide anion so-  
464 SO+ sulfur monoxide cation so+  
465 S2- sulfur diatomic anion s2-  
466 S2+ sulfur diatomic cation s2+  
467 SeO Selenium monoxide seo  
468 SeO- selenium monoxide anion seo-  
469 SeO+ selenium monoxide cation seo+  
470 SeS Selenium monosulfide ses  
471 SeS- selenium monosulfide anion ses-  
472 SeS+ selenium monosulfide cation ses+  
473 TeO Tellurium monoxide teo  
474 Se2 Selenium diatomic se2  
475 Se2- selenium diatomic anion se2-  
476 Se2+ selenium diatomic cation se2+  
477 Te2 Tellurium diatomic te2  
478 KOH Potassium hydroxide koh  
479 CaOH Calcium monohydroxide caoh  
480 COH Hydroxymethylidyne coh  
481 COH+ Carbon Monoxide, protonated coh+  
482 HCO- formyl anion hco-  
483 HCO+ Formyl cation hco+  
484 HCS Thioformyl radical hcs  
485 HCS- Thioformyl anion hcs-  
486 HCS+ Thioformyl cation hcs+  
487 HNO- Nitrosyl hydride anion hno-  
488 HNO+ Nitrosyl hydride cation hno+  
489 NOH Hydroxyimidogen noh  
490 NOH+ O-protonated nitric oxide noh+  
491 HNS Sulfur imide hns  
492 HNS- Sulfur imide anion hns-  
493 HO2- Hydroperoxy anion ho2-  
494 HO2+ Hydroperoxy cation ho2+  
495 HSO+ Sulfur Monoxide, S-protonated HSO+  
496 SOH Sulfur Hydroxide soh  
497 SOH+ Sulfur Monoxide, protonated soh+  
498 HS2 Thiosulfeno radical hs2  
499 H2CO- formaldehyde anion h2co-  
500 H2CO+ formaldehyde cation h2co+  
501 HOCH hydroxycarbene hoch  
502 H2CS- thioformaldehyde anion h2cs-  
503 H2CS+ thioformaldehyde cation h2cs+  
504 H2CSe Selenoformaldehyde h2cse  
505 H2NO nitroxide h2no  
506 H2O2+ Hydrogen peroxide cation h2o2+  
507 H2OO water oxide h2oo  
508 HOSH hydrogen thioperoxide hosh  
509 H2S2+ hydrogen disulfide cation h2s2+  
510 H2Se2 hydrogen diselenide h2se2  
511 CH2OH+ hydroxymethyl cation ch2oh+  
512 CH3O- methoxy anion ch3o-  
513 CH3O+ Methoxy cation ch3o+  
514 H2CSH+ Thioformaldehyde, protonated h2csh+  
515 NH2OH+ Hydroxylamine cation nh2oh+  
516 NH3O Ammonia Oxide nh3o  
517 H2POH Phosphinous acid h2poh  
518 H3PO Phosphine oxide h3po  
519 NH2SH Thiohydroxylamine nh2sh  
520 NH3S sulfidoazane nh3s  
521 H3O2+ hydrogen peroxide, protonated h3o2+  
522 CH3OH- Methyl alcohol anion ch3oh-  
523 CH3OH+ Methyl alcohol cation ch3oh+  
524 CH3SH+ Methanethiol cation ch3sh+  
525 SiH3OH silanol sih3oh  
526 CH3SeH Methane selenol ch3seh  
527 NH2OH2+ protonated hydroxylamine nh2oh2+  
528 NH3OH+ N-protonated hydroxylamine nh3oh+  
529 H2OH2O water dimer h2oh2o  
530 CH3OH2+ Methanol, protonated ch3oh2+  
531 CH3SH2+ protonated methylsulfide ch3sh2+  
532 H2ONH3 Water Ammonia Dimer h2onh3  
533 H5O2+ Dihydroxonium ion h5o2+  
534 LiCl- lithium chloride anion licl-  
535 LiCl+ lithium chloride cation licl+  
536 NaF- sodium fluoride anion naf-  
537 NaF+ sodium fluoride cation naf+  
538 KF Potassium Fluoride kf  
539 NaCl- sodium chloride anion nacl-  
540 NaCl+ sodium chloride cation nacl+  
541 KCl Potassium Chloride kcl  
542 CuF Copper monofluoride cuf  
543 LiBr Lithium Bromide libr  
544 LiBr- lithium bromide anion libr-  
545 LiBr+ lithium bromide cation libr+  
546 CuCl Copper monochloride cucl  
547 NaBr Sodium Bromide nabr  
548 NaBr- sodium bromide anion nabr-  
549 NaBr+ sodium bromide cation nabr+  
550 KBr Potassium Bromide kbr  
551 LiI Lithium Iodide lii  
552 NaI Sodium Iodide nai  
553 KI Potassium Iodide ki  
554 LiF- lithium fluoride anion lif-  
555 LiF+ lithium fluoride cation lif+  
556 BeF- Beryllium monofluoride anion bef-  
557 BeF+ Beryllium monofluoride cation bef+  
558 MgF- magnesium fluoride anion mgf-  
559 MgF+ magnesium fluoride cation mgf+  
560 CaF Calcium monofluoride caf  
561 MgCl- magnesium monochloride anion mgcl-  
562 MgCl+ magnesium monochloride cation mgcl+  
563 CaCl calcium monochloride cacl  
564 TiCl Titanium Monochloride ticl  
565 ZnF Zinc monofluoride znf  
566 ZnF- Zinc monofluoride anion znf-  
567 ZnF+ Zinc monofluoride cation znf+  
568 ZnCl Zinc monochloride zncl  
569 CaBr Calcium monobromide cabr  
570 BeCl- beryllium monochloride anion becl-  
571 BeCl+ beryllium monochloride cation becl+  
572 BF Boron monofluoride bf  
573 BF- Boron monofluoride anion bf-  
574 BF+ Boron monofluoride cation bf+  
575 AlF- Aluminum monofluoride anion alf-  
576 AlF+ Aluminum monofluoride cation alf+  
577 BCl- boron monochloride anion bcl-  
578 BCl+ boron monochloride cation bcl+  
579 AlCl Aluminum monochloride alcl  
580 AlCl- aluminum monochloride anion alcl-  
581 AlCl+ aluminum monochloride cation alcl+  
582 ScF Scandium monofluoride scf  
583 BBr Boron monobromide bbr  
584 GaF Gallium monofluoride gaf  
585 GaF+ Gallium monofluoride cation gaf+  
586 AlBr Aluminum monobromide albr  
587 GaCl Gallium monochloride gacl  
588 GaCl+ Gallium monochloride cation gacl+  
589 AlI Aluminum monoiodide ali  
590 GaBr Gallium monobromide gabr  
591 CF- carbon monofluoride anion cf-  
592 CF+ carbon monofluoride cation cf+  
593 CCl- carbon monochloride anion ccl-  
594 CCl+ carbon monochloride cation ccl+  
595 SiF- silicon monofluoride anion sif-  
596 SiF+ silicon monofluoride cation sif+  
597 SiCl- silicon monochloride anion sicl-  
598 SiCl+ silicon monochloride cation sicl+  
599 CBr Carbon monobromide cbr  
600 GeF Germanium monofluoride gef  
601 GeF+ Germanium monofluoride cation gef+  
602 GeCl Germanium monochloride gecl  
603 GeCl+ Germanium monochloride cation gecl+  
604 SiBr Silicon monobromide sibr  
605 SiBr+ Silicon monobromide cation sibr+  
606 NF- nitrogen monofluorine anion nf-  
607 NF+ nitrogen monofluoirde cation nf+  
608 NCl nitrogen monochloride ncl  
609 NCl- nitrogen monochloride anion ncl-  
610 NCl+ nitrogen monochloride cation ncl+  
611 PF- phosphorus monofluoride anion pf-  
612 PF+ phosphorus monofluoride cation pf+  
613 PCl- phosphorus monochloride anion pcl-  
614 PCl+ phosphorus monochloride cation pcl+  
615 AsF Arsenic monofluoride asf  
616 NBr nitrogen monobromide nbr  
617 AsCl Arsenic monochloride ascl  
618 PBr Phosphorus monobromide pbr  
619 SbF Antimony monofluoride sbf  
620 SbCl Antimony monochloride sbcl  
621 FO- flourine oxide anion fo-  
622 FO+ fluorine monoxide cation fo+  
623 ClO- chlorine monoxide anion clo-  
624 ClO+ chlorine monoxide cation clo+  
625 SF- sulfur monofluoride anion sf-  
626 SF+ sulfur monofluoride cation sf+  
627 SCl- sulfur monochloride anion scl-  
628 SCl+ sulfur monochloride cation scl+  
629 BrO Bromine monoxide bro  
630 BrO- Bromine monoxide anion bro-  
631 BrO+ Bromine monoxide cation bro+  
632 SeF Selenium monofluoride sef  
633 SBr Sulfur monobromide radical sbr  
634 SBr+ Sulfur monobromide cation sbr+  
635 SeCl Selenium monochloride secl  
636 IO Iodine monoxide io  
637 SeBr Selenium monobromide sebr  
638 BrCl Bromine monochloride brcl  
639 F2- flourine diatomic anion f2-  
640 F2+ flourine diatomic cation f2+  
641 ClF- clorine monofluoride anion clf-  
642 ClF+ clorine monofluoride cation clf+  
643 Cl2- chlorine diatomic anion cl2-  
644 Cl2+ chlorine diatomic cation cl2+  
645 BrF Bromine monofluoride brf  
646 BrF- bromine fluoride anion brf-  
647 BrF+ bromine fluoride cation brf+  
648 BrCl- bromine chloride anion brcl-  
649 BrCl+ bromine chloride cation brcl+  
650 IF Iodine monofluoride if  
651 Br2 Bromine diatomic br2  
652 Br2- bromine diatomic anion br2-  
653 Br2+ bromine diatomic cation br2+  
654 ICl Iodine monochloride icl  
655 IBr Iodine monobromide ibr  
656 I2 Iodine diatomic i2  
657 I2+ Iodine diatomic cation i2+  
658 HCCl Chloromethylene hccl  
659 HSiF fluorosilylene hsif  
660 HSiCl Chlorosilylene hsicl  
661 HSiBr monobromosilylene hsibr  
662 CHBr bromomethylene chbr  
663 HOCl+ hypochlorous acid cation hocl+  
664 HOBr Hypobromous acid hobr  
665 HOBr+ Hypobromous acid cation hobr+  
666 HOI Hypoiodous acid hoi  
667 F2H+ Fluorine, protonated f2h+  
668 FHF Hydrogen difluoride fhf  
669 FHF- Hydrogen difluoride anion fhf-  
670 ClFH+ Chlorine fluoride, F-protonated clfh+  
671 FClH+ Chlorine fluoride, Cl-protonated fclh+  
672 Cl2H+ Chlorine, protonated cl2h+  
673 CH2Br bromomethyl radical ch2br  
674 CH2F fluoromethyl radical ch2f  
675 CH2F+ fluoromethyl cation ch2f+  
676 CH2Cl+ chloromethyl cation ch2cl+  
677 CH2Cl chloromethyl radical ch2cl  
678 NH2F monofluoroamine nh2f  
679 NH2Cl chloramine nh2cl  
680 H2F2 Hydrogen fluoride dimer h2f2  
681 CH3F+ methyl fluoride cation ch3f+  
682 CD3F methylfluoride-d3 cd3f  
683 CD3Cl methyl chloride d3 cd3cl  
684 CH3Cl+ Methyl chloride cation ch3cl+  
685 CH3Br methyl bromide ch3br  
686 GeH3F monofluorogermane geh3f  
687 GeH3Cl monochlorogermane geh3cl  
688 SiH3Br bromosilane sih3br  
689 CH3I methyl iodide ch3i  
690 SiH3I Silyl Iodide sih3i  
691 NH3Cl+ protonated monochloroammonia nh3cl+  
692 CH3ClH+ methyl chloride, protonated ch3clh+  
693 NH4Cl Ammonium chloride nh4cl  
694 LiNe+ Lithium Neon cation line+  
695 Ne2 Neon diatomic ne2  
696 Ne2+ Neon diatomic cation ne2+  
697 Ar2 Argon diatomic ar2  
698 Ar2+ Argon diatomic cation ar2+  
699 Li3 Lithium trimer li3  
700 Li3+ Lithium trimer cation li3+  
701 C3+ carbon trimer cation c3+  
702 SiC2 Silicon dicarbide sic2  
703 C3H3 cyclopropenyl radical cpr  
704 C3H3- Propargyl anion c3h3-  
705 C3H3+ cyclopropenyl cation cpr+  
706 C3H3+ Propargyl cation c3h3+  
707 C3H4 cyclopropene cprop  
708 C3H5 Allyl radical allyl  
709 C3H5+ Allyl cation allyl+  
710 CH3CHCH 1-propenyl radical ch3chch  
711 Zn(CH3)2 dimethyl zinc dmz  
712 C3H7 n-Propyl radical npropyl  
713 C3H7+ cyclopropane, protonated c3h7+  
714 CH3CHCH3 Isopropyl radical isopropyl  
715 CH3CHCH3+ Isopropyl cation prop2yl+  
716 SiH2(CH3)2 dimethylsilane dms  
717 Si3H8 trisilane si3h8  
718 LiCN lithium cyanide licn  
719 NaCN Sodium Cyanide nacn  
720 KCN Potassium cyanide kcn  
721 CuCN Copper cyanide cucn  
722 ZnCN Zinc monocyanide zncn  
723 ZnNC Zinc isocyanide znnc  
724 AlCN Aluminum monocyanide alcn  
725 AlNC Aluminum isocyanide alnc  
726 CN2 3H-Diazirin-3-ylidene cn2  
727 CNN Diazocarbene cnn  
728 NCN Cyanoimidogen ncn  
729 N3 azide radical n3  
730 N3- azide anion n3-  
731 N3+ azide cation n3+  
732 HCCN cyanomethylene hccn  
733 HCNN diazomethyl radical hcnn  
734 HN3 hydrogen azide hn3  
735 HN3+ Hydrazoic acid cation hn3+  
736 HNCNH diiminomethane hncnh  
737 CH2N2 diazirine ch2n2  
738 CH2NN diazomethane ch2nn  
739 NH2CN cyanamide cyanamide  
740 HNNNH+ 1,2-Triazadienium n2h3+  
741 NH2NN+ hydrazoic acid, protonated nh2nn+  
742 CH3CN- acetonitrile anion ch3cn-  
743 CH3CN+ Acetonitrile cation ch3cn+  
744 CH3NC methyl isocyanide ch3nc  
745 CHNCH2 2H-Azirine c157164  
746 CHNHCH 1H-Azirine chnhch  
747 H2CCNH Ethenimine ch2cnh  
748 H2CNCH methyleneaminomethylene ch2nch  
749 HCCNH2 Ethynamine hccnh2  
750 HCNCH2+ 2H-Azirine cation hcnch2+  
751 HNCNH2+ diiminomethane, protonated hncnh2+  
752 NCNH3+ Cyanamide, protonated ncnh3+  
753 NH2CNH+ cyanamide, cn protonated nh2cnh+  
754 NH3CN+ cyanamide, amine protonated nh3cn+  
755 CH2CHNH vinylazine ch2chnh  
756 CH3CHN methylmethaniminyl radical ch3chn  
757 NHCHNH2 aminomethanimine cn2h4  
758 CH2CHNH2 aminoethene aminoethene  
759 CH2NCH3 N-methylmethanimine nmm  
760 CH3CHNH ethanimine ethanimine  
761 NH2BHNH2 diaminoborane nh2bhnh2  
762 C2H5NH+ Protonated Aziridine c2h5nh+  
763 C2H6N+ aziridine, protonated c2h6n+  
764 NH2CH2NH2 diaminomethane nh2ch2nh2  
765 CH3PHCH3 dimethylphosphine ch3phch3  
766 NH2CH2NH3+ diaminoethane, protonated pdam  
767 (CH3)2NH2+ dimethylammonium cation dmam  
768 CH3CH2NH3+ ethylamine, protonated pea  
769 Li2O dilithium oxide li2o  
770 Li2O+ dilithium oxide cation li2o+  
771 Li2S dilithium sulfide li2s  
772 Na2O disodium monoxide na2o  
773 Na2S Sodium sulfide na2s  
774 LiO2 Lithium dioxide lio2  
775 NaO2 Sodium superoxide nao2  
776 CCO Dicarbon monoxide cco  
777 CNO- fulminate cno-  
778 NCO isocyanato radical nco  
779 NCO- cyanate nco-  
780 SCN thiocyanato radical scn  
781 SCN- thiocyanide anion scn-  
782 BO2- Boron dioxide anion bo2-  
783 BO2+ Boron dioxide cation bo2+  
784 N2O- Nitrous oxide anion n2o-  
785 N2O+ Nitrous oxide cation n2o+  
786 NNS Nitrogen sulfide nns  
787 PPO Phosphorus oxide phosphide ppo  
788 CO2- Carbon dioxide anion co2-  
789 CO2+ Carbon dioxide cation co2+  
790 OCS+ Carbonyl sulfide cation cos+  
791 CS2- Carbon disulfide anion cs2-  
792 CS2+ Carbon disulfide cation cs2+  
793 TiO2 Titanium dioxide tio2  
794 SiS2 Silicon disulfide sis2  
795 GeO2 Germanium dioxide geo2  
796 OCSe Carbonyl selenide ocse  
797 SCSe Carbon sulfide selenide scse  
798 GeS2 Germanium disulfide ges2  
799 CSe2 Carbon diselenide cse2  
800 SCTe Carbon sulfide Telluride scte  
801 NO2- Nitrogen dioxide anion no2-  
802 NO2+ Nitrogen dioxide cation no2+  
803 NSO sulfinyl amidogen NSO  
804 PO2- Phosphorus dioxide anion po2-  
805 PO2+ Phosphorus dioxide cation po2+  
806 SNO Nitrogen oxide sulfide sno  
807 AsO2 Aresenic dioxide aso2  
808 O3- Ozone anion o3-  
809 O3+ Ozone cation o3+  
810 SO2- Sulfur dioxide anion so2-  
811 SO2+ Sulfur dioxide cation so2+  
812 S3 Sulfur trimer s3  
813 S3- Sulfur trimer anion s3-  
814 S3+ Sulfur trimer cation s3+  
815 SeO2 Selenium dioxide seo2  
816 SeO2+ Selenium dioxide cation seo2+  
817 TeO2 Tellurium Dioxide teo2  
818 HCCO ketenyl radical ketenyl  
819 CS2H+ Carbon disulfide, protonated cs2h+  
820 HCNO fulminic acid hcno  
821 HOCN cyanic acid hocn  
822 HNCS Isothiocyanic acid hncs  
823 HSCN thiocyanic acid hscn  
824 HCO2- formate anion hco2-  
825 HNNO nitrosoazane hnno  
826 HNNO+ Nitrous oxide, N-protonated hnno+  
827 NNOH+ Nitrous Oxide, O-protonated nnoh+  
828 HCOO formate neutral radical hcoo  
829 HOCO Hydrocarboxyl radical hoco  
830 HOCO+ Hydrocarboxyl cation hoco+  
831 HNO2+ nitrous acid cation hno2+  
832 O3H+ protonated ozone o3h+  
833 SO2H+ protonated sulfur dioxide so2h+  
834 C2H2O Oxirene oxirene  
835 CH2CO+ Ketene cation ch2co+  
836 HCCOH ethynol hccoh  
837 CH2CS Thioketene ch2cs  
838 Be(OH)2 Beryllium hydroxide beo2h2  
839 Mg(OH)2 Magnesium dihydroxide h2mgo2  
840 NH2NO Nitrosamide nh2no  
841 CH2O2 Dioxirane diox  
842 H2COO Dioxymethyl radical h2coo  
843 H2COO+ dioxymethyl cation h2coo+  
844 H2O3 Hydrogen trioxide h2o3  
845 HSSSH trisulfane hsssh  
846 NaOCH3 Sodium methoxide naoch3  
847 CH2BOH hydroxy(methylene)borane ch2boh  
848 BH3CO Borane carbonyl bh3co  
849 CH3BO Borane, methyloxo- ch3bo  
850 CH2CHO Vinyloxy radical ch2cho  
851 CH2COH+ ketene, protonated ch2coh+  
852 CH3CO Acetyl radical ch3co  
853 CH3CO- Acetyl anion ch3co-  
854 CH3CO+ acetyl cation ch3co+  
855 CH2NOH formaldoxime ch2noh  
856 CH3NO nitrosomethane ch3no  
857 CHONH2 formamide formamide  
858 CNOH3 1,2-oxaziridine cnoh3  
859 HOCHNH hydroxymethylimine hochnh  
860 CHSNH2 thioformamide chsnh2  
861 NHCHSH Methanimidothioic acid nhchsh  
862 CH2OOH CH2OOH radical ch2ooh  
863 CH3OO methylperoxy radical ch3oo  
864 CH3OO- methylperoxy anion ch3oo-  
865 CH3OO+ methylperoxy cation ch3oo+  
866 C2H4O+ ethylene oxide cation c2h4o+  
867 CH2CHOH ethenol ch2choh  
868 CH3CHO+ acetaldehyde cation ch3cho+  
869 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
870 CH2CHSH Ethenethiol ch2chsh  
871 H2CONH2+ protonated formamide h2conh2+  
872 NH2CHOH+ Formamide, O-protonated nh2choh+  
873 NH3CHO+ Formamide, N-Protonated nh3cho+  
874 CH2(OH)2 methanediol ch2o2h2  
875 CH3OOH Methyl peroxide ch3ooh  
876 CH3SSH Hydrogen methyl disulfide ch3ssh  
877 HSCH2SH Methanedithiol ch4s2  
878 H2OH2CO water formaldehyde dimer h2oh2co  
879 C2H4OH+ ethylene oxide, protonated c2h4oh+  
880 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
881 CH3CH2O Ethoxy radical ethoxy  
882 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
883 CH3CHOH+ acetaldehyde, protonated ch3choh+  
884 CH3OCH2 methoxymethyl radical ch3och2  
885 NH2CH2OH aminomethanol nh2ch2oh  
886 CH3SCH3+ dimethyl sulfide cation mesme+  
887 CH3SeCH3 dimethylselenide dmse  
888 CH3OHH2O methanol water dimer ch3ohh2o  
889 H2OCH3OH water methanol dimer h2och3oh  
890 CuF2 Copper difluoride cuf2  
891 ZnF2 Zinc difluoride znf2  
892 CNF iso cyanogen fluoride cnf  
893 FCN Cyanogen fluoride fcn  
894 BrCN Cyanogen bromide brcn  
895 ICN Cyanogen iodide icn  
896 FBO Boron monofluoride monoxide fbo  
897 BeF2 Beryllium fluoride bef2  
898 MgF2 Magnesium fluoride mgf2  
899 BeCl2 Beryllium chloride becl2  
900 MgCl2 Magnesium dichloride mgcl2  
901 CaCl2 Calcium Chloride cacl2  
902 ZnCl2 Zinc dichloride zncl2  
903 BeBr2 Beryllium bromide bebr2  
904 CaBr2 Calcium dibromide cabr2  
905 CaF2 Calcium difluoride caf2  
906 FCO Carbonyl fluoride fco  
907 FCO+ Carbonyl fluoride cation fco+  
908 ClCO carbonyl monochloride clco  
909 BF2 Boron difluoride radical bf2  
910 FNS Thionitrosyl fluoride fns  
911 FSN Thiazyl fluoride fsn  
912 OPCl Phosphorus oxychloride opcl  
913 BrNO Nitrosyl bromide brno  
914 INO Nitrosyl iodide ino  
915 CF2- Difluoromethylene anion cf2-  
916 CF2+ Difluoromethylene cation cf2+  
917 CFCl chlorofluoromethylene cfcl  
918 SiF2 Silicon difluoride sif2  
919 SiF2+ Silicon difluoride cation sif2+  
920 CCl2- dichloromethylene anion ccl2-  
921 CCl2+ dichloromethylene cation ccl2+  
922 GeF2 Germanium difluoride gef2  
923 GeCl2 Germanium dichloride gecl2  
924 CBr2 dibromomethylene cbr2  
925 FOO+ Fluorine dioxide cation foo+  
926 ClOO+ chloroperoxy cation cloo+  
927 OClO- Chlorine dioxide anion oclo-  
928 OClO+ Chlorine dioxide cation oclo+  
929 ClSO Sulfur chloride oxide clso  
930 ClS2 Sulfur chloride cls2  
931 BrOO Bromine dioxide broo  
932 OBrO Bromine dioxide radical obro  
933 NF2+ Difluoroamino cation nf2+  
934 PF2 Phosphorus difluoride pf2  
935 PF2+ Phosphorus difluoride cation pf2+  
936 FClO chlorosyl fluoride fclo  
937 ClOF Chlorine hypofluorite clof  
938 SF2 sulfur difluoride sf2  
939 SF2- sulfur difluoride anion sf2-  
940 SF2+ sulfur difluoride cation sf2+  
941 SCl2 Sulfur dichloride scl2  
942 SeF2 Selenium difluoride sef2  
943 BrOCl Bromine hypochlorite brocl  
944 SeCl2 Selenium Dichloride secl2  
945 SBr2 Sulfur dibromide sbr2  
946 SeBr2 Selenium dibromide sebr2  
947 BrOBr Bromine oxide brobr  
948 F3- trifluoride anion f3-  
949 Cl3- trichloride anion cl3-  
950 Br3- tribromide anion br3-  
951 I3- triiodide i3-  
952 SFCl Sulfur chloride fluoride sfcl  
953 HCCF Fluoroacetylene hccf  
954 HCCF+ fluoroacetylene cation hccf+  
955 HCCCl Chloroacetylene hcccl  
956 HCCBr bromoacetylene hccbr  
957 HFCO formyl fluoride hfco  
958 HFCO+ formyl fluoride cation hfco+  
959 COHCl Formyl chloride cohcl  
960 COHBr Formyl bromide cohbr  
961 CHCl2 dichloromethyl radical chcl2  
962 CHF2 difluoromethyl radical chf2  
963 CHF2+ difluoromethyl cation chf2+  
964 CHFCl Chlorofluoromethyl radical chfcl  
965 CHFCl+ Chlorofluoromethyl cation chfcl+  
966 CHCl2+ dichloromethyl cation chcl2+  
967 CHBr2 dibromomethyl radical chbr2  
968 HOClO Chlorous acid hoclo  
969 NHF2 difluoramine nhf2  
970 NHCl2 dichloroamine nhcl2  
971 CH2FCl fluorochloromethane ch2fcl  
972 SiH2F2 difluorosilane sih2f2  
973 CH2BrF Methane, bromofluoro- ch2fbr  
974 CH2BrCl Methane, bromochloro- ch2clbr  
975 CH2FI fluoroiodomethane ch2fi  
976 CH2Br2 dibromomethane ch2br2  
977 CH2ClI chloroiodomethane ch2cli  
978 CH2BrI bromoiodomethane ch2bri  
979 CH2I2 Diiodomethane ch2i2  
980 SiH2Cl2 dichlorosilane sih2cl2  
981 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
982 CH2CHF+ fluoroethene cation ch2chf+  
983 C2H3Br vinyl bromide c2h3br  
984 C2H3I Vinyl iodide c2h3i  
985 CH2FOH fluoromethanol ch2foh  
986 CH3OCl methyl hypochlorite ch3ocl  
987 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
988 CHClCH3 1-chloroethyl radical chclch3  
989 C2H5F fluoroethane c2h5f  
990 CH3SiFH2 fluoromethylsilane ch3sifh2  
991 C2H5Br Ethyl bromide etbr  
992 C2H5I Ethyl iodide c2h5i  
993 KrF2 Krypton difluoride krf2  
994 XeF2 Xenon difluoride xef2  
995 B4H10 Tetraborane(10) b4h10  
996 C4 Carbon tetramer c4  
997 C4+ Carbon tetramer cation c4+  
998 C4H2 Diacetylene c4h2  
999 C4H2+ diacetlyene cation c4h2+  
1000 C2H3CCH 1-Buten-3-yne c2h3cch  
1001 C4H4 cyclobutadiene cbd  
1002 C4H4 Tetrahedrane c4h4  
1003 H2CCCCH2 Butatriene h2cccch2  
1004 C4H6 1-Methylcyclopropene c3100047  
1005 C4H6 Cyclobutene c822355  
1006 C4H6 Methylenecyclopropane c6142730  
1007 CH2CCHCH3 1,2-Butadiene butad12  
1008 CH2CHCHCH2 1,3-Butadiene c106990  
1009 CH3CCCH3 2-Butyne c503173  
1010 CHCCH2CH3 1-Butyne c107006  
1011 CH3CHCHCH2 methylallyl radical c4h7  
1012 C4H8 methylcyclopropane mcp  
1013 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1014 CH2CHCH2CH3 1-Butene bute1  
1015 CH3CHCHCH3 2-Butene, (E)- bute2e  
1016 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1017 B(CH3)3 trimethylborane bme3  
1018 Al(CH3)3 trimethyl aluminum tma  
1019 C(CH3)3 Tert-butyl radical tbutyl  
1020 CH2CH(CH3)2 Isobutyl radical isobutyl  
1021 CH3CHCH2CH3 2-Butyl radical butyl2  
1022 CH3CH(CH3)CH3 Isobutane isobutane  
1023 CH3CH2CH2CH3 Butane butane  
1024 SiH(CH3)3 trimethylsilane trimsi  
1025 Li3N trilithium nitride li3n  
1026 C2N2 Cyanogen c2n2  
1027 C2N2+ Cyanogen cation c2n2+  
1028 P4 Phosphorus tetramer p4  
1029 As4 Arsenic tetramer as4  
1030 HCCCN Cyanoacetylene hcccn  
1031 HCCCN+ Cyanoacetylene cation hcccn+  
1032 H2CNCN cyanamide, methylene ch2ncn  
1033 HNCCNH Ethenediimine hnccnh  
1034 C3H3N acrylonitrile ch2chcn  
1035 C3H3N+ acrylonitrile cation ch2chcn+  
1036 CH3N3 methyl azide ch3n3  
1037 NH2CCNH2 Diaminoacetylene daa  
1038 NH2CH2CN Aminoacetonitrile aan  
1039 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1040 C2H5CN ethyl cyanide c2h5cn  
1041 CH5N3 Guanidine guanidine  
1042 C4H6 Bicyclo[1.1.0]butane c157335  
1043 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1044 H2NCHCHNH2 diaminoethylene dae  
1045 CH6N3+ guanidinium ch6n3+  
1046 C3H7N Cyclopropylamine cpram  
1047 CH7N3 triaminomethane tam  
1048 C3H7N Azetidine azet  
1049 C4H8 cyclobutane cbutane  
1050 C2H8N2 Ethylenediamine ethdiam  
1051 CH3NHNHCH3 dimethyl hydrazine dmh  
1052 CH3CH(NH2)CH3 2-Propanamine pram2  
1053 N(CH3)3 Trimethylamine trimeam  
1054 NH2CH2CH2CH3 1-Propanamine pram1  
1055 P(CH3)3 trimethylphosphine tmp  
1056 N(SiH3)3 trisilylamine tsa  
1057 As(CH3)3 trimethyl arsine tmas  
1058 (CH3)3NH+ protonated trimethyl amine ptma  
1059 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1060 Li2O2 dilithium dioxide li2o2  
1061 Na2O2 disodium dioxide na2o2  
1062 K2O2 dipotassium dioxide k2o2  
1063 C3O Tricarbon monoxide c3o  
1064 B2O2 Diboron dioxide b2o2  
1065 ONNO NO dimer onno  
1066 S2N2 Disulfur dinitride s2n2  
1067 CO3 Carbon trioxide co3  
1068 CO3-- carbonate co3--  
1069 CS3-- Carbonotrithioate cs3--  
1070 NO3 Nitrogen trioxide no3  
1071 NO3- nitrate anion no3-  
1072 NO3+ nitrogen trioxide cation no3+  
1073 SO3 Sulfur trioxide so3  
1074 SO3- Sulfur trioxide anion so3-  
1075 SO3-- Sulfate dianion so3--  
1076 SO3+ Sulfur trioxide cation so3+  
1077 SeO3 selenium trioxide seo3  
1078 S4 Sulfur tetramer s4  
1079 TeO3 Tellurium trioxide teo3  
1080 HCO3- bicarbonate anion hco3-  
1081 HNO3 Nitric acid hno3  
1082 HSO3 Hydroxysulfonyl radical hso3  
1083 NH2NO2 nitramide nh2no2  
1084 C2H2CO cyclopropenone c2h2co  
1085 C3H2O Propadienal c3h2o  
1086 HCCCHO 2-propynal hcccho  
1087 C2H2O2 Ethanedial c2h2o2  
1088 C2H2O2+ Ethanedial cation c2h2o2+  
1089 H2CO3 Carbonic acid h2co3  
1090 H2CS3 thiocarbonic acid h2cs3  
1091 H2NO3+ Nitric Acid, Protonated h2no3+  
1092 H2SO3 Sulfurous acid h2so3  
1093 C2H3NO Nitrosoethylene c2h3no  
1094 CH3NCO methylisocyante ch3nco  
1095 HOCH2CN cyanomethanol hoch2cn  
1096 CH3COO- acetate anion ch3coo-  
1097 CH3NO2 Methane, nitro- ch3no2  
1098 CH3ONO Methyl nitrite ch3ono  
1099 NH2COOH Carbamic acid nh2cooh  
1100 H3BO3 Boric acid h3bo3  
1101 H3AlO3 Aluminum hydroxide h3alo3  
1102 H3CO3+ carbonic acid, protonated h3co3+  
1103 C3H4O 2-Propyn-1-ol c107197  
1104 C3H4O allenol c9000071  
1105 C3H4O Cyclopropanone cpone  
1106 C3H4O Methylketene c6004440  
1107 CH2CHCHO Acrolein c3h4o  
1108 NH2CONH2 Urea urea  
1109 NH2CONH2+ Urea cation urea+  
1110 NH2CSNH2 Thiourea thiourea  
1111 C2H4O2 1,3-dioxetane c2h4o2  
1112 CH3COOH Acetic acid ch3cooh  
1113 CH3OCHO methyl formate ch3ocho  
1114 CHOCH2OH hydroxy acetaldehyde haa  
1115 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1116 NH3COOH+ protonated Carbamic acid nh3cooh+  
1117 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1118 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1119 HCOOHH2O Formic acid water dimer hcoohh2o  
1120 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1121 CH3COCH2 Acetonyl radical ch3coch2  
1122 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1123 CH3C(OH)=NH Ethaninidic acid eia  
1124 CH3CHNOH Acetaldoxime acetaldoxime  
1125 CH3CONH2 Acetamide acetamide  
1126 HCONHCH3 N-methylformamide nmfa  
1127 CH3CSNH2 Ethanethioamide ch3csnh2  
1128 CH5N2O+ urea, N-protonated ch4n2o+  
1129 H2NCOHNH2+ urea, protonated ureah+  
1130 C2H5OO ethylperoxy radical c2h5oo  
1131 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1132 C3H5OH Cyclopropanol cproh  
1133 C3H6O 2-Propen-1-ol c107186  
1134 C3H6O Acetone enol enol  
1135 C3H6O Oxetane oxetane  
1136 C3H6O Propylene oxide prox  
1137 CH3CH2CHO Propanal propanal  
1138 CH3COCH3 Acetone acetone  
1139 CH3COCH3- acetone anion ch3coch3-  
1140 C3H6S Thietane thietane  
1141 C3H6S Thiirane, methyl- methiirane  
1142 CH3CSCH3 Thioacetone ch3csch3  
1143 C2H6O2 1,2-Ethanediol ethdiol  
1144 CH3OOCH3 dimethylperoxide dmp  
1145 CH3SOCH3 Dimethyl sulfoxide dmso  
1146 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1147 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1148 CH3COHCH3+ acetone, protonated acetoneh+  
1149 HOCH2CH2NH2 monoethanolamine mea  
1150 C3H7OH 1-Propanol proh  
1151 CH3CHOHCH3 Isopropyl alcohol isoproh  
1152 CH3OC2H5 Ethane, methoxy- etome  
1153 C3H7SH 1-Propanethiol prsh  
1154 CH3CHSHCH3 2-Propanethiol isoprsh  
1155 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1156 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1157 Li2F2 Lithium fluoride dimer li2f2  
1158 Na2F2 Sodium Fluoride Dimer na2f2  
1159 Na2Cl2 Disodium dichloride na2cl2  
1160 C2F2 difluoroacetylene c2f2  
1161 C2Cl2 dichloroacetylene c2cl2  
1162 C2Cl2+ dichloroacetylene cation c2cl2+  
1163 FNO2 Nitryl fluoride fno2  
1164 FONO Nitrosyl hypofluorite fono  
1165 ClNO2 Nitryl chloride clno2  
1166 ClONO chlorine nitrite clono  
1167 BrONO Bromine nitrite brono  
1168 N2F2 (Z)-Difluorodiazene n2f2_z  
1169 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1170 CF2O Carbonic difluoride f2co  
1171 CF2O+ Carbonic difluoride cation f2co+  
1172 COFCl Carbonic chloride fluoride cofcl  
1173 CCl2O Phosgene cl2co  
1174 Cl2CS Thiophosgene cl2cs  
1175 COBr2 Carbonic dibromide cobr2  
1176 BF3 Borane, trifluoro- bf3  
1177 BF3- Borane, trifluoro- anion bf3-  
1178 BF3+ boron trifluoride cation bf3+  
1179 AlF3 Aluminum trifluoride alf3  
1180 BClF2 Chlorodifluoroborane bclf2  
1181 AlF2Cl Aluminum chloride difluoride alclf2  
1182 ScF3 Scandium trifluoride ScF3  
1183 AlFCl2 Aluminum dichloride fluoride alcl2f  
1184 BCl3 Borane, trichloro- bcl3  
1185 BCl3+ Boron Trichloride cation bcl3+  
1186 GaF3 Gallium trifluoride gaf3  
1187 AlCl3 Aluminum trichloride alcl3  
1188 GaCl3 Gallium trichloride gacl3  
1189 BBr3 Boron tribromide bbr3  
1190 AlBr3 Aluminum Bromide albr3  
1191 ClO3 Chlorine trioxide clo3  
1192 ClO3- chlorate anion clo3-  
1193 BrO3- Bromate anion bro3-  
1194 CF3 Trifluoromethyl radical cf3  
1195 CF3- Trifluoromethyl anion cf3-  
1196 CF3+ Trifluoromethyl cation cf3+  
1197 CF2Cl difluorochloromethyl radical cf2cl  
1198 SiF3 Silicon trifluoride radical sif3  
1199 SiF3+ Silicon trifluoride cation sif3+  
1200 CFCl2 dichlorofluoromethyl radical cfcl2  
1201 CCl3 Trichloromethyl radical ccl3  
1202 CCl3- Trichloromethyl anion ccl3-  
1203 CCl3+ Trichloromethyl cation ccl3+  
1204 SiCl3 trichlorosilyl radical sicl3  
1205 SiCl3+ trichlorosilyl cation sicl3+  
1206 CBr3 tribromomethyl radical cbr3  
1207 FOOF Perfluoroperoxide foof  
1208 ClO2F Chloryl fluoride clo2f  
1209 F2SO Thionyl Fluoride f2so  
1210 ClOOCl Dichlorine dioxide cloocl  
1211 FSSF Difluorodisulfane fssf  
1212 S2F2 Thio-thionyl fluoride s2f2  
1213 SOCl2 thionyl chloride socl2  
1214 SSCl2 Thiothionyl chloride sscl2  
1215 SeOCl2 selenium oxychloride seocl2  
1216 NF3 Nitrogen trifluoride nf3  
1217 NF3- Nitrogen trifluoride anion nf3-  
1218 NF3+ Nitrogen trifluoride cation nf3+  
1219 PF3 Phosphorus trifluoride pf3  
1220 NCl3 nitrogen trichloride ncl3  
1221 AsF3 Arsenic trifluoride asf3  
1222 PCl3 Phosphorus trichloride pcl3  
1223 SbF3 Antimony Trifluoride sbf3  
1224 AsCl3 Arsenous trichloride ascl3  
1225 SbCl3 Antimony Trichloride sbcl3  
1226 NBr3 Nitrogen Tribromide nbr3  
1227 PBr3 Phosphorus tribromide pbr3  
1228 AsBr3 Arsenic tribromide asbr3  
1229 NI3 Nitrogen triiodide ni3  
1230 PI3 Phosphorus triiodide pi3  
1231 ClSSCl Disulfur dichloride s2cl2  
1232 SF3 Sulfur trifluoride sf3  
1233 ClF3 Chlorine trifluoride clf3  
1234 BrF3 Bromine trifluoride brf3  
1235 IF3 iodone trifluoride if3  
1236 HClO3 Chloric Acid hclo3  
1237 CHF3 Methane, trifluoro- chf3  
1238 CHF2Cl difluorochloromethane chf2cl  
1239 SiHF3 trifluorosilane sihf3  
1240 CHFCl2 fluorodichloromethane chfcl2  
1241 CDCl3 trichloromethane-d cdcl3  
1242 CHCl3 Chloroform chcl3  
1243 CHBrF2 Methane, bromodifluoro- chbrf2  
1244 SiHCl3 Trichlorosilane sihcl3  
1245 CHFClBr fluorochlorobromomethane chfclbr  
1246 CHBrCl2 Methane, bromodichloro- chbrcl2  
1247 CHF2I difluoroiodomethane chf2i  
1248 CHBr2F dibromofluoromethane chbr2f  
1249 CHFClI fluorochloroiodomethane chfcli  
1250 CHCl2I dichloroiodomethane chcl2i  
1251 CHClBr2 Methane, dibromochloro- chclbr2  
1252 CHBr3 bromoform chbr3  
1253 CHI3 Iodoform chi3  
1254 NF3H+ protonated nitrogen trifluoride nf3h+  
1255 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1256 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1257 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1258 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1259 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1260 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1261 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1262 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1263 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1264 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1265 C2H2Br2 1,1-dibromoethene c2h2br2  
1266 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1267 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1268 CH2FCHO Fluoroacetaldehyde ch2fcho  
1269 CH3COF Acetyl fluoride ch3cof  
1270 CH2ClCHO chloroacetaldehyde ch2clcho  
1271 CH3COCl Acetyl Chloride ch3cocl  
1272 C2H4F2 1,2-difluoroethane c2h4f2  
1273 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1274 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1275 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1276 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1277 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1278 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1279 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1280 CH2CFCH3 2-fluoropropene 2fpro  
1281 CH2CHCH2F Allyl Fluoride allylf  
1282 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1283 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1284 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1285 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1286 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1287 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1288 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1289 CH2FCH2CH3 1-Fluoropropane prf1  
1290 CH3CHFCH3 2-Fluoropropane prf2  
1291 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1292 CH3CHClCH3 Propane, 2-chloro- prcl2  
1293 CH3CH2CH2Br n-propyl bromide prbr  
1294 CH3CHBrCH3 i-propyl bromide iprbr  
1295 C3H9O+ trimethyl oxonium cation c3h9o+  
1296 B5H9 pentaborane9 b5h9  
1297 C5H4 pentatetraene ptrene  
1298 C5H5 cyclopentadienyl radical c5h5  
1299 C5H5- cylopentadienyl anion c5h5-  
1300 C5H6 1,3-Cyclopentadiene c542927  
1301 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1302 C5H6 3-Penten-1-yne, (E)- c2004695  
1303 C5H6 3-Penten-1-yne, (Z)- c1574409  
1304 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1305 C5H6 Cyclopropylacetylene c6746947  
1306 C5H6 Propellane propellane  
1307 C5H7 1,3-pentadienyl radical pdyl  
1308 C5H7 cyclopentenyl radical cpyl  
1309 C5H8 1,2-Butadiene, 3-methyl- c598254  
1310 C5H8 1,2-Pentadiene c591957  
1311 C5H8 1,3-Butadiene, 2-methyl- c78795  
1312 C5H8 1,3-Pentadiene, (E)- c2004708  
1313 C5H8 1,3-Pentadiene, (Z)- c1574410  
1314 C5H8 1,4-Pentadiene c591935  
1315 C5H8 1-pentyne a1pentyne  
1316 C5H8 2,3-Pentadiene c591968  
1317 C5H8 Bicyclo[1.1.1]pentane bcp  
1318 C5H8 Cyclobutane, methylene- c1120565  
1319 C5H8 Cyclopentene c142290  
1320 C5H8 Ethenylcyclopropane c693867  
1321 CH3CCCH2CH3 2-Pentyne 2pentyne  
1322 C5H10 1-Butene, 2-methyl- c563462  
1323 C5H10 2-Butene, 2-methyl- c513359  
1324 C5H10 2-Pentene, (E)- c646048  
1325 C5H10 2-Pentene, (Z)- c627203  
1326 C5H10 Cyclopentane c287923  
1327 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1328 CH2CHCH2CH2CH3 1-pentene pentene  
1329 C5H11 2-Methylbut-2-yl radical c4348350  
1330 C5H12 Butane, 2-methyl- buta2  
1331 C5H12 Pentane pentane  
1332 C5H12 Propane, 2,2-dimethyl- neopentane  
1333 Si(CH3)4 tetramethylsilane tms  
1334 N2O3 Dinitrogen trioxide n2o3  
1335 C3H2N2 Malononitrile c3h2n2  
1336 CH2N4 1H-Tetrazole 1htz  
1337 C3H3N2 imidazolyl radical im  
1338 C3H3N2- imidizolyl anion im-  
1339 C2H3N3 1H-1,2,4-Triazole c288880  
1340 C4H4N pyrrolide radical c4h4n  
1341 C4H4N- pyrrolide anion c4h4n-  
1342 C3H4N2 1H-Imidazole 1himidaz  
1343 C3H4N2 1H-Pyrazole 1hpyraz  
1344 C3H4N2 2H-Imidazole imid2h  
1345 C3H4N2 4H-Imidazole imid4h  
1346 C4H5N (E)-2-Butenenitrile c627269  
1347 C4H5N (Z)-2-Butenenitrile c1190767  
1348 C4H5N 2H-pyrrole pyrrole2  
1349 C4H5N 3H-pyrrole pyrrole3  
1350 C4H5N Cyclopropanecarbonitrile c5500210  
1351 C4H5N Pyrrole pyrrole  
1352 CH2CHCH2CN Allylcyanide ch2chch2cn  
1353 C4H6N+ pyrrole, alpha-protonated appyr  
1354 C4H6N+ pyrrole, beta-protonated bppyr  
1355 C4H6N+ pyrrole, protonated ppyr  
1356 C3H6N2 3-Aminopropionitrile c151188  
1357 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1358 CH3CH2CH2CN Butanenitrile c109740  
1359 C5H8 Bicyclo[2.1.0]pentane c185944  
1360 C5H8 Spiropentane c157404  
1361 C4H9N Cyclobutylamine cbam  
1362 C4H9N Pyrrolidine pyrrolidine  
1363 C3H10N2 1,2-Diaminopropane diampr12  
1364 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1365 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1366 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1367 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1368 NH(C2H5)2 diethylamine dea  
1369 NC4H12+ tetramethyl ammonium cation nc4h12+  
1370 C3O2 Carbon suboxide c3o2  
1371 C3O2+ Carbon suboxide cation c3o2+  
1372 B2O3 diboron trioxide b2o3  
1373 MgCO3 Magnesium Carbonate mgco3  
1374 BeCO3 Beryllium Carbonate beco3  
1375 CaCO3 Calcium Carbonate caco3  
1376 ONONO Nitrosyl nitrite onono  
1377 PO4--- phosphate po4---  
1378 SO4-- sulfate so4--  
1379 HOONO2 peroxy nitric acid hoono2  
1380 HSO4- bisulfate anion hso4-  
1381 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1382 C3H2O2 Propiolic acid c3h2o2  
1383 CHOCOOH oxo acetic acid oaa  
1384 CHOOCHO diformyl ether choocho  
1385 H2SO4 Sulfuric acid h2so4  
1386 H2SeO4 Selenic acid h2seo4  
1387 C3H3NO Isoxazole isox  
1388 C3H3NO Oxazole oxazole  
1389 C3H3NS Thiazole thiazole  
1390 CH3C(O)OO acetyl peroxy radical ch3coo2  
1391 CH3NO3 Methyl nitrate ch3no3  
1392 H3PO4 Phosphoric Acid h3po4  
1393 C4H4O Furan furan  
1394 C4H4O+ Furan cation furan+  
1395 CH3COCCH 3-butyn-2-one c1423605  
1396 C4H4S Thiophene furans  
1397 C4H4Se selenophene c4h4se  
1398 C3H4O2 β–Propiolactone beta  
1399 C3H4O2 2-Propenoic acid propenoic2  
1400 C3H4O2 Methyl glyoxal megly  
1401 C3H4O2 propanedial propanedial  
1402 C3H4O2 propenalol propenalol  
1403 HOCHCCHOH allenediol aldiol  
1404 C2H4O3 1,2,3-trioxolane c2h4o3  
1405 C2H4O3 trioxolane124 triox  
1406 HOCH2COOH Hydroxyacetic acid hac  
1407 CH2CHCONH2 Acrylamide c79061  
1408 CH3OCH2CN Methoxyacetonitrile c1738369  
1409 CH5N3S Hydrazinecarbothioamide c79196  
1410 H2NCH2COOH Glycine glycine  
1411 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1412 C4H6O cis-2-butenal butenal2c  
1413 C4H6O Cyclobutanone cbutone  
1414 C4H6O Furan, 2,3-dihydro- furan23h  
1415 C4H6O Furan, 2,5-dihydro- furan25h  
1416 CH2CHOCHCH2 Vinyl ether vinylether  
1417 CHOCHCHCH3 2-Butenal butenal2  
1418 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1419 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1420 CH2CHSCHCH2 Divinyl sulfide divis  
1421 C2H6N2O Urea, methyl- c598505  
1422 C3H6O2 1,3-Dioxolane dioxolane  
1423 CH3CH2COOH Propanoic Acid propanoic  
1424 CH3COOCH3 methyl acetate aame  
1425 HCOOC2H5 Ethyl formate faee  
1426 C2H6O2S Dimethyl sulfone c67710  
1427 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1428 C3H7NO dimethylformamide dmf  
1429 C3H7NO Propanamide propanam  
1430 C2H3OC2H5 Ethene, ethoxy- c109922  
1431 C4H8O Cyclobutanol c2919235  
1432 C4H8O Furan, tetrahydro- thf  
1433 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1434 CH3COCH2CH3 2-Butanone buta2one  
1435 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1436 CHOCH2CH2CH3 Butanal butanal  
1437 C4H8S Thiophene, tetrahydro- tht  
1438 C3H8O2 1,3-Propanediol c504632  
1439 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1440 C3H8O2 Methane, dimethoxy- c109875  
1441 C3H8O2 Propylene glycol c57556  
1442 C3H8S2 1,3-Propanedithiol c109808  
1443 C4H10O 1-Butanol butanol1  
1444 C4H10O 1-Propanol, 2-methyl- c78831  
1445 C4H10O 2-Butanol, (.+/-.)- butanol2  
1446 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1447 C4H10O Ethoxy ethane etoet  
1448 C4H10O Methyl propyl ether meopr  
1449 C4H10O Propane, 2-methoxy- c598538  
1450 C4H10O+ 1-Butanol cation butanol1+  
1451 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1452 C2H5SC2H5 Diethyl sulfide etset  
1453 C4H9SH 1-Butanethiol bush  
1454 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1455 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1456 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1457 FNO3 Fluorine nitrate fno3  
1458 ClONO2 Chlorine nitrate clono2  
1459 BrONO2 Bromine nitrate brono2  
1460 TiCl4 Titanium tetrachloride ticl4  
1461 ClO4- perchlorate anion clo4-  
1462 BF4- tetrafluoroboron anion bf4-  
1463 ClFO3 Perchloryl fluoride clfo3  
1464 SO2F2 Sulfuryl fluoride so2f2  
1465 SO2Cl2 Sulfuryl chloride so2cl2  
1466 F3NO Nitrogen trifluoride oxide f3no  
1467 F3PO Phosphoryl fluoride pf3o  
1468 Cl3PO Phosphoryl chloride pcl3o  
1469 CF4 Carbon tetrafluoride cf4  
1470 CF3Cl Methane, chlorotrifluoro- cf3cl  
1471 SiF4 Silicon tetrafluoride sif4  
1472 CF2Cl2 difluorodichloromethane cf2cl2  
1473 TiF4 Titanium tetrafluoride tif4  
1474 CFCl3 Trichloromonofluoromethane cfcl3  
1475 CF3Br Bromotrifluoromethane cf3br  
1476 GeF4 Germanium tetrafluoride gef4  
1477 CCl4 Carbon tetrachloride ccl4  
1478 CCl4+ Carbon tetrachloride cation ccl4+  
1479 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1480 SiCl4 Silane, tetrachloro- sicl4  
1481 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1482 CF3I trifluoroiodomethane cf3i  
1483 CBrCl3 Methane, bromotrichloro- cbrcl3  
1484 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1485 GeCl4 Germanium Tetrachloride gecl4  
1486 CBr2ClF dibromochlorofluoromethane cbr2clf  
1487 CBr2Cl2 dibromodichloromethane cbr2cl2  
1488 CCl3I trichloroiodomethane ccl3i  
1489 CFBr3 fluorotribromomethane cfbr3  
1490 CFClBrI fluorochlorobromoiodomethane cfclbri  
1491 CBr3Cl tribromochloromethane cbr3cl  
1492 CF2I2 difluorodiiodomethane cf2i2  
1493 CBr4 Carbon tetrabromide cbr4  
1494 CCl2I2 dichlorodiiodomethane ccl2i2  
1495 SiBr4 Silicon tetrabromide sibr4  
1496 CBr3I tribromoiododmethane cbr3i  
1497 GeBr4 Germanium tetrabromide gebr4  
1498 CI4 tetraiodomethane ci4  
1499 SiI4 silicon tetraiodide sii4  
1500 ClOF3 Chlorine trifluoride oxide clof3  
1501 SF4 Sulfur tetrafluoride sf4  
1502 SeF4 Selenium tetrafluoride sef4  
1503 SCl4 Sulfur tetrachloride scl4  
1504 C2HF3 Trifluoroethylene c2hf3  
1505 C2HF3+ Trifluoroethylene cation c2hf3+  
1506 CHClCCl2 Trichloroethylene chclccl2  
1507 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1508 HClO4 perchloric acid hclo4  
1509 HSO3F Fluorosulfonic acid hso3f  
1510 CF3OH trifluoromethanol cf3oh  
1511 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1512 CHClCCHCl 1,3-dichloroallene chclcchcl  
1513 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1514 CHCl2CHO dichloroacetaldehyde chcl2cho  
1515 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1516 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1517 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1518 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1519 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1520 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1521 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1522 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1523 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1524 NH3BCl3 Amminetrichloroboron nh3bcl3  
1525 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1526 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1527 C3H5ClO Oxirane, (chloromethyl)- c106898  
1528 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1529 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1530 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1531 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1532 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1533 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1534 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1535 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1536 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1537 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1538 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1539 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1540 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1541 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1542 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1543 C4H9F 1-fluorobutane butaf1  
1544 CH3CHFCH2CH3 2-fluorobutane butaf2  
1545 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1546 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1547 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1548 XeF4 Xenon tetrafluoride xef4  
1549 C2H2N2O Furazan furazan  
1550 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1551 NH3BF3 Amminetrifluoroboron nh3bf3  
1552 C6H2 hexatriyne c6h2  
1553 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1554 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1555 C6H4 Benzyne benzyne  
1556 C6H5 phenyl phenyl  
1557 C6H5- phenyl anion phenyl-  
1558 C6H6 Prismane prismane  
1559 C6H6 1,2,4,5-Hexatetraene ht1245  
1560 C6H6 2,4-Hexadiyne hexadiyne  
1561 C6H6 3,4-Dimethylenecyclobutene cb34m  
1562 C6H6 Benzene benzene  
1563 C6H6 Benzvalene bv  
1564 C6H6 Dewar Benzene dewar  
1565 C6H6 Hexa-1,5-diene-3-yne hdy153  
1566 C6H6 Trimethylenecycopropane tmcp  
1567 C6H6+ Benzene cation c6h6+  
1568 C6H7+ benzene, protonated c6h7+  
1569 C6H8 (E)-hexa-1,3,5-triene c821078  
1570 C6H8 (E)-hexa-2,3,4-triene c59660650  
1571 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1572 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1573 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1574 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1575 C6H8 3-Methylenecyclopentene c930267  
1576 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1577 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1578 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1579 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1580 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1581 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1582 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1583 C6H10 1,5-Hexadiene c592427  
1584 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1585 C6H10 1-Hexyne hexyne1  
1586 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1587 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1588 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1589 C6H10 2-Hexyne c764352  
1590 C6H10 3-Hexyne hexyne3  
1591 C6H10 cyclohexene cyclohexene  
1592 C6H10 Cyclopentene, 1-methyl- c693890  
1593 C6H10 Cyclopentene, 3-methyl- c1120623  
1594 C6H10 Cyclopentene, 4-methyl- c1759815  
1595 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1596 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1597 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1598 C6H12 (E)-2-Hexene e2hexene  
1599 C6H12 (E)-3-methylpent-2-ene c616126  
1600 C6H12 (E)-hex-3-ene e3hexene  
1601 C6H12 (Z)-3-methylpent-2-ene c922623  
1602 C6H12 (Z)-hex-2-ene z2hexene  
1603 C6H12 (Z)-hex-3-ene z3hexene  
1604 C6H12 2,3-dimethylbut-1-ene c563780  
1605 C6H12 2,3-dimethyl-but-2-ene tmeet  
1606 C6H12 3-methylenepentane c760214  
1607 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1608 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1609 C6H12 Cyclohexane cyclohexane  
1610 C6H12 Cyclopentane, methyl- c96377  
1611 C6H12 Ethylcyclobutane c4806615  
1612 C6H12 hex-1-ene hexene1  
1613 C6H14 Butane, 2,2-dimethyl- buta22  
1614 C6H14 Butane, 2,3-dimethyl- buta23  
1615 C6H14 Hexane hexane  
1616 C6H14 Pentane, 2-methyl- penta2  
1617 C6H14 Pentane, 3-methyl- penta3  
1618 C4N2 2-Butynedinitrile c4n2  
1619 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1620 C4H2N2 Fumaronitrile c4h2n2  
1621 C2H2N4 sym-tetrazine ttz  
1622 C3H3N3 1,3,5-Triazine triazine135  
1623 CH3N5 5-Aminotetrazole c4418615  
1624 C4H4N2 1,3-Diazine diazine13  
1625 C4H4N2 Pyrazine pyrazine  
1626 C4H4N2 Pyridazine pyridazine  
1627 C4H4N2 Succinonitrile c110612  
1628 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1629 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1630 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1631 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1632 C5H5N E-2,4-pentadienenitrile bdcn  
1633 C5H5N Pyridine pyridine  
1634 B3N3H6 borazine borazine  
1635 C6H6 Fulvene fulvene  
1636 C5H6N+ Pyridinium c5h6n  
1637 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1638 C5H7N (E)-2-Pentenenitrile c26294984  
1639 C5H7N (E)-3-Pentenenitrile c16529661  
1640 C5H7N (Z)-2-Pentenenitrile c25899507  
1641 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1642 C5H7N Cyclobutanecarbonitrile c4426113  
1643 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1644 C5H9N Butanenitrile, 2-methyl- c18936179  
1645 C5H9N Pentanenitrile c110598  
1646 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1647 C6H10 Bicyclo[3.1.0]hexane c285585  
1648 C5H11N Cyclopentanamine cypentam  
1649 C5H11N Piperidine piper  
1650 C4H12N2 1,2-Butanediamine c4426486  
1651 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1652 Li2CO3 Lithium Carbonate li2co3  
1653 Na2CO3 Sodium Carbonate na2co3  
1654 C2O4-- oxalate anion c2o4  
1655 MgSO4 Magnesium Sulfate mgso4  
1656 N2O4 Dinitrogen tetroxide n2o4  
1657 C3H2O3 vinylene carbonate vica  
1658 C2H2O4 Oxalic Acid oxalic  
1659 C2H3NO3 Oxamic acid oxamic  
1660 C4H4O2 2(5H)-Furanone furanone  
1661 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1662 C2H4N2O2 Oxalamide oxalamide  
1663 C2H4N2S2 Ethanedithioamide c79403  
1664 C2H4CO3 Ethylene carbonate etco3  
1665 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1666 C3H4S3 1,3-Dithiolane-2-thione c822388  
1667 C2H4O4 Formic acid dimer fadimer  
1668 C4H5NO 3-Methylisoxazole isox3m  
1669 C4H5NO Isoxazole, 5-methyl- c5765446  
1670 C4H5NS 4-Methylthiazole c693958  
1671 C2H5NO3 Nitric acid, ethyl ester c625581  
1672 C5H6O 2H-Pyran pyran2  
1673 C5H6O 2-methylfuran furan2m  
1674 C5H6O 3-Methylfuran furan3m  
1675 C5H6O Pentadienal pdal  
1676 C5H6S Thiophene, 2-methyl- c554143  
1677 C5H6S Thiophene, 3-methyl- c616444  
1678 C4H6O2 γ–Butyrolactone c96480  
1679 C4H6O2 2,3-Butanedione c431038  
1680 C4H6O2 2-Propenoic acid, methyl ester c96333  
1681 C4H6O2 Crotonic Acid crot  
1682 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1683 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1684 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1685 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1686 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1687 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1688 C4H6OS Vinyl sulfoxide c1115157  
1689 CH6N4S Carbonothioic dihydrazide thiacarb  
1690 C2H6N2O2 (E)-Azodioxymethane c37765154  
1691 C2H6N2O2 Dimethylnitroamine c4164287  
1692 C3H6O3 1,3,5-Trioxane trioxane  
1693 C3H6S3 1,3,5-Trithiane c3h6s3  
1694 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1695 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1696 C4H7NO 2-Pyrrolidinone c616455  
1697 C4H7NO Ethoxyacetonitrile etoaccn  
1698 C4H7NO Methacrylamide c79390  
1699 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1700 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1701 C3H7ONO Propyl nitrite prono  
1702 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1703 CH3CH(NH2)COOH Alanine alanine  
1704 CH3NHCH2COOH Sarcosine sarcosine  
1705 NH2CH2CH2COOH β–alanine betaalanine  
1706 NH2COOC2H5 Urethane urethane  
1707 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1708 C5H8O Cyclopentanone c120923  
1709 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1710 C5H8O Methyl cyclopropyl ketone c765435  
1711 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1712 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1713 NH2CONHC2H5 Urea, ethyl- c625525  
1714 C4H8O2 1,3-Dioxane dioxan13  
1715 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1716 C4H8O2 1,4-Dioxane dioxan14  
1717 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1718 C4H8O2 Ethyl acetate c141786  
1719 C4H8OS s-Ethyl thioacetate c625605  
1720 C3H8O3 1,2,3-Propanetriol glycerin  
1721 C3H8O2S (Methylsulfonyl)ethane c594434  
1722 C4H9NO Butanamide c541355  
1723 C4H9NO Propanamide, 2-methyl- c563837  
1724 C5H10O 2-Butanone, 3-methyl- c563804  
1725 C5H10O 2H-Pyran, tetrahydro- c142687  
1726 C5H10O 2-methylbutyraldehyde 2meba  
1727 C5H10O 2-Pentanone mpk  
1728 C5H10O 3-Pentanone dek  
1729 C5H10O Cyclopentanol c96413  
1730 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1731 C5H10O Pentanal pal  
1732 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1733 C5H10S 3-Ethylthio-1-propene c5296628  
1734 C5H10S Cyclopentanethiol c1679078  
1735 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1736 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1737 C4H10O2 1,1-Dimethoxyethane c534156  
1738 C4H10O2 1,3-Butanediol budiol13  
1739 C4H10O2 1,4-Butanediol budiol14  
1740 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1741 C4H10OS Diethyl sulfoxide c70291  
1742 C4H10S2 1,4-Butanedithiol budisl14  
1743 C4H11NO Diethylhydroxylamine c3710847  
1744 C5H12O 1-Butanol, 2-methyl- c137326  
1745 C5H12O 1-Butanol, 3-methyl- c123513  
1746 C5H12O 1-Pentanol pentanol1  
1747 C5H12O 2-Butanol, 3-methyl- c598754  
1748 C5H12O 2-Pentanol peol2  
1749 C5H12O 3-Pentanol pentan3ol  
1750 C5H12O Butane, 1-methoxy- meobu  
1751 C5H12O Propane, 1-ethoxy- proet  
1752 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1753 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1754 C5H12S 1-Butanethiol, 3-methyl- c541311  
1755 C5H12S 1-Pentanethiol c110667  
1756 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1757 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1758 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1759 C5H12S Butane, 1-(methylthio)- c628295  
1760 C5H12S Ethyl propyl sulfide c4110503  
1761 C5H12S Propane, 2-(ethylthio)- c5145993  
1762 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1763 C4F2 difluorobutadiyne c4f2  
1764 ClCOClCO Oxalyl chloride oxcl  
1765 CF3CN Acetonitrile, trifluoro- cf3cn  
1766 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1767 B2F4 Diboron tetrafluoride b2f4  
1768 B2Cl4 Diboron tetrachloride b2cl4  
1769 C2F4 Tetrafluoroethylene c2f4  
1770 C2F4+ Tetrafluoroethylene cation c2f4+  
1771 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1772 CF2CCl2 difluorodichloroethylene cf2ccl2  
1773 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1774 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1775 C2FCl3 fluorotrichloroethene c2fcl3  
1776 C2Cl4 Tetrachloroethylene c2cl4  
1777 C2Br4 tetrabromoethene c2br4  
1778 CF3OF Trifluoromethylhypofluorite cf3of  
1779 SiF5- silicon pentafluoride anion sif5-  
1780 SOF4 Sulfur tetrafluoride oxide sof4  
1781 PF5 Phosphorus pentafluoride pf5  
1782 AsF5 Arsenic pentafluoride asf5  
1783 PCl5 Phosphorus pentachloride pcl5  
1784 SF5 Sulfur pentafluoride sf5  
1785 SF5+ pentafluoro sulfur cation sf5+  
1786 SbCl5 Antimony pentachloride sbcl5  
1787 BrF5 bromine pentafluoride brf5  
1788 ClF5 chlorinepentafluoride clf5  
1789 IF5 pentafluoroiodine if5  
1790 CF3CHO trifluoroacetaldehyde cf3cho  
1791 CCl3CHO trichloroacetaldehyde ccl3cho  
1792 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1793 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1794 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1795 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1796 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1797 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1798 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1799 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1800 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1801 CF3COOH trifluoroacetic acid cf3cooh  
1802 C4H3ClO Furan, 2-chloro fur2cl  
1803 C4H3ClO Furan,3-chloro fur3cl  
1804 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1805 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1806 C4H8Cl2 1,4-Dichlorobutane c110565  
1807 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1808 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1809 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1810 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1811 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1812 C5H11Cl Pentane, 1-chloro- pencl1  
1813 C4H8O2 Butanoic acid bua  
1814 C6H5CH2 benzyl radical benzyl  
1815 C7H7 cycloheptatrienyl radical c7h7  
1816 C7H7+ cycloheptatrienyl cation c7h7+  
1817 C6H5CH3 toluene toluene  
1818 C7H8 cycloheptatriene cht  
1819 C7H8 Norbornadiene norbor  
1820 C7H8 Quadricyclane qucy  
1821 C7H12 Norbornane nor  
1822 C7H14 cycloheptane c7h14  
1823 C7H16 2-methylhexane 2mhex  
1824 C7H16 3-methylhexane hex3m  
1825 C7H16 heptane heptane  
1826 CH(CN)3 tricyanomethane mecn3  
1827 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1828 C6H7N 2-Methylpyridine mp  
1829 C6H5NH2 aniline aniline  
1830 C6H13N 2-Methylpiperidine pip2m  
1831 C6H13N cyclohexanamine cham  
1832 C6H15N triethylamine tea  
1833 N2O5 Dinitrogen pentoxide n2o5  
1834 C4H2O3 Maleic Anhydride malan  
1835 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1836 C5H4O2 furfural furfural  
1837 C6H5O phenoxy radical phenoxy  
1838 C5H5NO 2(1H)-Pyridinone c72762006  
1839 C5H5NO 2(3H)-Pyridinone c9000048  
1840 C5H5NO 2(5H)-Pyridinone c9000037  
1841 C5H5NO 2-Pyridinol c109104  
1842 C5H5NO 3(2H)-Pyridinone c9000004  
1843 C5H5NO 3(4H)-Pyridinone c9000026  
1844 C5H5NO 3(6H)-Pyridinone c9000015  
1845 C5H5NO 3-Pyridinol c109002  
1846 C5H5NO 4(1H)-Pryidinone c9000060  
1847 C5H5NO 4(3H)-Pryidinone c9000059  
1848 C5H5NO 4-Pyridinol c626642  
1849 C6H5OH phenol phenol  
1850 C6H6O 2,4-Cyclohexadienone c24599573  
1851 C6H6O 2,5-Cyclohexadienone c5664335  
1852 C6H5SH Benzenethiol phsh  
1853 HO2CCHNH2CH2OH Serine serine  
1854 C5H8O2 Acetylacetone acac  
1855 C4H8O2S Sulfolane sulfolane  
1856 C7H10 Norbornene norbornene  
1857 CH(C2H3)3 trivinyl methane tvm  
1858 C6H10O cyclohexanone chexo  
1859 C6H12O hexanal c6h12o  
1860 C6H12O Oxepane oxepane  
1861 C3H7OC3H7 di-n-propyl ether propr  
1862 F2CCCF2 tetrafluoroallene pfa  
1863 CF3COO- trifluoro acetate anion cf3coo-  
1864 CF3COF trifluoroacetyl fluoride cf3cof  
1865 CF3COCl trifluoroacetyl chloride cf3cocl  
1866 PF6 Hexafluorophosphate neutral pf6  
1867 PF6- Hexafluorophosphate ion pf6-  
1868 SF6 Sulfur Hexafluoride sf6  
1869 SeF6 Selenium hexafluoride sef6  
1870 SF5Cl sulfur chloropentafluoride sf5cl  
1871 CF3CHF2 pentafluoroethane cf3chf2  
1872 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1873 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1874 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1875 CCl3CHCl2 pentachloroethane ccl3chcl2  
1876 C6H5F Fluorobenzene bzf  
1877 C6H5Cl chlorobenzene bzcl  
1878 C6H5Br bromobenzene bzbr  
1879 C8H6 Calicene calicene  
1880 C6H5CCH phenylacetylene phac  
1881 C8H6 benzocyclobutadiene bcbd  
1882 C8H6 Pentalene pentalene  
1883 C6H5CHCH2 Styrene styrene  
1884 C8H8 cubane cubane  
1885 C8H8 cyclooctatetraene cot  
1886 C6H5CH2CH3 Ethylbenzene etbz  
1887 CH3C6H4CH3 meta-xylene mxylene  
1888 CH3C6H4CH3 paraxylene pxylene  
1889 C8H14 Bicyclo[2.2.2]octane bico222  
1890 C8H16 cyclooctane cyclooct  
1891 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1892 C8H18 Octane c8h18  
1893 C6H5CN phenyl cyanide phcn  
1894 C6H12N2 Triethylenediamine ted  
1895 C4O4-- squarate dianion c4o4--  
1896 S4N4 Tetrasulfur tetranitride s4n4  
1897 S8 Octasulfur s8  
1898 C6H4O2 parabenzoquinone pbq  
1899 C4H4N2O2 Uracil uracil  
1900 C6H5CHO benzaldehyde benzal  
1901 C6H5OCH3 Anisole anisole  
1902 C5H9NO2 Proline proline  
1903 C6H12O2 Methyl pivalate c598981  
1904 C6H12O2 Hexanoic acid hexa  
1905 C4F4 tetrafluorcyclobutadiene c4f4  
1906 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1907 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1908 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1909 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1910 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1911 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1912 C2Cl6 hexachloroethane c2cl6  
1913 IF7 Iodine heptafluoride if7  
1914 C6H4F2 metadifluorobenzene mdfb  
1915 C6H4F2 orthodifluorobenzene odfb  
1916 C6H4F2 1,4-difluorobenzene pdfb  
1917 C6H4Cl2 1,2-dichlorobenzene dcb12  
1918 C6H4Cl2 1,3-dichlorobenzene dcb13  
1919 C6H4Cl2 1,4-dichlorobenzene dcb14  
1920 C6H5NO nitrosobenzene bzno  
1921 C9H8 Indene indene  
1922 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1923 C9H12 n-propyl benzene prbz  
1924 C9H20 Nonane nonane  
1925 C(CN)4 tetracyanomethane c5n4  
1926 C5H4N4 purine purine  
1927 C8H7N Indole indole  
1928 C3H3N3O3 cyanuric acid cyanuric  
1929 C6H5NO2 Nitrobenzene c6h5no2  
1930 C6H5COOH benzoic acid benzo  
1931 CH3COC6H5 acetophenone acph  
1932 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1933 C3F6 hexafluoropropene c3f6  
1934 C6H3F3 Benzene trifluoride 123 bzf3a  
1935 C8H18O 1-Octanol octanol  
1936 C10H8 Azulene azu  
1937 C10H8 naphthalene naph  
1938 C10H10 bullvalene bullv  
1939 C10H16 adamantane adamantane  
1940 C6N4 Tetracyanoethylene tcne  
1941 C6N4- tetracyanoethylene anion tcne-  
1942 C10H22 Decane decane  
1943 C4F6 perfluorobutadiene c4f6  
1944 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1945 C3F8 perfluoropropane c3f8  
1946 Fe(CO)5 Iron pentacarbonyl ipc  
1947 Fe(C5H5)2 ferrocene fecp2  
1948 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1949 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1950 C12H8 Acenaphthylene acenaph  
1951 C12H8 biphenylene biph  
1952 C12H10 biphenyl biphenyl  
1953 C12H10 Heptalene heptalene  
1954 C6H12O6 Inositol inositol  
1955 C6F6 hexafluorobenzene c6f6  
1956 S2F10 disulphur decafluoride s2f10  
1957 C13H10 Fluorene fluorene  
1958 C14H10 Anthracene anth  
1959 C14H10 Phenanthrene phenanthrene  
1960 C14H14 Bibenzyl bibenzyl  
1961 C12H10N2 azobenzene azobenzene  
1962 C6H5COC6H5 benzophenone benzophenone  
1963 C16H10 Pyrene pyrene  
1964 C18H12 Tetracene tetracene  
1965 C19H16 Triphenylmethane tpm  
1966 C24H12 Coronene coronene  
1967 C60 Buckminsterfullerene c60