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

List of which calculations are completed at CCSD(T)=FULL /cc-pV(T+d)Z

Jump to calculations not yet done
count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 H+ Hydrogen atom cation  Kh
3 Li Lithium atom 2SKh
4 LiH Lithium Hydride 1ΣC∞v
5 LiH- lithium hydride anion 2ΣC∞v
6 LiH+ lithium hydride cation 2ΣC∞v
7 Be Beryllium atom 1SKh
8 Mg Magnesium atom 1SKh
9 BeH2 beryllium dihydride 1ΣgD∞h
10 MgH2 magnesium dihydride 1ΣgD∞h
11 B Boron atom 2PKh
12 AlH aluminum monohydride 1ΣC∞v
13 BH3 boron trihydride 1A1'D3h
14 AlH3 aluminum trihydride 1A1'D3h
15 C Carbon atom 3P0Kh
16 Si Silicon atom 3PKh
17 SiH2 silicon dihydride 1A1C2v
18 SiH2 silicon dihydride 3B1C2v
19 CH3- methyl anion 1A1C3v
20 SiH3 Silyl radical 2A1C3v
21 CH4 Methane 1A1Td
22 SiH4 Silane 1A1Td
23 P Phosphorus atom 4SKh
24 PH phosphorus monohydride 1ΔC∞v
25 NH3 Ammonia 1A1C3v
26 PH3 Phosphine 1A1C3v
27 PH4+ phosphonium cation   
28 O Oxygen atom 3SKh
29 S Sulfur atom 3PKh
30 OH Hydroxyl radical 2ΠC∞v
31 DS Mercapto-d 2ΠC∞v
32 HS Mercapto radical 2ΠC∞v
33 H2O Water 1A1C2v
34 H2S Hydrogen sulfide 1A1C2v
35 H2S+ Hydrogen sulfide cation 2B1C2v
36 H3S+ Sulfonium cation 1A1C3v
37 F Fluorine atom 2PKh
38 Cl Chlorine atom 2PKh
39 HF Hydrogen fluoride 1ΣC∞v
40 HCl Hydrogen chloride 1ΣC∞v
41 HCl+ hydrogen chloride cation 2ΠC∞v
42 H2Cl+ dihydrogen monochloride cation 1A1C2v
43 NaLi lithium sodium 1ΣC∞v
44 B2 Boron diatomic 3ΣgD∞h
45 B2 Boron diatomic 5ΣuD∞h
46 BAl Boron Aluminum 3ΣC∞v
47 AlC Aluminum carbide 4ΣC∞v
48 C2 Carbon diatomic 1Σg+D∞h
49 C2 Carbon diatomic 3ΠuD∞h
50 SiC silicon monocarbide 3ΣC∞v
51 SiC silicon monocarbide 1ΣC∞v
52 C2H2 Acetylene 1ΣgD∞h
53 C2H2+ acetylene cation 2ΠuD∞h
54 CCH2 vinylidene 1A1C2v
55 C2H4 Ethylene 1AgD2h
56 C2H6 Ethane 1A1gD3d
57 Si2H6 disilane 1EuD3d
58 BN- boron nitride anion 2ΣC∞v
59 AlN Aluminum nitride 3ΠiC∞v
60 CN Cyano radical 2ΣC∞v
61 CN- cyanide anion 1ΣC∞v
62 SiP Silicon monophosphide 2ΠC∞v
63 N2 Nitrogen diatomic 1ΣgD∞h
64 P2 Phosphorus diatomic 1ΣgD∞h
65 HCN Hydrogen cyanide 1ΣC∞v
66 N2H2 (E)-diazene 1AgC2h
67 CH2PH Phosphaethene 1A'Cs
68 BH3PH3 borane phosphine   
69 LiS Lithium monosulfide 2ΠC∞v
70 MgO magnesium oxide 1Σ+C∞v
71 CaS Calcium sulfide 1ΣC∞v
72 CO Carbon monoxide 1ΣC∞v
73 GeO Germanium monoxide 1ΣC∞v
74 SiSe Silicon Monoselenide   
75 NO Nitric oxide 2ΠC∞v
76 NO- nitric oxide anion 3ΣC∞v
77 NS Mononitrogen monosulfide 2ΠC∞v
78 PO Phosphorus monoxide 2ΠC∞v
79 PS phosphorus sulfide 2ΣC∞v
80 O2 Oxygen diatomic 3ΣgD∞h
81 O2- oxygen diatomic anion 2ΠD∞h
82 SO Sulfur monoxide 3ΣC∞v
83 SO Sulfur monoxide 1ΣC∞v
84 S2 Sulfur diatomic 3ΣgD∞h
85 S2+ sulfur diatomic cation 2ΠD∞h
86 Se2 Selenium diatomic 3ΣgD∞h
87 HNO Nitrosyl hydride 1A'Cs
88 HSO+ Sulfur Monoxide, S-protonated   
89 SOH Sulfur Hydroxide   
90 SOH+ Sulfur Monoxide, protonated   
91 H2CO Formaldehyde 1A1C2v
92 H2CS Thioformaldehyde 1A1C2v
93 H2CSe Selenoformaldehyde   
94 H2O2 Hydrogen peroxide 1AC2
95 H2S2 Disulfane 1AC2
96 H2S2+ hydrogen disulfide cation 2BgC2h
97 H2CSH+ Thioformaldehyde, protonated 1A'Cs
98 H2POH Phosphinous acid 1A1'CS trans
99 H2POH Phosphinous acid 1A1'CS cis
100 H3PO Phosphine oxide 1A1C3v
101 CH3SH Methanethiol 1A'Cs
102 CH3SH2+ protonated methylsulfide 1A'Cs
103 LiCl lithium chloride 1ΣC∞v
104 NaCl Sodium Chloride 1ΣC∞v
105 BF Boron monofluoride 1ΣC∞v
106 AlCl Aluminum monochloride 1ΣC∞v
107 CF Fluoromethylidyne 2ΠC∞v
108 SiF silicon monofluoride 2ΠC∞v
109 SiF+ silicon monofluoride cation 1ΣC∞v
110 NF nitrogen fluoride 3ΣC∞v
111 NCl nitrogen monochloride 3ΣC∞v
112 ClO Monochlorine monoxide 2ΠC∞v
113 SF Monosulfur monofluoride 2ΠC∞v
114 SF+ sulfur monofluoride cation 3ΣC∞v
115 SCl sulfur monochloride 2ΠC∞v
116 SCl+ sulfur monochloride cation 3ΣgC∞v
117 SBr Sulfur monobromide radical   
118 F2 Fluorine diatomic 1ΣgD∞h
119 ClF Chlorine monofluoride 1Σ+C∞v
120 Cl2 Chlorine diatomic 1ΣgD∞h
121 Cl2- chlorine diatomic anion 2ΣuD∞h
122 Cl2+ chlorine diatomic cation 2ΠgD∞h
123 HOCl hypochlorous acid 1A'Cs
124 CH2Cl chloromethyl radical 2A'Cs
125 CH3Cl Methyl chloride 1A1C3v
126 SiH3Cl chlorosilane 1A1C1
127 CH2CCH2 allene 1A1D2d
128 Si3H8 trisilane   
129 HN3 hydrogen azide 1A'Cs
130 CH2NN diazomethane 1A1C2v
131 Li2S dilithium sulfide 1ΣGD∞h
132 Li2S dilithium sulfide 1A1C2v
133 N2O Nitrous oxide 1ΣC∞v
134 NNS Nitrogen sulfide 1ΣC∞v
135 CO2 Carbon dioxide 1ΣgD∞h
136 OCS Carbonyl sulfide 1ΣC∞v
137 CS2 Carbon disulfide 1ΣgD∞h
138 SiS2 Silicon disulfide 1ΣGD∞h
139 NSO sulfinyl amidogen   
140 SNO Nitrogen oxide sulfide   
141 O3 Ozone 1A1Cs
142 SO2 Sulfur dioxide 1A1C2v
143 S3 Sulfur trimer 1A1C2v
144 S3 Sulfur trimer   
145 S3+ Sulfur trimer cation 2B2C2v
146 CH2CS Thioketene   
147 HCOOH Formic acid 1A'Cs
148 HSSSH trisulfane 1AC2
149 HSSSH trisulfane 1A'Cs
150 C2H4S Thiirane 1A1C2v
151 CH3CHS Thioacetaldehyde 1A'C1
152 CH3SSH Hydrogen methyl disulfide   
153 CH3CH2SH ethanethiol 1A'Cs
154 FNO Nitrosyl fluoride 1A'Cs
155 FNS Thionitrosyl fluoride 1A'Cs
156 FSN Thiazyl fluoride 1A'Cs
157 OPCl Phosphorus oxychloride   
158 GeCl2 Germanium dichloride 1A1C2v
159 OClO Chlorine dioxide 2B1D∞h
160 ClSO Sulfur chloride oxide 2A"Cs
161 FClO chlorosyl fluoride 1A'Cs
162 ClOF Chlorine hypofluorite 1A'Cs
163 SF2 sulfur difluoride 1A1C2v
164 SCl2 Sulfur dichloride 1A1C2v
165 SeCl2 Selenium Dichloride   
166 SBr2 Sulfur dibromide   
167 SeBr2 Selenium dibromide   
168 CH2F2 Methane, difluoro- 1A1C2v
169 CH2Cl2 Methylene chloride 1A1C2v
170 S2N2 Disulfur dinitride 1AGD2h
171 CS3-- Carbonotrithioate   
172 SO3 Sulfur trioxide 1A1'D3h
173 S4 Sulfur tetramer   
174 S4 Sulfur tetramer   
175 S4 Sulfur tetramer   
176 H3AlO3 Aluminum hydroxide   
177 CH3CSNH2 Ethanethioamide   
178 BF3 Borane, trifluoro- 1A'D3h
179 AlF3 Aluminum trifluoride 1A1'D3h
180 SiF3 Silicon trifluoride radical 2A1C3v
181 ClO2F Chloryl fluoride 1A'Cs
182 F2SO Thionyl Fluoride 1A'Cs
183 FSSF Difluorodisulfane 1AC2
184 S2F2 Thio-thionyl fluoride 1A'Cs
185 SSCl2 Thiothionyl chloride   
186 SF3 Sulfur trifluoride 2A'Cs
187 ClF3 Chlorine trifluoride 1A1'D3h
188 ClF3 Chlorine trifluoride 1A1C2v
189 HClO3 Chloric Acid 1AC1
190 C2H6O2S Dimethyl sulfone 1A1C2v
191 CF2Cl2 difluorodichloromethane 1A1C2v
192 SF4 Sulfur tetrafluoride 1A1C2v
193 HClO4 perchloric acid 1ACs
194 SiH3CCl3 (trichloromethyl)silane 1A1C3v
195 B2Cl4 Diboron tetrachloride 1A1D2
196 SiF5- silicon pentafluoride anion   
197 SOF4 Sulfur tetrafluoride oxide 1A1C2v
198 PF5 Phosphorus pentafluoride 1A1'D3h
199 ClF5 chlorinepentafluoride 1A1C4v
200 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-   
201 PF6- Hexafluorophosphate ion 1A1GOh
202 SF6 Sulfur Hexafluoride 1A1GOh
203 SF5Cl sulfur chloropentafluoride 1A1C4v
204 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- 1AGD2h

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 h2  
7 H2- hydrogen diatomic anion h2-  
8 H2+ Hydrogen cation h2+  
9 HD Deuterium hydride hd  
10 H3+ hydrogen trimer cation h3+  
11 He Helium atom he  
12 He- Helium atom anion he-  
13 He+ Helium atom cation he+  
14 HeH Helium hydride heh  
15 HeH+ Helium hydride cation heh+  
16 He2+ helium diatomic cation he2+  
17 Li- Lithium atom anion li-  
18 Li+ Lithium atom cation li+  
19 Na Sodium atom na  
20 Na- Sodium atom anion na-  
21 Na+ Sodium atom cation na+  
22 K Potassium atom k  
23 K- Potassium atom anion k-  
24 K+ Potassium atom cation k+  
25 Cu Copper atom cu  
26 Cu- Copper atom anion cu-  
27 Cu+ Copper atom cation cu+  
28 NaH sodium hydride nah  
29 NaH- sodium hydride anion nah-  
30 NaH+ sodium hydride cation nah+  
31 KH Potassium hydride kh  
32 KH+ Potassium hydrogen cation kh+  
33 CuH Copper monohydride cuh  
34 Be- Beryllium atom anion be-  
35 Be+ Beryllium atom cation be+  
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 mgh  
48 MgH- magnesium monohydride anion mgh-  
49 MgH+ magnesium monohydride cation mgh+  
50 CaH Calcium monohydride cah  
51 CaH+ Calcium monohydride cation cah+  
52 TiH Titanium monohydride tih  
53 ZnH Zinc monohydride znh  
54 ZnH+ Zinc, protonated znh+  
55 BeH2+ Beryllium dihydride cation beh2+  
56 CaH2 Calcium Hydride cah2  
57 ZnH2 Zinc hydride znh2  
58 B- Boron atom anion b-  
59 B+ Boron atom cation b+  
60 Al Aluminum atom al  
61 Al- Aluminum atom anion 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 anion alh-  
72 AlH+ aluminum monohydride cation alh+  
73 ScH Scandium monohydride sch  
74 ScH+ Scandium monohydride cation sch+  
75 GaH Gallium monohydride gah  
76 GaH+ Gallium monohydride cation gah+  
77 BH2 boron dihydride bh2  
78 BH2- boron dihydride anion bh2-  
79 BH2+ Boron dihydride cation bh2+  
80 AlH2 aluminum dihydride alh2  
81 AlH2- aluminum dihydride anion alh2-  
82 AlH2+ aluminum dihydride cation alh2+  
83 BH3- boron trihydride anion bh3-  
84 BH3+ boron trihydride cation bh3+  
85 AlH3- aluminum trihydride anion alh3-  
86 AlH3+ aluminum trihydride cation alh3+  
87 ScH3 Scandium trihydride sch3  
88 GaH3 Gallium trihydride gah3  
89 BH4 borohydride bh4  
90 BH4- borohydride anion bh4-  
91 AlH4- Aluminum tetrahydride anion alh4-  
92 C- Carbon atom anion c-  
93 C+ Carbon atom cation c+  
94 Si- Silicon atom anion si-  
95 Si+ Silicon atom cation si+  
96 Ti Titanium atom ti  
97 Ti- Titanium atom anion ti-  
98 Ti+ Titanium atom cation ti+  
99 Ge Germanium atom ge  
100 Ge- Germanium anion ge-  
101 Ge+ Germanium cation ge+  
102 Sn Tin atom sn  
103 Sn+ Tin cation sn+  
104 CH Methylidyne ch  
105 CH- methylidyne anion ch-  
106 CH+ Methylidyne cation ch+  
107 SiH Silylidyne sih  
108 SiH- silicon monohydride anion sih-  
109 SiH+ silicon monohydride cation sih+  
110 GeH germylidene geh  
111 GeH+ Germaniun monohyrdide cation geh+  
112 CH2 Methylene ch2  
113 CH2- methylene anion ch2-  
114 CH2+ methylene cation ch2+  
115 SiH2- silicon dihydride anion sih2-  
116 SiH2+ silicon dihydride cation sih2+  
117 GeH2 germylene geh2  
118 GeH2- germylene anion geh2-  
119 CH3 Methyl radical ch3  
120 CH3+ methyl cation ch3+  
121 SiH3- Silyl anion sih3-  
122 SiH3+ Silyl cation sih3+  
123 GeH3 Germyl radical geh3  
124 GeH3+ germyl cation geh3+  
125 CD4 methane-d4 cd4  
126 CH2D2 methane-d2 ch2d2  
127 CH3D methane-d ch3d  
128 CH4- Methane anion ch4-  
129 CH4+ Methane cation ch4+  
130 CHD3 methane-d3 chd3  
131 SiH2D2 silane-d2 sih2d2  
132 SiH4+ Silane cation sih4+  
133 GeH4 Germane geh4  
134 SnH4 Stannane snh4  
135 SiH5+ Silane, protonated sih5+  
136 N Nitrogen atom n  
137 N- Nitrogen atom anion n-  
138 N+ Nitrogen atom cation n+  
139 P- Phosphorus atom anion p-  
140 P+ Phosphorus atom cation p+  
141 V Vanadium atom v  
142 V+ Vanadium atom cation v+  
143 As Arsenic atomic as  
144 As- Arsenic anion as-  
145 As+ Arsenic cation as+  
146 Sb Antimony atom sb  
147 NH Imidogen nh  
148 NH- Imidogen anion nh-  
149 NH+ imidogen cation nh+  
150 PH phosphorus monohydride ph  
151 PH- phosphorus monohydride anion ph-  
152 PH+ phosphorus monohydride cation ph+  
153 AsH Arsenic monohydride ash  
154 AsH+ Arsenic monohydride cation ash+  
155 SbH Antimony monohydride sbh  
156 ND2 Amidogen-d2 nd2  
157 NH2 Amino radical nh2  
158 NH2- amino anion nh2-  
159 NH2+ Amino cation nh2+  
160 PH2 Phosphino radical ph2  
161 PH2- Phosphino anion ph2-  
162 PH2+ Phosphino cation ph2+  
163 AsH2 Arsenic dihydride ash2  
164 AsH2+ Arsenic dihydride cation ash2+  
165 ND3 Ammonia-d3 nd3  
166 NH3- Ammonia anion nh3-  
167 NH3+ ammonia cation nh3+  
168 PH3+ Phosphine cation ph3+  
169 AsH3 Arsine ash3  
170 AsH3+ Arsine cation ash3+  
171 SbH3 Stibine sbh3  
172 AsH4+ Arsonium ash4+  
173 NH4 Ammonium radical nh4  
174 NH4+ ammonium cation nh4+  
175 PH4 Phosphoranyl radical ph4  
176 O- Oxygen atom anion o-  
177 O+ Oxygen atom cation o+  
178 S- Sulfur atom anion s-  
179 S+ Sulfur atom cation s+  
180 Cr Chromium atom cr  
181 Se Selenium atom se  
182 Se- Selenium atom anion se-  
183 Se+ Selenium atom cation se+  
184 Te Tellurium atom te  
185 Te+ Tellurium atom cation te+  
186 DO Hydroxyl-d od  
187 OH- hydroxide anion oh-  
188 OH+ hydoxyl cation oh+  
189 HS- mercapto anion sh-  
190 HS+ sulfur monohydride cation sh+  
191 CrH Chromium hydride crh  
192 CrH+ Chromium hydride cation crh+  
193 HSe Selenium monohydride hse  
194 HSe- selenium monohydride anion hse-  
195 HSe+ selenium monohydride cation hse+  
196 TeH Telluryl radical teh  
197 D2O Deuterium oxide d2o  
198 H2O- water anion h2o-  
199 H2O+ water cation h2o+  
200 HDO Water-d1 hdo  
201 D2S Hydrogen sulfide-d2 d2s  
202 H2S- Hydrogen sulfide anion h2s-  
203 H2Se Hydrogen selenide h2se  
204 H2Se+ Hydrogen selenide cation h2se+  
205 H2Te Hydrogen Telluride h2te  
206 H3O+ hydronium cation h3o+  
207 H3Se+ Hydrogen Selenide, protonated h3se+  
208 F- Fluorine atom anion f-  
209 F+ Fluorine atom cation f+  
210 Cl- Chlorine atom anion cl-  
211 Cl+ Chlorine atom cation cl+  
212 Mn Manganese atom mn  
213 Br Bromine atom br  
214 Br- Bromine atom anion br-  
215 Br+ Bromine atom cation br+  
216 I Iodine atom iodine  
217 I- Iodine atom anion iodine-  
218 I+ Iodine atom cation iodine+  
219 DF Hydrofluoric acid-d df  
220 HF- hydrogen fluoride anion hf-  
221 HF+ hydrogen fluoride cation hf+  
222 DCl Hydrochloric acid-d dcl  
223 HCl- hydrogen chloride anion hcl-  
224 HBr hydrogen bromide hbr  
225 HBr- hydrogen bromide anion hbr-  
226 HBr+ hydrogen bromide cation hbr+  
227 HI Hydrogen iodide hi  
228 HI+ Hydrogen iodide cation hi+  
229 H2F+ dihydrogen fluoride cation h2f+  
230 H2Br+ protonated hydrogen bromide h2br+  
231 H2I+ Iodonium h2i+  
232 Ne Neon atom ne  
233 Ne- Neon atom anion ne-  
234 Ne+ Neon atom cation ne+  
235 Ar Argon atom ar  
236 Ar- Argon atom anion ar-  
237 Ar+ Argon atom cation ar+  
238 Fe Iron atom fe  
239 Kr Krypton atom kr  
240 Kr+ Krypton cation kr+  
241 Xe Xenon atom xe  
242 HeLi+ Helium Lithium cation heli+  
243 NeH neon hydrogen neh  
244 NeH+ neon hydrogen cation neh+  
245 ArH+ Argon hydride cation arh+  
246 KrH+ Protonated Krypton krh+  
247 XeH+ Xenon, protonated xeh+  
248 H2Ar H2 Ar dimer h2ar  
249 Co Cobalt atom cobalt  
250 Ni Nickel atom ni  
251 Li2 Lithium diatomic li2  
252 Li2- lithium diatomic anion li2-  
253 Li2+ lithium diatomic cation li2+  
254 NaLi- lithium sodium anion lina-  
255 NaLi+ lithium sodium cation lina+  
256 LiK Lithium Potassium lik  
257 Na2 Sodium diatomic na2  
258 Na2- sodium diatomic anion na2-  
259 Na2+ sodium diatomic cation na2+  
260 NaK Sodium Potassium nak  
261 NaK+ Sodium Potassium diatomic cation nak+  
262 K2 Potassium diatomic k2  
263 Cu2 Copper diatomic cu2  
264 LiBe Lithium Beryllium libe  
265 LiMg Lithium magnesium limg  
266 NaBe Sodium Beryllium nabe  
267 NaMg Sodium Magnesium namg  
268 Be2 Beryllium diatomic be2  
269 Be2- Beryllium diatomic anion be2-  
270 Be2+ Beryllium diatomic cation be2+  
271 BeMg Beryllium Magnesium bemg  
272 Mg2 Magnesium diatomic mg2  
273 Mg2- magnesium diatomic anion mg2-  
274 Mg2+ magnesium diatomic cation mg2+  
275 Ca2 Calcium diatomic ca2  
276 LiB Lithium boride lib  
277 LiAl Lithium Aluminum lial  
278 NaAl Sodium aluminum naal  
279 BeB Beryllium monoboride beb  
280 B2- Boron diatomic anion b2-  
281 B2+ Boron diatomic cation b2+  
282 Al2 Aluminum diatomic al2  
283 Al2- aluminum diatomic anion al2-  
284 Al2+ aluminum diatomic cation al2+  
285 BGa Boron Gallium bga  
286 AlGa Aluminum Gallium alga  
287 Ga2 Gallium diatomic ga2  
288 HBBH Diborane(2) hbbh  
289 LiBH4 Lithium borohydride libh4  
290 B2H4 Diborane(4) D2d b2h4  
291 HBHHBH Diborane(4) C2V hbhhbh  
292 B2H6 Diborane b2h6  
293 B2H6+ Diborane cation b2h6  
294 Al2H6 dialane al2h6  
295 Ga2H6 digallane ga2h6  
296 LiC Lithium Carbide lic  
297 BeC Beryllium Carbide bec  
298 CaC Calcium monocarbide cac  
299 BC boron monocarbide bc  
300 BC- boron monocarbide anion bc-  
301 BC+ boron monocarbide cation bc+  
302 BSi Boron silicide bsi  
303 C2- carbon diatomic anion c2-  
304 C2+ carbon diatomic cation c2+  
305 SiC- silicon monocarbide anion sic-  
306 SiC+ silicon monocarbide cation sic+  
307 Si2 Silicon diatomic si2  
308 Si2- silcon diatomic anion si2-  
309 Si2+ silcon diatomic cation si2+  
310 GeC Germanium monocarbide gec  
311 SiGe Silicon Germanium sige  
312 Ge2 Germanium diatomic ge2  
313 C2H Ethynyl radical c2h  
314 C2H- Ethynyl anion c2h-  
315 C2H+ Ethynyl cation c2h+  
316 ZnCH2 Zinc methylene znch2  
317 H2CC- vinylidene anion h2cc-  
318 HCCH- acetylene anion c2h2-  
319 Si2H2 disilyne si2h2  
320 CH3Li methyl lithium ch3li  
321 CuCH3 monomethyl copper cuch3  
322 ZnCH3 Zinc monomethyl znch3  
323 CH2BH methyleneborane ch2bh  
324 C2H3 vinyl c2h3  
325 C2H3- vinyl anion c2h3-  
326 C2H3+ vinyl cation c2h3+  
327 C2H4- Ethylene anion c2h4-  
328 C2H4+ Ethylene cation c2h4+  
329 CH3CH methylmethylene ch3ch  
330 CH2SiH2 silaethylene ch2sih2  
331 Si2H4 Disilene si2h4  
332 CH3BH2 methylborane ch3bh2  
333 C2H5 Ethyl radical c2h5  
334 C2H5- Ethyl anion c2h5-  
335 C2H5+ Ethyl cation c2h5+  
336 C2H6+ ethane cation c2h6+  
337 CH3SiH3 methyl silane ch3sih3  
338 GeH3CH3 methyl germane geh3ch3  
339 C2H7+ Ethane, protonated c2h7+  
340 LiN Lithium Nitride lin  
341 LiN+ Lithium Nitride cation lin+  
342 LiP Lithium monophosphide lip  
343 BeN Beryllium mononitride ben  
344 BeN- Beryllium mononitride anion ben-  
345 BeN+ Beryllium mononitride cation ben+  
346 MgN Magnesium Nitride mgn  
347 AlN- aluminum mononitride anion aln-  
348 AlN+ aluminum mononitride cation aln+  
349 BP Boron monophosphide bp  
350 AlP Aluminum monophosphide alp  
351 GaN Gallium mononitride gan  
352 GaP Gallium monophosphide gap  
353 GaAs Gallium arsenide gaas  
354 BN boron nitride bn  
355 BN+ boron nitride cation bn+  
356 CN+ Cyano cation cn+  
357 CP Carbon monophosphide cp  
358 CP- carbon monophosphide anion cp-  
359 CP+ carbon monophosphide cation cp+  
360 SiN Silicon nitride sin  
361 SiN- silicon mononitride anion sin-  
362 SiN+ silicon mononitride cation sin+  
363 SiP- Silicon monophosphide anion sip-  
364 SiP+ Silicon monophosphide cation sip+  
365 TiN Titanium mononitride tin  
366 N2- nitrogen diatomic anion n2-  
367 N2+ diatomic nitrogen cation n2+  
368 PN Phosphorus mononitride pn  
369 PN- phosphorus nitride anion pn-  
370 PN+ phosphorus nitride cation pn+  
371 P2- phosphorus diatomic anion p2-  
372 P2+ phosphorus diatomic cation p2+  
373 AsN Arsenic mononitride asn  
374 AsP Arsenic monophosphide asp  
375 SbN Antimony nitride sbn  
376 As2 Arsenic diatomic as2  
377 HNB hydrogen nitrogen boron hnb  
378 HNC hydrogen isocyanide hnc  
379 HCN- Hydrogen cyanide anion hcn-  
380 HCN+ hydrogen cyanide cation hcn+  
381 HNC+ hydrogen isocyanide cation hnc+  
382 HCP Phosphaethyne hcp  
383 HCP+ Phosphaethyne cation hcp+  
384 NNH Dinitrogen monohydride nnh  
385 NNH+ Dinitrogen monohydride cation nnh+  
386 HPO Hydrogen phosphorus oxide hpo  
387 HPO+ Hydrogen phosphorus oxide cation hpo+  
388 LiNH2 lithium amide linh2  
389 HBNH Boranimine hbnh  
390 CNH2 Aminomethylidyne radical cnh2  
391 CNH2+ N-protonated hydrogen isocyanide cnh2+  
392 H2CN Dihydrogen cyanide radical h2cn  
393 H2CN+ hydrocyanonium cation h2cn+  
394 HCNH methyleneazane hcnh  
395 HCNH+ N-protonated HCN hcnh+  
396 H2NN Isodiazene h2nn  
397 N2H2 (Z)-Diazene n2h2z  
398 N2H2+ trans-diazene cation n2h2+  
399 CH2NH Methanimine ch3n  
400 CH2NH+ Methanimine cation ch2nh+  
401 CHNH2 aminomethylene chnh2  
402 CHNH2+ Aminocarbene cation chnh2+  
403 BH2NH2 Boranamine bh2nh2  
404 CH2NH2+ methyleneamine cation ch2nh2+  
405 N2H4 Hydrazine n2h4  
406 N2H4+ hydrazine cation n2h4+  
407 P2H4 Diphosphine p2h4  
408 CH3NH2 methyl amine ch3nh2  
409 CH3NH2+ methyl amine cation ch3nh2+  
410 CH3PH2 Methyl phosphine ch3ph2  
411 SiH3NH2 Silane, amino sih3nh2  
412 N2H5+ protonated hydrazine n2h5+  
413 BH3NH3 borane ammonia bh3nh3  
414 CH3NH3 methyl ammonium radical ch3nh3  
415 CH3NH3+ protonated methylamine ch3nh3+  
416 CH3PH3+ methyl phosphine, protonated ch3ph3+  
417 NH3NH3 Ammonia Dimer nh3nh3  
418 N2H7+ ammonia ammonium dimer n2h7+  
419 LiO lithium oxide lio  
420 LiO- lithium oxide anion lio-  
421 LiO+ lithium oxide cation lio+  
422 LiS+ Lithium sulfide cation lis+  
423 NaO sodium monoxide nao  
424 NaO- sodium oxide anion nao-  
425 NaO+ sodium oxide cation nao+  
426 KO Potassium monoxide ko  
427 KO+ Potassium monoxide cation ko+  
428 NaS Sodium sulfide nas  
429 CuO Copper Monoxide cuo  
430 LiSe Lithium monoselenide lise  
431 BeO beryllium oxide beo  
432 BeO- Beryllium monoxide anion beo-  
433 BeO+ Beryllium monoxide cation beo+  
434 BeS beryllium sulfide bes  
435 MgO- magnesium oxide anion mgo-  
436 MgO+ magnesium oxide cation mgo+  
437 CaO Calcium monoxide cao  
438 MgS magnesium sulfide mgs  
439 MgS- magnesium sulfide anion mgs-  
440 MgS+ magnesium sulfide cation mgs+  
441 ZnO zinc monoxide zno  
442 ZnS Zinc sulfide zns  
443 BeS- Beryllium monosulfide anion bes-  
444 BeS+ Beryllium monosulfide cation bes+  
445 BO boron monoxide bo  
446 BO- boron monoxide anion bo-  
447 AlO Aluminum monoxide alo  
448 AlO- Aluminum monoxide anion alo-  
449 AlO+ aluminum monoxide cation alo+  
450 BS boron sulfide bs  
451 BS- boron monosulfide anion bs-  
452 BS+ boron monosulfide cation bs+  
453 AlS Aluminum sulfide als  
454 AlS- aluminum monosulfide anion als-  
455 AlS+ aluminum monosulfide cation als+  
456 ScO Scandium monoxide sco  
457 GaO Gallium monoxide gao  
458 GaS Gallium monosulfide gas  
459 BO+ boron monoxide cation bo+  
460 CO- carbon monoxide anion co-  
461 CO+ carbon monoxide cation co+  
462 CS carbon monosulfide cs  
463 CS- carbon monosulfide anion cs-  
464 CS+ carbon monosulfide cation cs+  
465 SiO Silicon monoxide sio  
466 SiO- silicon monoxide anion sio-  
467 SiO+ silicon monoxide cation sio+  
468 SiS silicon monosulfide sis  
469 SiS- silicon monosulfide anion sis-  
470 SiS+ silicon monosulfide cation sis+  
471 TiO Titanium monoxide tio  
472 CSe Carbon monoselenide cse  
473 CSe- Carbon monoselenide anion cse-  
474 CSe+ Carbon monoselenide cation cse+  
475 GeO+ Germanium monoxide cation geo+  
476 GeS Germanium monosulfide ges  
477 SiSe+ Silicon Monoselenide cation sise+  
478 GeSe Germanium monoselenide gese  
479 NO+ nitric oxide cation no+  
480 NS- nitrogen sulfide anion ns-  
481 NS+ nitrogen sulfide cation ns+  
482 PO- phosphorus monoxide anion po-  
483 PO+ phosphorus monoxide cation po+  
484 PS- phosphorus monosulfide anion ps-  
485 PS+ phosphorus monosulfide cation ps+  
486 VO Vanadium monoxide vo  
487 AsO Arsenic monoxide aso  
488 NSe Nitrogen monoselenide nse  
489 AsS Arsenic monosulfide ass  
490 PSe Phosphorus monoselenide pse  
491 AsSe Arsenic monoselenide asse  
492 O2-- dioxygen dianion o2--  
493 O2+ diatomic oxygen cation o2+  
494 SO- sulfur monoxide anion so-  
495 SO+ sulfur monoxide cation so+  
496 S2- sulfur diatomic anion s2-  
497 SeO Selenium monoxide seo  
498 SeO- selenium monoxide anion seo-  
499 SeO+ selenium monoxide cation seo+  
500 SeS Selenium monosulfide ses  
501 SeS- selenium monosulfide anion ses-  
502 SeS+ selenium monosulfide cation ses+  
503 TeO Tellurium monoxide teo  
504 Se2- selenium diatomic anion se2-  
505 Se2+ selenium diatomic cation se2+  
506 Te2 Tellurium diatomic te2  
507 LiOH lithium hydroxide lioh  
508 NaOH sodium hydroxide naoh  
509 KOH Potassium hydroxide koh  
510 BeOH beryllium monohydroxide beoh  
511 MgOH magnesium hydroxide mgoh  
512 CaOH Calcium monohydroxide caoh  
513 HBO Boron hydride oxide hbo  
514 HBS hydrogen boron sulfide hbs  
515 COH Hydroxymethylidyne coh  
516 COH+ Carbon Monoxide, protonated coh+  
517 HCO Formyl radical hco  
518 HCO- formyl anion hco-  
519 HCO+ Formyl cation hco+  
520 HCS Thioformyl radical hcs  
521 HCS- Thioformyl anion hcs-  
522 HCS+ Thioformyl cation hcs+  
523 HNO- Nitrosyl hydride anion hno-  
524 HNO+ Nitrosyl hydride cation hno+  
525 NOH Hydroxyimidogen noh  
526 NOH+ O-protonated nitric oxide noh+  
527 HNS Sulfur imide hns  
528 HNS- Sulfur imide anion hns-  
529 HO2 Hydroperoxy radical ho2  
530 HO2- Hydroperoxy anion ho2-  
531 HO2+ Hydroperoxy cation ho2+  
532 HS2 Thiosulfeno radical hs2  
533 H2CO- formaldehyde anion h2co-  
534 H2CO+ formaldehyde cation h2co+  
535 HOCH hydroxycarbene hoch  
536 H2CS- thioformaldehyde anion h2cs-  
537 H2CS+ thioformaldehyde cation h2cs+  
538 H2NO nitroxide h2no  
539 H2O2+ Hydrogen peroxide cation h2o2+  
540 H2OO water oxide h2oo  
541 HOSH hydrogen thioperoxide hosh  
542 H2Se2 hydrogen diselenide h2se2  
543 CH2OH Hydroxymethyl radical ch2oh  
544 CH2OH+ hydroxymethyl cation ch2oh+  
545 CH3O Methoxy radical ch3o  
546 CH3O- methoxy anion ch3o-  
547 CH3O+ Methoxy cation ch3o+  
548 CH3S thiomethoxy ch3s  
549 NH2OH hydroxylamine nh2oh  
550 NH2OH+ Hydroxylamine cation nh2oh+  
551 NH3O Ammonia Oxide nh3o  
552 NH2SH Thiohydroxylamine nh2sh  
553 NH3S sulfidoazane nh3s  
554 H3O2+ hydrogen peroxide, protonated h3o2+  
555 CH3OH Methyl alcohol ch3oh  
556 CH3OH- Methyl alcohol anion ch3oh-  
557 CH3OH+ Methyl alcohol cation ch3oh+  
558 CH3SH+ Methanethiol cation ch3sh+  
559 SiH3OH silanol sih3oh  
560 CH3SeH Methane selenol ch3seh  
561 NH2OH2+ protonated hydroxylamine nh2oh2+  
562 NH3OH+ N-protonated hydroxylamine nh3oh+  
563 H2OH2O water dimer h2oh2o  
564 CH3OH2+ Methanol, protonated ch3oh2+  
565 H2ONH3 Water Ammonia Dimer h2onh3  
566 H5O2+ Dihydroxonium ion h5o2+  
567 LiF lithium fluoride lif  
568 LiCl- lithium chloride anion licl-  
569 LiCl+ lithium chloride cation licl+  
570 NaF sodium fluoride naf  
571 NaF- sodium fluoride anion naf-  
572 NaF+ sodium fluoride cation naf+  
573 KF Potassium Fluoride kf  
574 NaCl- sodium chloride anion nacl-  
575 NaCl+ sodium chloride cation nacl+  
576 KCl Potassium Chloride kcl  
577 CuF Copper monofluoride cuf  
578 LiBr Lithium Bromide libr  
579 LiBr- lithium bromide anion libr-  
580 LiBr+ lithium bromide cation libr+  
581 CuCl Copper monochloride cucl  
582 NaBr Sodium Bromide nabr  
583 NaBr- sodium bromide anion nabr-  
584 NaBr+ sodium bromide cation nabr+  
585 KBr Potassium Bromide kbr  
586 LiI Lithium Iodide lii  
587 NaI Sodium Iodide nai  
588 KI Potassium Iodide ki  
589 LiF- lithium fluoride anion lif-  
590 LiF+ lithium fluoride cation lif+  
591 BeF Beryllium monofluoride bef  
592 BeF- Beryllium monofluoride anion bef-  
593 BeF+ Beryllium monofluoride cation bef+  
594 BeCl beryllium monochloride becl  
595 MgF Magnesium monofluoride mgf  
596 MgF- magnesium fluoride anion mgf-  
597 MgF+ magnesium fluoride cation mgf+  
598 CaF Calcium monofluoride caf  
599 MgCl magnesium monochloride mgcl  
600 MgCl- magnesium monochloride anion mgcl-  
601 MgCl+ magnesium monochloride cation mgcl+  
602 CaCl calcium monochloride cacl  
603 TiCl Titanium Monochloride ticl  
604 ZnF Zinc monofluoride znf  
605 ZnF- Zinc monofluoride anion znf-  
606 ZnF+ Zinc monofluoride cation znf+  
607 ZnCl Zinc monochloride zncl  
608 CaBr Calcium monobromide cabr  
609 BeCl- beryllium monochloride anion becl-  
610 BeCl+ beryllium monochloride cation becl+  
611 BF- Boron monofluoride anion bf-  
612 BF+ Boron monofluoride cation bf+  
613 AlF Aluminum monofluoride alf  
614 AlF- Aluminum monofluoride anion alf-  
615 AlF+ Aluminum monofluoride cation alf+  
616 BCl boron monochloride bcl  
617 BCl- boron monochloride anion bcl-  
618 BCl+ boron monochloride cation bcl+  
619 AlCl- aluminum monochloride anion alcl-  
620 AlCl+ aluminum monochloride cation alcl+  
621 ScF Scandium monofluoride scf  
622 BBr Boron monobromide bbr  
623 GaF Gallium monofluoride gaf  
624 GaF+ Gallium monofluoride cation gaf+  
625 AlBr Aluminum monobromide albr  
626 GaCl Gallium monochloride gacl  
627 GaCl+ Gallium monochloride cation gacl+  
628 AlI Aluminum monoiodide ali  
629 GaBr Gallium monobromide gabr  
630 CF- carbon monofluoride anion cf-  
631 CF+ carbon monofluoride cation cf+  
632 CCl carbon monochloride ccl  
633 CCl- carbon monochloride anion ccl-  
634 CCl+ carbon monochloride cation ccl+  
635 SiF- silicon monofluoride anion sif-  
636 SiCl Clorosilylidyne sicl  
637 SiCl- silicon monochloride anion sicl-  
638 SiCl+ silicon monochloride cation sicl+  
639 CBr Carbon monobromide cbr  
640 GeF Germanium monofluoride gef  
641 GeF+ Germanium monofluoride cation gef+  
642 GeCl Germanium monochloride gecl  
643 GeCl+ Germanium monochloride cation gecl+  
644 SiBr Silicon monobromide sibr  
645 SiBr+ Silicon monobromide cation sibr+  
646 NF- nitrogen monofluorine anion nf-  
647 NF+ nitrogen monofluoirde cation nf+  
648 NCl- nitrogen monochloride anion ncl-  
649 NCl+ nitrogen monochloride cation ncl+  
650 PF phosphorus monofluoride pf  
651 PF- phosphorus monofluoride anion pf-  
652 PF+ phosphorus monofluoride cation pf+  
653 PCl phosphorus chloride pcl  
654 PCl- phosphorus monochloride anion pcl-  
655 PCl+ phosphorus monochloride cation pcl+  
656 AsF Arsenic monofluoride asf  
657 NBr nitrogen monobromide nbr  
658 AsCl Arsenic monochloride ascl  
659 PBr Phosphorus monobromide pbr  
660 SbF Antimony monofluoride sbf  
661 SbCl Antimony monochloride sbcl  
662 FO Oxygen monofluoride fo  
663 FO- flourine oxide anion fo-  
664 FO+ fluorine monoxide cation fo+  
665 ClO- chlorine monoxide anion clo-  
666 ClO+ chlorine monoxide cation clo+  
667 SF- sulfur monofluoride anion sf-  
668 SCl- sulfur monochloride anion scl-  
669 BrO Bromine monoxide bro  
670 BrO- Bromine monoxide anion bro-  
671 BrO+ Bromine monoxide cation bro+  
672 SeF Selenium monofluoride sef  
673 SBr+ Sulfur monobromide cation sbr+  
674 SeCl Selenium monochloride secl  
675 IO Iodine monoxide io  
676 SeBr Selenium monobromide sebr  
677 BrCl Bromine monochloride brcl  
678 F2- flourine diatomic anion f2-  
679 F2+ flourine diatomic cation f2+  
680 ClF- clorine monofluoride anion clf-  
681 ClF+ clorine monofluoride cation clf+  
682 BrF Bromine monofluoride brf  
683 BrF- bromine fluoride anion brf-  
684 BrF+ bromine fluoride cation brf+  
685 BrCl- bromine chloride anion brcl-  
686 BrCl+ bromine chloride cation brcl+  
687 IF Iodine monofluoride if  
688 Br2 Bromine diatomic br2  
689 Br2- bromine diatomic anion br2-  
690 Br2+ bromine diatomic cation br2+  
691 ICl Iodine monochloride icl  
692 IBr Iodine monobromide ibr  
693 I2 Iodine diatomic i2  
694 I2+ Iodine diatomic cation i2+  
695 HCF Fluoromethylene hcf  
696 HCCl Chloromethylene hccl  
697 HSiF fluorosilylene hsif  
698 HSiCl Chlorosilylene hsicl  
699 HSiBr monobromosilylene hsibr  
700 CHBr bromomethylene chbr  
701 HOF Hypofluorous acid hfo  
702 DOCl Hypochlorous acid-d docl  
703 HOCl+ hypochlorous acid cation hocl+  
704 HOBr Hypobromous acid hobr  
705 HOBr+ Hypobromous acid cation hobr+  
706 HOI Hypoiodous acid hoi  
707 F2H+ Fluorine, protonated f2h+  
708 FHF Hydrogen difluoride fhf  
709 FHF- Hydrogen difluoride anion fhf-  
710 ClFH+ Chlorine fluoride, F-protonated clfh+  
711 FClH+ Chlorine fluoride, Cl-protonated fclh+  
712 Cl2H+ Chlorine, protonated cl2h+  
713 CH2Br bromomethyl radical ch2br  
714 CH2F fluoromethyl radical ch2f  
715 CH2F+ fluoromethyl cation ch2f+  
716 CH2Cl+ chloromethyl cation ch2cl+  
717 NH2F monofluoroamine nh2f  
718 NH2Cl chloramine nh2cl  
719 H2F2 Hydrogen fluoride dimer h2f2  
720 CH3F+ methyl fluoride cation ch3f+  
721 CD3F methylfluoride-d3 cd3f  
722 CH3F Methyl fluoride ch3f  
723 CD3Cl methyl chloride d3 cd3cl  
724 CH3Cl+ Methyl chloride cation ch3cl+  
725 SiH3F monofluorosilane sih3f  
726 CH3Br methyl bromide ch3br  
727 GeH3F monofluorogermane geh3f  
728 GeH3Cl monochlorogermane geh3cl  
729 SiH3Br bromosilane sih3br  
730 CH3I methyl iodide ch3i  
731 SiH3I Silyl Iodide sih3i  
732 NH3Cl+ protonated monochloroammonia nh3cl+  
733 CH3ClH+ methyl chloride, protonated ch3clh+  
734 NH4Cl Ammonium chloride nh4cl  
735 LiNe+ Lithium Neon cation line+  
736 Ne2 Neon diatomic ne2  
737 Ne2+ Neon diatomic cation ne2+  
738 Ar2 Argon diatomic ar2  
739 Ar2+ Argon diatomic cation ar2+  
740 Li3 Lithium trimer li3  
741 Li3+ Lithium trimer cation li3+  
742 C3 carbon trimer c3  
743 C3+ carbon trimer cation c3+  
744 SiC2 Silicon dicarbide sic2  
745 C3H3 cyclopropenyl radical cpr  
746 C3H3 Propargyl radical propargyl  
747 C3H3- Propargyl anion c3h3-  
748 C3H3+ cyclopropenyl cation cpr+  
749 C3H3+ Propargyl cation c3h3+  
750 C3H4 cyclopropene cprop  
751 CH3CCH propyne propyne  
752 C3H5 Allyl radical allyl  
753 C3H5+ Allyl cation allyl+  
754 CH3CHCH 1-propenyl radical ch3chch  
755 Zn(CH3)2 dimethyl zinc dmz  
756 C3H6 Cyclopropane c3h6  
757 CH2CHCH3 Propene propene  
758 C3H7 n-Propyl radical npropyl  
759 C3H7+ cyclopropane, protonated c3h7+  
760 CH3CHCH3 Isopropyl radical isopropyl  
761 CH3CHCH3+ Isopropyl cation prop2yl+  
762 C3H8 Propane propane  
763 SiH2(CH3)2 dimethylsilane dms  
764 LiCN lithium cyanide licn  
765 NaCN Sodium Cyanide nacn  
766 KCN Potassium cyanide kcn  
767 CuCN Copper cyanide cucn  
768 ZnCN Zinc monocyanide zncn  
769 ZnNC Zinc isocyanide znnc  
770 AlCN Aluminum monocyanide alcn  
771 AlNC Aluminum isocyanide alnc  
772 CN2 3H-Diazirin-3-ylidene cn2  
773 CNN Diazocarbene cnn  
774 NCN Cyanoimidogen ncn  
775 N3 azide radical n3  
776 N3- azide anion n3-  
777 N3+ azide cation n3+  
778 HCCN cyanomethylene hccn  
779 HCNN diazomethyl radical hcnn  
780 HN3+ Hydrazoic acid cation hn3+  
781 HNCNH diiminomethane hncnh  
782 CH2N2 diazirine ch2n2  
783 NH2CN cyanamide cyanamide  
784 HNNNH+ 1,2-Triazadienium n2h3+  
785 NH2NN+ hydrazoic acid, protonated nh2nn+  
786 CH3CN Acetonitrile ch3cn  
787 CH3CN- acetonitrile anion ch3cn-  
788 CH3CN+ Acetonitrile cation ch3cn+  
789 CH3NC methyl isocyanide ch3nc  
790 CHNCH2 2H-Azirine c157164  
791 CHNHCH 1H-Azirine chnhch  
792 H2CCNH Ethenimine ch2cnh  
793 H2CNCH methyleneaminomethylene ch2nch  
794 HCCNH2 Ethynamine hccnh2  
795 HCNCH2+ 2H-Azirine cation hcnch2+  
796 HNCNH2+ diiminomethane, protonated hncnh2+  
797 NCNH3+ Cyanamide, protonated ncnh3+  
798 NH2CNH+ cyanamide, cn protonated nh2cnh+  
799 NH3CN+ cyanamide, amine protonated nh3cn+  
800 CH2CHNH vinylazine ch2chnh  
801 CH3CHN methylmethaniminyl radical ch3chn  
802 NHCHNH2 aminomethanimine cn2h4  
803 C2H5N Aziridine c2h5n  
804 CH2CHNH2 aminoethene aminoethene  
805 CH2NCH3 N-methylmethanimine nmm  
806 CH3CHNH ethanimine ethanimine  
807 NH2BHNH2 diaminoborane nh2bhnh2  
808 C2H5NH+ Protonated Aziridine c2h5nh+  
809 C2H6N+ aziridine, protonated c2h6n+  
810 NH2CH2NH2 diaminomethane nh2ch2nh2  
811 CH3CH2NH2 Ethylamine etam  
812 CH3NHCH3 Dimethylamine ch3nhch3  
813 CH3PHCH3 dimethylphosphine ch3phch3  
814 NH2CH2NH3+ diaminoethane, protonated pdam  
815 (CH3)2NH2+ dimethylammonium cation dmam  
816 CH3CH2NH3+ ethylamine, protonated pea  
817 Li2O dilithium oxide li2o  
818 Li2O+ dilithium oxide cation li2o+  
819 Na2O disodium monoxide na2o  
820 Na2S Sodium sulfide na2s  
821 LiO2 Lithium dioxide lio2  
822 NaO2 Sodium superoxide nao2  
823 CCO Dicarbon monoxide cco  
824 CNO- fulminate cno-  
825 NCO isocyanato radical nco  
826 NCO- cyanate nco-  
827 SCN thiocyanato radical scn  
828 SCN- thiocyanide anion scn-  
829 BO2 Boron dioxide bo2  
830 BO2- Boron dioxide anion bo2-  
831 BO2+ Boron dioxide cation bo2+  
832 N2O- Nitrous oxide anion n2o-  
833 N2O+ Nitrous oxide cation n2o+  
834 PPO Phosphorus oxide phosphide ppo  
835 CO2- Carbon dioxide anion co2-  
836 CO2+ Carbon dioxide cation co2+  
837 OCS+ Carbonyl sulfide cation cos+  
838 SiO2 silicon dioxide sio2  
839 CS2- Carbon disulfide anion cs2-  
840 CS2+ Carbon disulfide cation cs2+  
841 TiO2 Titanium dioxide tio2  
842 GeO2 Germanium dioxide geo2  
843 OCSe Carbonyl selenide ocse  
844 SCSe Carbon sulfide selenide scse  
845 GeS2 Germanium disulfide ges2  
846 CSe2 Carbon diselenide cse2  
847 SCTe Carbon sulfide Telluride scte  
848 NO2 Nitrogen dioxide no2  
849 NO2- Nitrogen dioxide anion no2-  
850 NO2+ Nitrogen dioxide cation no2+  
851 PO2 Phosphorus dioxide po2  
852 PO2- Phosphorus dioxide anion po2-  
853 PO2+ Phosphorus dioxide cation po2+  
854 AsO2 Aresenic dioxide aso2  
855 O3- Ozone anion o3-  
856 O3+ Ozone cation o3+  
857 SO2- Sulfur dioxide anion so2-  
858 SO2+ Sulfur dioxide cation so2+  
859 SSO Disulfur monoxide sso  
860 S3- Sulfur trimer anion s3-  
861 SeO2 Selenium dioxide seo2  
862 SeO2+ Selenium dioxide cation seo2+  
863 TeO2 Tellurium Dioxide teo2  
864 HCCO ketenyl radical ketenyl  
865 CS2H+ Carbon disulfide, protonated cs2h+  
866 HCNO fulminic acid hcno  
867 HNCO Isocyanic acid hnco  
868 HOCN cyanic acid hocn  
869 HNCS Isothiocyanic acid hncs  
870 HSCN thiocyanic acid hscn  
871 HCO2- formate anion hco2-  
872 HNNO nitrosoazane hnno  
873 HNNO+ Nitrous oxide, N-protonated hnno+  
874 NNOH+ Nitrous Oxide, O-protonated nnoh+  
875 HCOO formate neutral radical hcoo  
876 HOCO Hydrocarboxyl radical hoco  
877 HOCO+ Hydrocarboxyl cation hoco+  
878 HNO2 Nitrous acid hno2  
879 HNO2+ nitrous acid cation hno2+  
880 O3H+ protonated ozone o3h+  
881 SO2H+ protonated sulfur dioxide so2h+  
882 C2H2O Oxirene oxirene  
883 CH2CO Ketene ch2co  
884 CH2CO+ Ketene cation ch2co+  
885 HCCOH ethynol hccoh  
886 Be(OH)2 Beryllium hydroxide beo2h2  
887 Mg(OH)2 Magnesium dihydroxide h2mgo2  
888 NH2NO Nitrosamide nh2no  
889 CH2O2 Dioxirane diox  
890 H2COO Dioxymethyl radical h2coo  
891 H2COO+ dioxymethyl cation h2coo+  
892 H2O3 Hydrogen trioxide h2o3  
893 NaOCH3 Sodium methoxide naoch3  
894 CH2BOH hydroxy(methylene)borane ch2boh  
895 BH3CO Borane carbonyl bh3co  
896 CH3BO Borane, methyloxo- ch3bo  
897 CH2CHO Vinyloxy radical ch2cho  
898 CH2COH+ ketene, protonated ch2coh+  
899 CH3CO Acetyl radical ch3co  
900 CH3CO- Acetyl anion ch3co-  
901 CH3CO+ acetyl cation ch3co+  
902 CH2NOH formaldoxime ch2noh  
903 CH3NO nitrosomethane ch3no  
904 CHONH2 formamide formamide  
905 CNOH3 1,2-oxaziridine cnoh3  
906 HOCHNH hydroxymethylimine hochnh  
907 CHSNH2 thioformamide chsnh2  
908 NHCHSH Methanimidothioic acid nhchsh  
909 CH2OOH CH2OOH radical ch2ooh  
910 CH3OO methylperoxy radical ch3oo  
911 CH3OO- methylperoxy anion ch3oo-  
912 CH3OO+ methylperoxy cation ch3oo+  
913 C2H4O Ethylene oxide c2h4o  
914 C2H4O+ ethylene oxide cation c2h4o+  
915 CH2CHOH ethenol ch2choh  
916 CH3CHO Acetaldehyde ch3cho  
917 CH3CHO+ acetaldehyde cation ch3cho+  
918 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
919 CH2CHSH Ethenethiol ch2chsh  
920 H2CONH2+ protonated formamide h2conh2+  
921 NH2CHOH+ Formamide, O-protonated nh2choh+  
922 NH3CHO+ Formamide, N-Protonated nh3cho+  
923 CH2(OH)2 methanediol ch2o2h2  
924 CH3OOH Methyl peroxide ch3ooh  
925 HSCH2SH Methanedithiol ch4s2  
926 H2OH2CO water formaldehyde dimer h2oh2co  
927 C2H4OH+ ethylene oxide, protonated c2h4oh+  
928 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
929 CH3CH2O Ethoxy radical ethoxy  
930 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
931 CH3CHOH+ acetaldehyde, protonated ch3choh+  
932 CH3OCH2 methoxymethyl radical ch3och2  
933 NH2CH2OH aminomethanol nh2ch2oh  
934 CH3CH2OH Ethanol etoh  
935 CH3OCH3 Dimethyl ether meome  
936 CH3SCH3 Dimethyl sulfide mesme  
937 CH3SCH3+ dimethyl sulfide cation mesme+  
938 CH3SeCH3 dimethylselenide dmse  
939 CH3OHH2O methanol water dimer ch3ohh2o  
940 H2OCH3OH water methanol dimer h2och3oh  
941 CuF2 Copper difluoride cuf2  
942 ZnF2 Zinc difluoride znf2  
943 CNF iso cyanogen fluoride cnf  
944 FCN Cyanogen fluoride fcn  
945 ClCN chlorocyanogen clcn  
946 BrCN Cyanogen bromide brcn  
947 ICN Cyanogen iodide icn  
948 FBO Boron monofluoride monoxide fbo  
949 BeF2 Beryllium fluoride bef2  
950 MgF2 Magnesium fluoride mgf2  
951 BeCl2 Beryllium chloride becl2  
952 MgCl2 Magnesium dichloride mgcl2  
953 CaCl2 Calcium Chloride cacl2  
954 ZnCl2 Zinc dichloride zncl2  
955 BeBr2 Beryllium bromide bebr2  
956 CaBr2 Calcium dibromide cabr2  
957 CaF2 Calcium difluoride caf2  
958 FCO Carbonyl fluoride fco  
959 FCO+ Carbonyl fluoride cation fco+  
960 ClCO carbonyl monochloride clco  
961 BF2 Boron difluoride radical bf2  
962 ClNO Nitrosyl chloride clno  
963 BrNO Nitrosyl bromide brno  
964 INO Nitrosyl iodide ino  
965 CF2 Difluoromethylene cf2  
966 CF2- Difluoromethylene anion cf2-  
967 CF2+ Difluoromethylene cation cf2+  
968 CFCl chlorofluoromethylene cfcl  
969 SiF2 Silicon difluoride sif2  
970 SiF2+ Silicon difluoride cation sif2+  
971 CCl2 dichloromethylene ccl2  
972 CCl2- dichloromethylene anion ccl2-  
973 CCl2+ dichloromethylene cation ccl2+  
974 SiCl2 Dichlorosilylene sicl2  
975 GeF2 Germanium difluoride gef2  
976 CBr2 dibromomethylene cbr2  
977 FOO Dioxygen monofluoride radical foo  
978 FOO+ Fluorine dioxide cation foo+  
979 ClOO chloroperoxy radical cloo  
980 ClOO+ chloroperoxy cation cloo+  
981 OClO- Chlorine dioxide anion oclo-  
982 OClO+ Chlorine dioxide cation oclo+  
983 ClS2 Sulfur chloride cls2  
984 BrOO Bromine dioxide broo  
985 OBrO Bromine dioxide radical obro  
986 NF2 Difluoroamino radical nf2  
987 NF2+ Difluoroamino cation nf2+  
988 PF2 Phosphorus difluoride pf2  
989 PF2+ Phosphorus difluoride cation pf2+  
990 F2O Difluorine monoxide f2o  
991 SF2- sulfur difluoride anion sf2-  
992 SF2+ sulfur difluoride cation sf2+  
993 Cl2O Dichlorine monoxide cl2o  
994 SeF2 Selenium difluoride sef2  
995 BrOCl Bromine hypochlorite brocl  
996 BrOBr Bromine oxide brobr  
997 F3- trifluoride anion f3-  
998 Cl3- trichloride anion cl3-  
999 Br3- tribromide anion br3-  
1000 I3- triiodide i3-  
1001 SFCl Sulfur chloride fluoride sfcl  
1002 HCCF Fluoroacetylene hccf  
1003 HCCF+ fluoroacetylene cation hccf+  
1004 HCCCl Chloroacetylene hcccl  
1005 HCCBr bromoacetylene hccbr  
1006 HFCO formyl fluoride hfco  
1007 HFCO+ formyl fluoride cation hfco+  
1008 COHCl Formyl chloride cohcl  
1009 COHBr Formyl bromide cohbr  
1010 BHF2 Difluoroborane bhf2  
1011 BHCl2 Borane, dichloro- bhcl2  
1012 CHCl2 dichloromethyl radical chcl2  
1013 CHF2 difluoromethyl radical chf2  
1014 CHF2+ difluoromethyl cation chf2+  
1015 CHFCl Chlorofluoromethyl radical chfcl  
1016 CHFCl+ Chlorofluoromethyl cation chfcl+  
1017 CHCl2+ dichloromethyl cation chcl2+  
1018 CHBr2 dibromomethyl radical chbr2  
1019 HOClO Chlorous acid hoclo  
1020 NHF2 difluoramine nhf2  
1021 NHCl2 dichloroamine nhcl2  
1022 CH2FCl fluorochloromethane ch2fcl  
1023 SiH2F2 difluorosilane sih2f2  
1024 CH2BrF Methane, bromofluoro- ch2fbr  
1025 CH2BrCl Methane, bromochloro- ch2clbr  
1026 CH2FI fluoroiodomethane ch2fi  
1027 CH2Br2 dibromomethane ch2br2  
1028 CH2ClI chloroiodomethane ch2cli  
1029 CH2BrI bromoiodomethane ch2bri  
1030 CH2I2 Diiodomethane ch2i2  
1031 SiH2Cl2 dichlorosilane sih2cl2  
1032 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1033 CH2CHF Ethene, fluoro- ch2chf  
1034 CH2CHF+ fluoroethene cation ch2chf+  
1035 C2H3Cl Ethene, chloro- ch2chcl  
1036 C2H3Br vinyl bromide c2h3br  
1037 C2H3I Vinyl iodide c2h3i  
1038 CH2FOH fluoromethanol ch2foh  
1039 CH3OCl methyl hypochlorite ch3ocl  
1040 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1041 CHClCH3 1-chloroethyl radical chclch3  
1042 C2H5F fluoroethane c2h5f  
1043 CH3CH2Cl Ethyl chloride c2h5cl  
1044 CH3SiFH2 fluoromethylsilane ch3sifh2  
1045 C2H5Br Ethyl bromide etbr  
1046 C2H5I Ethyl iodide c2h5i  
1047 KrF2 Krypton difluoride krf2  
1048 XeF2 Xenon difluoride xef2  
1049 B4H10 Tetraborane(10) b4h10  
1050 C4 Carbon tetramer c4  
1051 C4+ Carbon tetramer cation c4+  
1052 C4H2 Diacetylene c4h2  
1053 C4H2+ diacetlyene cation c4h2+  
1054 C2H3CCH 1-Buten-3-yne c2h3cch  
1055 C4H4 cyclobutadiene cbd  
1056 C4H4 Tetrahedrane c4h4  
1057 H2CCCCH2 Butatriene h2cccch2  
1058 C4H6 1-Methylcyclopropene c3100047  
1059 C4H6 Cyclobutene c822355  
1060 C4H6 Methylenecyclopropane c6142730  
1061 CH2CCHCH3 1,2-Butadiene butad12  
1062 CH2CHCHCH2 1,3-Butadiene c106990  
1063 CH3CCCH3 2-Butyne c503173  
1064 CHCCH2CH3 1-Butyne c107006  
1065 CH3CHCHCH2 methylallyl radical c4h7  
1066 C4H8 methylcyclopropane mcp  
1067 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1068 CH2CHCH2CH3 1-Butene bute1  
1069 CH3CHCHCH3 2-Butene, (E)- bute2e  
1070 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1071 B(CH3)3 trimethylborane bme3  
1072 Al(CH3)3 trimethyl aluminum tma  
1073 C(CH3)3 Tert-butyl radical tbutyl  
1074 CH2CH(CH3)2 Isobutyl radical isobutyl  
1075 CH3CHCH2CH3 2-Butyl radical butyl2  
1076 CH3CH(CH3)CH3 Isobutane isobutane  
1077 CH3CH2CH2CH3 Butane butane  
1078 SiH(CH3)3 trimethylsilane trimsi  
1079 Li3N trilithium nitride li3n  
1080 C2N2 Cyanogen c2n2  
1081 C2N2+ Cyanogen cation c2n2+  
1082 P4 Phosphorus tetramer p4  
1083 As4 Arsenic tetramer as4  
1084 HCCCN Cyanoacetylene hcccn  
1085 HCCCN+ Cyanoacetylene cation hcccn+  
1086 H2CNCN cyanamide, methylene ch2ncn  
1087 HNCCNH Ethenediimine hnccnh  
1088 C3H3N acrylonitrile ch2chcn  
1089 C3H3N+ acrylonitrile cation ch2chcn+  
1090 CH3N3 methyl azide ch3n3  
1091 NH2CCNH2 Diaminoacetylene daa  
1092 NH2CH2CN Aminoacetonitrile aan  
1093 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1094 C2H5CN ethyl cyanide c2h5cn  
1095 CH5N3 Guanidine guanidine  
1096 C4H6 Bicyclo[1.1.0]butane c157335  
1097 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1098 H2NCHCHNH2 diaminoethylene dae  
1099 CH6N3+ guanidinium ch6n3+  
1100 C3H7N Cyclopropylamine cpram  
1101 CH7N3 triaminomethane tam  
1102 C3H7N Azetidine azet  
1103 C4H8 cyclobutane cbutane  
1104 C2H8N2 Ethylenediamine ethdiam  
1105 CH3NHNHCH3 dimethyl hydrazine dmh  
1106 CH3CH(NH2)CH3 2-Propanamine pram2  
1107 N(CH3)3 Trimethylamine trimeam  
1108 NH2CH2CH2CH3 1-Propanamine pram1  
1109 P(CH3)3 trimethylphosphine tmp  
1110 N(SiH3)3 trisilylamine tsa  
1111 As(CH3)3 trimethyl arsine tmas  
1112 (CH3)3NH+ protonated trimethyl amine ptma  
1113 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1114 Li2O2 dilithium dioxide li2o2  
1115 Na2O2 disodium dioxide na2o2  
1116 K2O2 dipotassium dioxide k2o2  
1117 C3O Tricarbon monoxide c3o  
1118 B2O2 Diboron dioxide b2o2  
1119 ONNO NO dimer onno  
1120 CO3 Carbon trioxide co3  
1121 CO3-- carbonate co3--  
1122 NO3 Nitrogen trioxide no3  
1123 NO3- nitrate anion no3-  
1124 NO3+ nitrogen trioxide cation no3+  
1125 SO3- Sulfur trioxide anion so3-  
1126 SO3-- Sulfate dianion so3--  
1127 SO3+ Sulfur trioxide cation so3+  
1128 SeO3 selenium trioxide seo3  
1129 TeO3 Tellurium trioxide teo3  
1130 HCO3- bicarbonate anion hco3-  
1131 HNO3 Nitric acid hno3  
1132 HSO3 Hydroxysulfonyl radical hso3  
1133 NH2NO2 nitramide nh2no2  
1134 C2H2CO cyclopropenone c2h2co  
1135 C3H2O Propadienal c3h2o  
1136 HCCCHO 2-propynal hcccho  
1137 C2H2O2 Ethanedial c2h2o2  
1138 C2H2O2+ Ethanedial cation c2h2o2+  
1139 H2CO3 Carbonic acid h2co3  
1140 H2CS3 thiocarbonic acid h2cs3  
1141 H2NO3+ Nitric Acid, Protonated h2no3+  
1142 H2SO3 Sulfurous acid h2so3  
1143 C2H3NO Nitrosoethylene c2h3no  
1144 CH3NCO methylisocyante ch3nco  
1145 HOCH2CN cyanomethanol hoch2cn  
1146 CH3COO- acetate anion ch3coo-  
1147 CH3NO2 Methane, nitro- ch3no2  
1148 CH3ONO Methyl nitrite ch3ono  
1149 NH2COOH Carbamic acid nh2cooh  
1150 H3BO3 Boric acid h3bo3  
1151 H3CO3+ carbonic acid, protonated h3co3+  
1152 C3H4O 2-Propyn-1-ol c107197  
1153 C3H4O allenol c9000071  
1154 C3H4O Cyclopropanone cpone  
1155 C3H4O Methylketene c6004440  
1156 CH2CHCHO Acrolein c3h4o  
1157 NH2CONH2 Urea urea  
1158 NH2CONH2+ Urea cation urea+  
1159 NH2CSNH2 Thiourea thiourea  
1160 C2H4O2 1,3-dioxetane c2h4o2  
1161 CH3COOH Acetic acid ch3cooh  
1162 CH3OCHO methyl formate ch3ocho  
1163 CHOCH2OH hydroxy acetaldehyde haa  
1164 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1165 NH3COOH+ protonated Carbamic acid nh3cooh+  
1166 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1167 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1168 HCOOHH2O Formic acid water dimer hcoohh2o  
1169 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1170 CH3COCH2 Acetonyl radical ch3coch2  
1171 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1172 CH3C(OH)=NH Ethaninidic acid eia  
1173 CH3CHNOH Acetaldoxime acetaldoxime  
1174 CH3CONH2 Acetamide acetamide  
1175 HCONHCH3 N-methylformamide nmfa  
1176 CH5N2O+ urea, N-protonated ch4n2o+  
1177 H2NCOHNH2+ urea, protonated ureah+  
1178 C2H5OO ethylperoxy radical c2h5oo  
1179 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1180 C3H5OH Cyclopropanol cproh  
1181 C3H6O 2-Propen-1-ol c107186  
1182 C3H6O Acetone enol enol  
1183 C3H6O Oxetane oxetane  
1184 C3H6O Propylene oxide prox  
1185 CH3CH2CHO Propanal propanal  
1186 CH3COCH3 Acetone acetone  
1187 CH3COCH3- acetone anion ch3coch3-  
1188 C3H6S Thietane thietane  
1189 C3H6S Thiirane, methyl- methiirane  
1190 CH3CSCH3 Thioacetone ch3csch3  
1191 C2H6O2 1,2-Ethanediol ethdiol  
1192 CH3OOCH3 dimethylperoxide dmp  
1193 CH3SOCH3 Dimethyl sulfoxide dmso  
1194 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1195 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1196 CH3COHCH3+ acetone, protonated acetoneh+  
1197 HOCH2CH2NH2 monoethanolamine mea  
1198 C3H7OH 1-Propanol proh  
1199 CH3CHOHCH3 Isopropyl alcohol isoproh  
1200 CH3OC2H5 Ethane, methoxy- etome  
1201 C3H7SH 1-Propanethiol prsh  
1202 CH3CHSHCH3 2-Propanethiol isoprsh  
1203 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1204 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1205 Li2F2 Lithium fluoride dimer li2f2  
1206 Na2F2 Sodium Fluoride Dimer na2f2  
1207 Na2Cl2 Disodium dichloride na2cl2  
1208 C2F2 difluoroacetylene c2f2  
1209 C2Cl2 dichloroacetylene c2cl2  
1210 C2Cl2+ dichloroacetylene cation c2cl2+  
1211 FNO2 Nitryl fluoride fno2  
1212 FONO Nitrosyl hypofluorite fono  
1213 ClNO2 Nitryl chloride clno2  
1214 ClONO chlorine nitrite clono  
1215 BrONO Bromine nitrite brono  
1216 N2F2 (Z)-Difluorodiazene n2f2_z  
1217 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1218 CF2O Carbonic difluoride f2co  
1219 CF2O+ Carbonic difluoride cation f2co+  
1220 COFCl Carbonic chloride fluoride cofcl  
1221 CCl2O Phosgene cl2co  
1222 Cl2CS Thiophosgene cl2cs  
1223 COBr2 Carbonic dibromide cobr2  
1224 BF3- Borane, trifluoro- anion bf3-  
1225 BF3+ boron trifluoride cation bf3+  
1226 BClF2 Chlorodifluoroborane bclf2  
1227 AlF2Cl Aluminum chloride difluoride alclf2  
1228 ScF3 Scandium trifluoride ScF3  
1229 AlFCl2 Aluminum dichloride fluoride alcl2f  
1230 BCl3 Borane, trichloro- bcl3  
1231 BCl3+ Boron Trichloride cation bcl3+  
1232 GaF3 Gallium trifluoride gaf3  
1233 AlCl3 Aluminum trichloride alcl3  
1234 GaCl3 Gallium trichloride gacl3  
1235 BBr3 Boron tribromide bbr3  
1236 AlBr3 Aluminum Bromide albr3  
1237 ClO3 Chlorine trioxide clo3  
1238 ClO3- chlorate anion clo3-  
1239 BrO3- Bromate anion bro3-  
1240 CF3 Trifluoromethyl radical cf3  
1241 CF3- Trifluoromethyl anion cf3-  
1242 CF3+ Trifluoromethyl cation cf3+  
1243 CF2Cl difluorochloromethyl radical cf2cl  
1244 SiF3+ Silicon trifluoride cation sif3+  
1245 CFCl2 dichlorofluoromethyl radical cfcl2  
1246 CCl3 Trichloromethyl radical ccl3  
1247 CCl3- Trichloromethyl anion ccl3-  
1248 CCl3+ Trichloromethyl cation ccl3+  
1249 SiCl3 trichlorosilyl radical sicl3  
1250 SiCl3+ trichlorosilyl cation sicl3+  
1251 CBr3 tribromomethyl radical cbr3  
1252 FOOF Perfluoroperoxide foof  
1253 ClOOCl Dichlorine dioxide cloocl  
1254 SOCl2 thionyl chloride socl2  
1255 SeOCl2 selenium oxychloride seocl2  
1256 NF3 Nitrogen trifluoride nf3  
1257 NF3- Nitrogen trifluoride anion nf3-  
1258 NF3+ Nitrogen trifluoride cation nf3+  
1259 PF3 Phosphorus trifluoride pf3  
1260 NCl3 nitrogen trichloride ncl3  
1261 AsF3 Arsenic trifluoride asf3  
1262 PCl3 Phosphorus trichloride pcl3  
1263 SbF3 Antimony Trifluoride sbf3  
1264 AsCl3 Arsenous trichloride ascl3  
1265 SbCl3 Antimony Trichloride sbcl3  
1266 NBr3 Nitrogen Tribromide nbr3  
1267 PBr3 Phosphorus tribromide pbr3  
1268 AsBr3 Arsenic tribromide asbr3  
1269 NI3 Nitrogen triiodide ni3  
1270 PI3 Phosphorus triiodide pi3  
1271 ClSSCl Disulfur dichloride s2cl2  
1272 BrF3 Bromine trifluoride brf3  
1273 IF3 iodone trifluoride if3  
1274 CHF3 Methane, trifluoro- chf3  
1275 CHF2Cl difluorochloromethane chf2cl  
1276 SiHF3 trifluorosilane sihf3  
1277 CHFCl2 fluorodichloromethane chfcl2  
1278 CDCl3 trichloromethane-d cdcl3  
1279 CHCl3 Chloroform chcl3  
1280 CHBrF2 Methane, bromodifluoro- chbrf2  
1281 SiHCl3 Trichlorosilane sihcl3  
1282 CHFClBr fluorochlorobromomethane chfclbr  
1283 CHBrCl2 Methane, bromodichloro- chbrcl2  
1284 CHF2I difluoroiodomethane chf2i  
1285 CHBr2F dibromofluoromethane chbr2f  
1286 CHFClI fluorochloroiodomethane chfcli  
1287 CHCl2I dichloroiodomethane chcl2i  
1288 CHClBr2 Methane, dibromochloro- chclbr2  
1289 CHBr3 bromoform chbr3  
1290 CHI3 Iodoform chi3  
1291 NF3H+ protonated nitrogen trifluoride nf3h+  
1292 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1293 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1294 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1295 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1296 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1297 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1298 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1299 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1300 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1301 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1302 C2H2Br2 1,1-dibromoethene c2h2br2  
1303 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1304 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1305 CH2FCHO Fluoroacetaldehyde ch2fcho  
1306 CH3COF Acetyl fluoride ch3cof  
1307 CH2ClCHO chloroacetaldehyde ch2clcho  
1308 CH3COCl Acetyl Chloride ch3cocl  
1309 C2H4F2 1,2-difluoroethane c2h4f2  
1310 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1311 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1312 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1313 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1314 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1315 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1316 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1317 CH2CFCH3 2-fluoropropene 2fpro  
1318 CH2CHCH2F Allyl Fluoride allylf  
1319 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1320 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1321 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1322 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1323 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1324 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1325 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1326 CH2FCH2CH3 1-Fluoropropane prf1  
1327 CH3CHFCH3 2-Fluoropropane prf2  
1328 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1329 CH3CHClCH3 Propane, 2-chloro- prcl2  
1330 CH3CH2CH2Br n-propyl bromide prbr  
1331 CH3CHBrCH3 i-propyl bromide iprbr  
1332 C3H9O+ trimethyl oxonium cation c3h9o+  
1333 B5H9 pentaborane9 b5h9  
1334 C5H4 pentatetraene ptrene  
1335 C5H5 cyclopentadienyl radical c5h5  
1336 C5H5- cylopentadienyl anion c5h5-  
1337 C5H6 1,3-Cyclopentadiene c542927  
1338 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1339 C5H6 3-Penten-1-yne, (E)- c2004695  
1340 C5H6 3-Penten-1-yne, (Z)- c1574409  
1341 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1342 C5H6 Cyclopropylacetylene c6746947  
1343 C5H6 Propellane propellane  
1344 C5H7 1,3-pentadienyl radical pdyl  
1345 C5H7 cyclopentenyl radical cpyl  
1346 C5H8 1,2-Butadiene, 3-methyl- c598254  
1347 C5H8 1,2-Pentadiene c591957  
1348 C5H8 1,3-Butadiene, 2-methyl- c78795  
1349 C5H8 1,3-Pentadiene, (E)- c2004708  
1350 C5H8 1,3-Pentadiene, (Z)- c1574410  
1351 C5H8 1,4-Pentadiene c591935  
1352 C5H8 1-pentyne a1pentyne  
1353 C5H8 2,3-Pentadiene c591968  
1354 C5H8 Bicyclo[1.1.1]pentane bcp  
1355 C5H8 Cyclobutane, methylene- c1120565  
1356 C5H8 Cyclopentene c142290  
1357 C5H8 Ethenylcyclopropane c693867  
1358 CH3CCCH2CH3 2-Pentyne 2pentyne  
1359 C5H10 1-Butene, 2-methyl- c563462  
1360 C5H10 2-Butene, 2-methyl- c513359  
1361 C5H10 2-Pentene, (E)- c646048  
1362 C5H10 2-Pentene, (Z)- c627203  
1363 C5H10 Cyclopentane c287923  
1364 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1365 CH2CHCH2CH2CH3 1-pentene pentene  
1366 C5H11 2-Methylbut-2-yl radical c4348350  
1367 C5H12 Butane, 2-methyl- buta2  
1368 C5H12 Pentane pentane  
1369 C5H12 Propane, 2,2-dimethyl- neopentane  
1370 Si(CH3)4 tetramethylsilane tms  
1371 N2O3 Dinitrogen trioxide n2o3  
1372 C3H2N2 Malononitrile c3h2n2  
1373 CH2N4 1H-Tetrazole 1htz  
1374 C3H3N2 imidazolyl radical im  
1375 C3H3N2- imidizolyl anion im-  
1376 C2H3N3 1H-1,2,4-Triazole c288880  
1377 C4H4N pyrrolide radical c4h4n  
1378 C4H4N- pyrrolide anion c4h4n-  
1379 C3H4N2 1H-Imidazole 1himidaz  
1380 C3H4N2 1H-Pyrazole 1hpyraz  
1381 C3H4N2 2H-Imidazole imid2h  
1382 C3H4N2 4H-Imidazole imid4h  
1383 C4H5N (E)-2-Butenenitrile c627269  
1384 C4H5N (Z)-2-Butenenitrile c1190767  
1385 C4H5N 2H-pyrrole pyrrole2  
1386 C4H5N 3H-pyrrole pyrrole3  
1387 C4H5N Cyclopropanecarbonitrile c5500210  
1388 C4H5N Pyrrole pyrrole  
1389 CH2CHCH2CN Allylcyanide ch2chch2cn  
1390 C4H6N+ pyrrole, alpha-protonated appyr  
1391 C4H6N+ pyrrole, beta-protonated bppyr  
1392 C4H6N+ pyrrole, protonated ppyr  
1393 C3H6N2 3-Aminopropionitrile c151188  
1394 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1395 CH3CH2CH2CN Butanenitrile c109740  
1396 C5H8 Bicyclo[2.1.0]pentane c185944  
1397 C5H8 Spiropentane c157404  
1398 C4H9N Cyclobutylamine cbam  
1399 C4H9N Pyrrolidine pyrrolidine  
1400 C3H10N2 1,2-Diaminopropane diampr12  
1401 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1402 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1403 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1404 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1405 NH(C2H5)2 diethylamine dea  
1406 NC4H12+ tetramethyl ammonium cation nc4h12+  
1407 C3O2 Carbon suboxide c3o2  
1408 C3O2+ Carbon suboxide cation c3o2+  
1409 B2O3 diboron trioxide b2o3  
1410 MgCO3 Magnesium Carbonate mgco3  
1411 BeCO3 Beryllium Carbonate beco3  
1412 CaCO3 Calcium Carbonate caco3  
1413 ONONO Nitrosyl nitrite onono  
1414 PO4--- phosphate po4---  
1415 SO4-- sulfate so4--  
1416 HOONO2 peroxy nitric acid hoono2  
1417 HSO4- bisulfate anion hso4-  
1418 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1419 C3H2O2 Propiolic acid c3h2o2  
1420 CHOCOOH oxo acetic acid oaa  
1421 CHOOCHO diformyl ether choocho  
1422 H2SO4 Sulfuric acid h2so4  
1423 H2SeO4 Selenic acid h2seo4  
1424 C3H3NO Isoxazole isox  
1425 C3H3NO Oxazole oxazole  
1426 C3H3NS Thiazole thiazole  
1427 CH3C(O)OO acetyl peroxy radical ch3coo2  
1428 CH3NO3 Methyl nitrate ch3no3  
1429 H3PO4 Phosphoric Acid h3po4  
1430 C4H4O Furan furan  
1431 C4H4O+ Furan cation furan+  
1432 CH3COCCH 3-butyn-2-one c1423605  
1433 C4H4S Thiophene furans  
1434 C4H4Se selenophene c4h4se  
1435 C3H4O2 β–Propiolactone beta  
1436 C3H4O2 2-Propenoic acid propenoic2  
1437 C3H4O2 Methyl glyoxal megly  
1438 C3H4O2 propanedial propanedial  
1439 C3H4O2 propenalol propenalol  
1440 HOCHCCHOH allenediol aldiol  
1441 C2H4O3 1,2,3-trioxolane c2h4o3  
1442 C2H4O3 trioxolane124 triox  
1443 HOCH2COOH Hydroxyacetic acid hac  
1444 CH2CHCONH2 Acrylamide c79061  
1445 CH3OCH2CN Methoxyacetonitrile c1738369  
1446 CH5N3S Hydrazinecarbothioamide c79196  
1447 H2NCH2COOH Glycine glycine  
1448 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1449 C4H6O cis-2-butenal butenal2c  
1450 C4H6O Cyclobutanone cbutone  
1451 C4H6O Furan, 2,3-dihydro- furan23h  
1452 C4H6O Furan, 2,5-dihydro- furan25h  
1453 CH2CHOCHCH2 Vinyl ether vinylether  
1454 CHOCHCHCH3 2-Butenal butenal2  
1455 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1456 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1457 CH2CHSCHCH2 Divinyl sulfide divis  
1458 C2H6N2O Urea, methyl- c598505  
1459 C3H6O2 1,3-Dioxolane dioxolane  
1460 CH3CH2COOH Propanoic Acid propanoic  
1461 CH3COOCH3 methyl acetate aame  
1462 HCOOC2H5 Ethyl formate faee  
1463 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1464 C3H7NO dimethylformamide dmf  
1465 C3H7NO Propanamide propanam  
1466 C2H3OC2H5 Ethene, ethoxy- c109922  
1467 C4H8O Cyclobutanol c2919235  
1468 C4H8O Furan, tetrahydro- thf  
1469 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1470 CH3COCH2CH3 2-Butanone buta2one  
1471 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1472 CHOCH2CH2CH3 Butanal butanal  
1473 C4H8S Thiophene, tetrahydro- tht  
1474 C3H8O2 1,3-Propanediol c504632  
1475 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1476 C3H8O2 Methane, dimethoxy- c109875  
1477 C3H8O2 Propylene glycol c57556  
1478 C3H8S2 1,3-Propanedithiol c109808  
1479 C4H10O 1-Butanol butanol1  
1480 C4H10O 1-Propanol, 2-methyl- c78831  
1481 C4H10O 2-Butanol, (.+/-.)- butanol2  
1482 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1483 C4H10O Ethoxy ethane etoet  
1484 C4H10O Methyl propyl ether meopr  
1485 C4H10O Propane, 2-methoxy- c598538  
1486 C4H10O+ 1-Butanol cation butanol1+  
1487 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1488 C2H5SC2H5 Diethyl sulfide etset  
1489 C4H9SH 1-Butanethiol bush  
1490 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1491 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1492 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1493 FNO3 Fluorine nitrate fno3  
1494 ClONO2 Chlorine nitrate clono2  
1495 BrONO2 Bromine nitrate brono2  
1496 TiCl4 Titanium tetrachloride ticl4  
1497 ClO4- perchlorate anion clo4-  
1498 BF4- tetrafluoroboron anion bf4-  
1499 ClFO3 Perchloryl fluoride clfo3  
1500 SO2F2 Sulfuryl fluoride so2f2  
1501 SO2Cl2 Sulfuryl chloride so2cl2  
1502 F3NO Nitrogen trifluoride oxide f3no  
1503 F3PO Phosphoryl fluoride pf3o  
1504 Cl3PO Phosphoryl chloride pcl3o  
1505 CF4 Carbon tetrafluoride cf4  
1506 CF3Cl Methane, chlorotrifluoro- cf3cl  
1507 SiF4 Silicon tetrafluoride sif4  
1508 TiF4 Titanium tetrafluoride tif4  
1509 CFCl3 Trichloromonofluoromethane cfcl3  
1510 CF3Br Bromotrifluoromethane cf3br  
1511 GeF4 Germanium tetrafluoride gef4  
1512 CCl4 Carbon tetrachloride ccl4  
1513 CCl4+ Carbon tetrachloride cation ccl4+  
1514 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1515 SiCl4 Silane, tetrachloro- sicl4  
1516 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1517 CF3I trifluoroiodomethane cf3i  
1518 CBrCl3 Methane, bromotrichloro- cbrcl3  
1519 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1520 GeCl4 Germanium Tetrachloride gecl4  
1521 CBr2ClF dibromochlorofluoromethane cbr2clf  
1522 CBr2Cl2 dibromodichloromethane cbr2cl2  
1523 CCl3I trichloroiodomethane ccl3i  
1524 CFBr3 fluorotribromomethane cfbr3  
1525 CFClBrI fluorochlorobromoiodomethane cfclbri  
1526 CBr3Cl tribromochloromethane cbr3cl  
1527 CF2I2 difluorodiiodomethane cf2i2  
1528 CBr4 Carbon tetrabromide cbr4  
1529 CCl2I2 dichlorodiiodomethane ccl2i2  
1530 SiBr4 Silicon tetrabromide sibr4  
1531 CBr3I tribromoiododmethane cbr3i  
1532 GeBr4 Germanium tetrabromide gebr4  
1533 CI4 tetraiodomethane ci4  
1534 SiI4 silicon tetraiodide sii4  
1535 ClOF3 Chlorine trifluoride oxide clof3  
1536 SeF4 Selenium tetrafluoride sef4  
1537 SCl4 Sulfur tetrachloride scl4  
1538 C2HF3 Trifluoroethylene c2hf3  
1539 C2HF3+ Trifluoroethylene cation c2hf3+  
1540 CHClCCl2 Trichloroethylene chclccl2  
1541 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1542 HSO3F Fluorosulfonic acid hso3f  
1543 CF3OH trifluoromethanol cf3oh  
1544 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1545 CHClCCHCl 1,3-dichloroallene chclcchcl  
1546 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1547 CHCl2CHO dichloroacetaldehyde chcl2cho  
1548 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1549 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1550 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1551 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1552 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1553 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1554 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1555 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1556 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1557 NH3BCl3 Amminetrichloroboron nh3bcl3  
1558 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1559 C3H5ClO Oxirane, (chloromethyl)- c106898  
1560 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1561 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1562 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1563 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1564 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1565 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1566 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1567 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1568 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1569 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1570 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1571 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1572 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1573 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1574 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1575 C4H9F 1-fluorobutane butaf1  
1576 CH3CHFCH2CH3 2-fluorobutane butaf2  
1577 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1578 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1579 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1580 XeF4 Xenon tetrafluoride xef4  
1581 C2H2N2O Furazan furazan  
1582 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1583 NH3BF3 Amminetrifluoroboron nh3bf3  
1584 C6H2 hexatriyne c6h2  
1585 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1586 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1587 C6H4 Benzyne benzyne  
1588 C6H5 phenyl phenyl  
1589 C6H5- phenyl anion phenyl-  
1590 C6H6 Prismane prismane  
1591 C6H6 1,2,4,5-Hexatetraene ht1245  
1592 C6H6 2,4-Hexadiyne hexadiyne  
1593 C6H6 3,4-Dimethylenecyclobutene cb34m  
1594 C6H6 Benzene benzene  
1595 C6H6 Benzvalene bv  
1596 C6H6 Dewar Benzene dewar  
1597 C6H6 Hexa-1,5-diene-3-yne hdy153  
1598 C6H6 Trimethylenecycopropane tmcp  
1599 C6H6+ Benzene cation c6h6+  
1600 C6H7+ benzene, protonated c6h7+  
1601 C6H8 (E)-hexa-1,3,5-triene c821078  
1602 C6H8 (E)-hexa-2,3,4-triene c59660650  
1603 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1604 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1605 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1606 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1607 C6H8 3-Methylenecyclopentene c930267  
1608 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1609 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1610 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1611 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1612 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1613 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1614 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1615 C6H10 1,5-Hexadiene c592427  
1616 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1617 C6H10 1-Hexyne hexyne1  
1618 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1619 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1620 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1621 C6H10 2-Hexyne c764352  
1622 C6H10 3-Hexyne hexyne3  
1623 C6H10 cyclohexene cyclohexene  
1624 C6H10 Cyclopentene, 1-methyl- c693890  
1625 C6H10 Cyclopentene, 3-methyl- c1120623  
1626 C6H10 Cyclopentene, 4-methyl- c1759815  
1627 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1628 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1629 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1630 C6H12 (E)-2-Hexene e2hexene  
1631 C6H12 (E)-3-methylpent-2-ene c616126  
1632 C6H12 (E)-hex-3-ene e3hexene  
1633 C6H12 (Z)-3-methylpent-2-ene c922623  
1634 C6H12 (Z)-hex-2-ene z2hexene  
1635 C6H12 (Z)-hex-3-ene z3hexene  
1636 C6H12 2,3-dimethylbut-1-ene c563780  
1637 C6H12 2,3-dimethyl-but-2-ene tmeet  
1638 C6H12 3-methylenepentane c760214  
1639 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1640 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1641 C6H12 Cyclohexane cyclohexane  
1642 C6H12 Cyclopentane, methyl- c96377  
1643 C6H12 Ethylcyclobutane c4806615  
1644 C6H12 hex-1-ene hexene1  
1645 C6H14 Butane, 2,2-dimethyl- buta22  
1646 C6H14 Butane, 2,3-dimethyl- buta23  
1647 C6H14 Hexane hexane  
1648 C6H14 Pentane, 2-methyl- penta2  
1649 C6H14 Pentane, 3-methyl- penta3  
1650 C4N2 2-Butynedinitrile c4n2  
1651 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1652 C4H2N2 Fumaronitrile c4h2n2  
1653 C2H2N4 sym-tetrazine ttz  
1654 C3H3N3 1,3,5-Triazine triazine135  
1655 CH3N5 5-Aminotetrazole c4418615  
1656 C4H4N2 1,3-Diazine diazine13  
1657 C4H4N2 Pyrazine pyrazine  
1658 C4H4N2 Pyridazine pyridazine  
1659 C4H4N2 Succinonitrile c110612  
1660 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1661 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1662 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1663 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1664 C5H5N E-2,4-pentadienenitrile bdcn  
1665 C5H5N Pyridine pyridine  
1666 B3N3H6 borazine borazine  
1667 C6H6 Fulvene fulvene  
1668 C5H6N+ Pyridinium c5h6n  
1669 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1670 C5H7N (E)-2-Pentenenitrile c26294984  
1671 C5H7N (E)-3-Pentenenitrile c16529661  
1672 C5H7N (Z)-2-Pentenenitrile c25899507  
1673 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1674 C5H7N Cyclobutanecarbonitrile c4426113  
1675 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1676 C5H9N Butanenitrile, 2-methyl- c18936179  
1677 C5H9N Pentanenitrile c110598  
1678 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1679 C6H10 Bicyclo[3.1.0]hexane c285585  
1680 C5H11N Cyclopentanamine cypentam  
1681 C5H11N Piperidine piper  
1682 C4H12N2 1,2-Butanediamine c4426486  
1683 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1684 Li2CO3 Lithium Carbonate li2co3  
1685 Na2CO3 Sodium Carbonate na2co3  
1686 C2O4-- oxalate anion c2o4  
1687 MgSO4 Magnesium Sulfate mgso4  
1688 N2O4 Dinitrogen tetroxide n2o4  
1689 C3H2O3 vinylene carbonate vica  
1690 C2H2O4 Oxalic Acid oxalic  
1691 C2H3NO3 Oxamic acid oxamic  
1692 C4H4O2 2(5H)-Furanone furanone  
1693 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1694 C2H4N2O2 Oxalamide oxalamide  
1695 C2H4N2S2 Ethanedithioamide c79403  
1696 C2H4CO3 Ethylene carbonate etco3  
1697 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1698 C3H4S3 1,3-Dithiolane-2-thione c822388  
1699 C2H4O4 Formic acid dimer fadimer  
1700 C4H5NO 3-Methylisoxazole isox3m  
1701 C4H5NO Isoxazole, 5-methyl- c5765446  
1702 C4H5NS 4-Methylthiazole c693958  
1703 C2H5NO3 Nitric acid, ethyl ester c625581  
1704 C5H6O 2H-Pyran pyran2  
1705 C5H6O 2-methylfuran furan2m  
1706 C5H6O 3-Methylfuran furan3m  
1707 C5H6O Pentadienal pdal  
1708 C5H6S Thiophene, 2-methyl- c554143  
1709 C5H6S Thiophene, 3-methyl- c616444  
1710 C4H6O2 γ–Butyrolactone c96480  
1711 C4H6O2 2,3-Butanedione c431038  
1712 C4H6O2 2-Propenoic acid, methyl ester c96333  
1713 C4H6O2 Crotonic Acid crot  
1714 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1715 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1716 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1717 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1718 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1719 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1720 C4H6OS Vinyl sulfoxide c1115157  
1721 CH6N4S Carbonothioic dihydrazide thiacarb  
1722 C2H6N2O2 (E)-Azodioxymethane c37765154  
1723 C2H6N2O2 Dimethylnitroamine c4164287  
1724 C3H6O3 1,3,5-Trioxane trioxane  
1725 C3H6S3 1,3,5-Trithiane c3h6s3  
1726 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1727 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1728 C4H7NO 2-Pyrrolidinone c616455  
1729 C4H7NO Ethoxyacetonitrile etoaccn  
1730 C4H7NO Methacrylamide c79390  
1731 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1732 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1733 C3H7ONO Propyl nitrite prono  
1734 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1735 CH3CH(NH2)COOH Alanine alanine  
1736 CH3NHCH2COOH Sarcosine sarcosine  
1737 NH2CH2CH2COOH β–alanine betaalanine  
1738 NH2COOC2H5 Urethane urethane  
1739 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1740 C5H8O Cyclopentanone c120923  
1741 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1742 C5H8O Methyl cyclopropyl ketone c765435  
1743 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1744 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1745 NH2CONHC2H5 Urea, ethyl- c625525  
1746 C4H8O2 1,3-Dioxane dioxan13  
1747 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1748 C4H8O2 1,4-Dioxane dioxan14  
1749 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1750 C4H8O2 Ethyl acetate c141786  
1751 C4H8OS s-Ethyl thioacetate c625605  
1752 C3H8O3 1,2,3-Propanetriol glycerin  
1753 C3H8O2S (Methylsulfonyl)ethane c594434  
1754 C4H9NO Butanamide c541355  
1755 C4H9NO Propanamide, 2-methyl- c563837  
1756 C5H10O 2-Butanone, 3-methyl- c563804  
1757 C5H10O 2H-Pyran, tetrahydro- c142687  
1758 C5H10O 2-methylbutyraldehyde 2meba  
1759 C5H10O 2-Pentanone mpk  
1760 C5H10O 3-Pentanone dek  
1761 C5H10O Cyclopentanol c96413  
1762 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1763 C5H10O Pentanal pal  
1764 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1765 C5H10S 3-Ethylthio-1-propene c5296628  
1766 C5H10S Cyclopentanethiol c1679078  
1767 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1768 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1769 C4H10O2 1,1-Dimethoxyethane c534156  
1770 C4H10O2 1,3-Butanediol budiol13  
1771 C4H10O2 1,4-Butanediol budiol14  
1772 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1773 C4H10OS Diethyl sulfoxide c70291  
1774 C4H10S2 1,4-Butanedithiol budisl14  
1775 C4H11NO Diethylhydroxylamine c3710847  
1776 C5H12O 1-Butanol, 2-methyl- c137326  
1777 C5H12O 1-Butanol, 3-methyl- c123513  
1778 C5H12O 1-Pentanol pentanol1  
1779 C5H12O 2-Butanol, 3-methyl- c598754  
1780 C5H12O 2-Pentanol peol2  
1781 C5H12O 3-Pentanol pentan3ol  
1782 C5H12O Butane, 1-methoxy- meobu  
1783 C5H12O Propane, 1-ethoxy- proet  
1784 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1785 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1786 C5H12S 1-Butanethiol, 3-methyl- c541311  
1787 C5H12S 1-Pentanethiol c110667  
1788 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1789 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1790 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1791 C5H12S Butane, 1-(methylthio)- c628295  
1792 C5H12S Ethyl propyl sulfide c4110503  
1793 C5H12S Propane, 2-(ethylthio)- c5145993  
1794 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1795 C4F2 difluorobutadiyne c4f2  
1796 ClCOClCO Oxalyl chloride oxcl  
1797 CF3CN Acetonitrile, trifluoro- cf3cn  
1798 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1799 B2F4 Diboron tetrafluoride b2f4  
1800 C2F4 Tetrafluoroethylene c2f4  
1801 C2F4+ Tetrafluoroethylene cation c2f4+  
1802 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1803 CF2CCl2 difluorodichloroethylene cf2ccl2  
1804 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1805 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1806 C2FCl3 fluorotrichloroethene c2fcl3  
1807 C2Cl4 Tetrachloroethylene c2cl4  
1808 C2Br4 tetrabromoethene c2br4  
1809 CF3OF Trifluoromethylhypofluorite cf3of  
1810 AsF5 Arsenic pentafluoride asf5  
1811 PCl5 Phosphorus pentachloride pcl5  
1812 SF5 Sulfur pentafluoride sf5  
1813 SF5+ pentafluoro sulfur cation sf5+  
1814 SbCl5 Antimony pentachloride sbcl5  
1815 BrF5 bromine pentafluoride brf5  
1816 IF5 pentafluoroiodine if5  
1817 CF3CHO trifluoroacetaldehyde cf3cho  
1818 CCl3CHO trichloroacetaldehyde ccl3cho  
1819 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1820 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1821 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1822 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1823 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1824 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1825 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1826 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1827 CF3COOH trifluoroacetic acid cf3cooh  
1828 C4H3ClO Furan, 2-chloro fur2cl  
1829 C4H3ClO Furan,3-chloro fur3cl  
1830 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1831 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1832 C4H8Cl2 1,4-Dichlorobutane c110565  
1833 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1834 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1835 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1836 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1837 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1838 C5H11Cl Pentane, 1-chloro- pencl1  
1839 C4H8O2 Butanoic acid bua  
1840 C6H5CH2 benzyl radical benzyl  
1841 C7H7 cycloheptatrienyl radical c7h7  
1842 C7H7+ cycloheptatrienyl cation c7h7+  
1843 C6H5CH3 toluene toluene  
1844 C7H8 cycloheptatriene cht  
1845 C7H8 Norbornadiene norbor  
1846 C7H8 Quadricyclane qucy  
1847 C7H12 Norbornane nor  
1848 C7H14 cycloheptane c7h14  
1849 C7H16 2-methylhexane 2mhex  
1850 C7H16 3-methylhexane hex3m  
1851 C7H16 heptane heptane  
1852 CH(CN)3 tricyanomethane mecn3  
1853 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1854 C6H7N 2-Methylpyridine mp  
1855 C6H5NH2 aniline aniline  
1856 C6H13N 2-Methylpiperidine pip2m  
1857 C6H13N cyclohexanamine cham  
1858 C6H15N triethylamine tea  
1859 N2O5 Dinitrogen pentoxide n2o5  
1860 C4H2O3 Maleic Anhydride malan  
1861 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1862 C5H4O2 furfural furfural  
1863 C6H5O phenoxy radical phenoxy  
1864 C5H5NO 2(1H)-Pyridinone c72762006  
1865 C5H5NO 2(3H)-Pyridinone c9000048  
1866 C5H5NO 2(5H)-Pyridinone c9000037  
1867 C5H5NO 2-Pyridinol c109104  
1868 C5H5NO 3(2H)-Pyridinone c9000004  
1869 C5H5NO 3(4H)-Pyridinone c9000026  
1870 C5H5NO 3(6H)-Pyridinone c9000015  
1871 C5H5NO 3-Pyridinol c109002  
1872 C5H5NO 4(1H)-Pryidinone c9000060  
1873 C5H5NO 4(3H)-Pryidinone c9000059  
1874 C5H5NO 4-Pyridinol c626642  
1875 C6H5OH phenol phenol  
1876 C6H6O 2,4-Cyclohexadienone c24599573  
1877 C6H6O 2,5-Cyclohexadienone c5664335  
1878 C6H5SH Benzenethiol phsh  
1879 HO2CCHNH2CH2OH Serine serine  
1880 C5H8O2 Acetylacetone acac  
1881 C4H8O2S Sulfolane sulfolane  
1882 C7H10 Norbornene norbornene  
1883 CH(C2H3)3 trivinyl methane tvm  
1884 C6H10O cyclohexanone chexo  
1885 C6H12O hexanal c6h12o  
1886 C6H12O Oxepane oxepane  
1887 C3H7OC3H7 di-n-propyl ether propr  
1888 F2CCCF2 tetrafluoroallene pfa  
1889 CF3COO- trifluoro acetate anion cf3coo-  
1890 CF3COF trifluoroacetyl fluoride cf3cof  
1891 CF3COCl trifluoroacetyl chloride cf3cocl  
1892 PF6 Hexafluorophosphate neutral pf6  
1893 SeF6 Selenium hexafluoride sef6  
1894 CF3CHF2 pentafluoroethane cf3chf2  
1895 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1896 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1897 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1898 CCl3CHCl2 pentachloroethane ccl3chcl2  
1899 C6H5F Fluorobenzene bzf  
1900 C6H5Cl chlorobenzene bzcl  
1901 C6H5Br bromobenzene bzbr  
1902 C8H6 Calicene calicene  
1903 C6H5CCH phenylacetylene phac  
1904 C8H6 benzocyclobutadiene bcbd  
1905 C8H6 Pentalene pentalene  
1906 C6H5CHCH2 Styrene styrene  
1907 C8H8 cubane cubane  
1908 C8H8 cyclooctatetraene cot  
1909 C6H5CH2CH3 Ethylbenzene etbz  
1910 CH3C6H4CH3 meta-xylene mxylene  
1911 CH3C6H4CH3 paraxylene pxylene  
1912 C8H14 Bicyclo[2.2.2]octane bico222  
1913 C8H16 cyclooctane cyclooct  
1914 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1915 C8H18 Octane c8h18  
1916 C6H5CN phenyl cyanide phcn  
1917 C6H12N2 Triethylenediamine ted  
1918 C4O4-- squarate dianion c4o4--  
1919 S4N4 Tetrasulfur tetranitride s4n4  
1920 S8 Octasulfur s8  
1921 C6H4O2 parabenzoquinone pbq  
1922 C4H4N2O2 Uracil uracil  
1923 C6H5CHO benzaldehyde benzal  
1924 C6H5OCH3 Anisole anisole  
1925 C5H9NO2 Proline proline  
1926 C6H12O2 Methyl pivalate c598981  
1927 C6H12O2 Hexanoic acid hexa  
1928 C4F4 tetrafluorcyclobutadiene c4f4  
1929 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1930 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1931 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1932 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1933 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1934 C2F6 hexafluoroethane c2f6  
1935 C2Cl6 hexachloroethane c2cl6  
1936 IF7 Iodine heptafluoride if7  
1937 C6H4F2 metadifluorobenzene mdfb  
1938 C6H4F2 orthodifluorobenzene odfb  
1939 C6H4F2 1,4-difluorobenzene pdfb  
1940 C6H4Cl2 1,2-dichlorobenzene dcb12  
1941 C6H4Cl2 1,3-dichlorobenzene dcb13  
1942 C6H4Cl2 1,4-dichlorobenzene dcb14  
1943 C6H5NO nitrosobenzene bzno  
1944 C9H8 Indene indene  
1945 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1946 C9H12 n-propyl benzene prbz  
1947 C9H20 Nonane nonane  
1948 C(CN)4 tetracyanomethane c5n4  
1949 C5H4N4 purine purine  
1950 C8H7N Indole indole  
1951 C3H3N3O3 cyanuric acid cyanuric  
1952 C6H5NO2 Nitrobenzene c6h5no2  
1953 C6H5COOH benzoic acid benzo  
1954 CH3COC6H5 acetophenone acph  
1955 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1956 C3F6 hexafluoropropene c3f6  
1957 C6H3F3 Benzene trifluoride 123 bzf3a  
1958 C8H18O 1-Octanol octanol  
1959 C10H8 Azulene azu  
1960 C10H8 naphthalene naph  
1961 C10H10 bullvalene bullv  
1962 C10H16 adamantane adamantane  
1963 C6N4 Tetracyanoethylene tcne  
1964 C6N4- tetracyanoethylene anion tcne-  
1965 C10H22 Decane decane  
1966 C4F6 perfluorobutadiene c4f6  
1967 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1968 C3F8 perfluoropropane c3f8  
1969 Fe(CO)5 Iron pentacarbonyl ipc  
1970 Fe(C5H5)2 ferrocene fecp2  
1971 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1972 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1973 C12H8 Acenaphthylene acenaph  
1974 C12H8 biphenylene biph  
1975 C12H10 biphenyl biphenyl  
1976 C12H10 Heptalene heptalene  
1977 C6H12O6 Inositol inositol  
1978 C6F6 hexafluorobenzene c6f6  
1979 S2F10 disulphur decafluoride s2f10  
1980 C13H10 Fluorene fluorene  
1981 C14H10 Anthracene anth  
1982 C14H10 Phenanthrene phenanthrene  
1983 C14H14 Bibenzyl bibenzyl  
1984 C12H10N2 azobenzene azobenzene  
1985 C6H5COC6H5 benzophenone benzophenone  
1986 C16H10 Pyrene pyrene  
1987 C18H12 Tetracene tetracene  
1988 C19H16 Triphenylmethane tpm  
1989 C24H12 Coronene coronene  
1990 C60 Buckminsterfullerene c60