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

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

List of which calculations are completed at CCSD// MP2FC/6-31G* /cc-pVDZ

Jump to calculations not yet done
count Species Name State Conformation
1 D Deuterium atom 1SKh
2 H Hydrogen atom 1SKh
3 H+ Hydrogen atom cation  Kh
4 D2 Deuterium diatomic 1ΣgD∞h
5 H2 Hydrogen diatomic 1ΣgD∞h
6 He Helium atom 1SKh
7 B Boron atom 2PKh
8 Al Aluminum atom 2PKh
9 BH Boron monohydride 1ΣC∞v
10 AlH aluminum monohydride 1ΣC∞v
11 BH2 boron dihydride 2A1C2v
12 AlH2 aluminum dihydride 2A1C2v
13 BH3 boron trihydride 1A1'D3h
14 AlH3 aluminum trihydride 1A1'D3h
15 C Carbon atom 3P0Kh
16 Si Silicon atom 3PKh
17 CH Methylidyne 2Π1/2C∞v
18 SiH Silylidyne 2ΠC∞v
19 CH2 Methylene 3B1C2v
20 SiH2 silicon dihydride 1A1C2v
21 CH3 Methyl radical 2A1D3h
22 SiH3 Silyl radical 2A1C3v
23 CH4 Methane 1A1Td
24 SiH4 Silane 1A1Td
25 P Phosphorus atom 4SKh
26 NH Imidogen 3Σ-C∞v
27 PH phosphorus monohydride 3Σ-C∞v
28 ND2 Amidogen-d2 2B1C2v
29 NH2 Amino radical 2B1C2v
30 PH2 Phosphino radical 2B1C2v
31 ND3 Ammonia-d3 1A1C3v
32 NH3 Ammonia 1A1C3v
33 PH3 Phosphine 1A1C3v
34 O Oxygen atom 3SKh
35 S Sulfur atom 3PKh
36 DO Hydroxyl-d 2ΠC∞v
37 OH Hydroxyl radical 2ΠC∞v
38 DS Mercapto-d 2ΠC∞v
39 HS Mercapto radical 2ΠC∞v
40 D2O Deuterium oxide 1A1C2v
41 H2O Water 1A1C2v
42 HDO Water-d1 1A1C2v
43 D2S Hydrogen sulfide-d2 1A1C2v
44 H2S Hydrogen sulfide 1A1C2v
45 F Fluorine atom 2PKh
46 Cl Chlorine atom 2PKh
47 DF Hydrofluoric acid-d 1ΣC∞v
48 HF Hydrogen fluoride 1ΣC∞v
49 DCl Hydrochloric acid-d 1ΣC∞v
50 HCl Hydrogen chloride 1ΣC∞v
51 Ne Neon atom 1SKh
52 Ar Argon atom 1SKh
53 Al2 Aluminum diatomic 3ΣgD∞h
54 B2H6 Diborane 1AgD2h
55 C2 Carbon diatomic 1Σg+D∞h
56 C2H Ethynyl radical 2ΣC∞v
57 C2H2 Acetylene 1ΣgD∞h
58 C2H3 vinyl 2A'Cs
59 C2H4 Ethylene 1AgD2h
60 C2H5 Ethyl radical 2A'Cs
61 C2H6 Ethane 1A1gD3d
62 CH3SiH3 methyl silane 1A1C3
63 Si2H6 disilane 1EuD3d
64 CP Carbon monophosphide 2ΣC∞v
65 SiN Silicon nitride 2ΣC∞v
66 N2 Nitrogen diatomic 1ΣgD∞h
67 PN Phosphorus mononitride 1ΣC∞v
68 P2 Phosphorus diatomic 1ΣgD∞h
69 HCN Hydrogen cyanide 1ΣC∞v
70 HCP Phosphaethyne 1ΣC∞v
71 HPO Hydrogen phosphorus oxide 1A'Cs
72 CH2NH Methanimine 1A'Cs
73 CH2PH Phosphaethene 1A'Cs
74 N2H4 Hydrazine 1AC2
75 P2H4 Diphosphine 1AC2
76 CH3NH2 methyl amine 1A'Cs
77 CH3PH2 Methyl phosphine 1A'Cs
78 BO boron monoxide 2ΣC∞v
79 BS boron sulfide 2ΣC∞v
80 AlS Aluminum sulfide 2ΣC∞v
81 CO Carbon monoxide 1ΣC∞v
82 CS carbon monosulfide 1ΣC∞v
83 SiO Silicon monoxide 1ΣC∞v
84 SiS silicon monosulfide 1ΣC∞v
85 NO Nitric oxide 2ΠC∞v
86 PO Phosphorus monoxide 2ΠC∞v
87 PS phosphorus sulfide 2ΣC∞v
88 O2 Oxygen diatomic 3ΣgD∞h
89 SO Sulfur monoxide 3ΣC∞v
90 S2 Sulfur diatomic 3ΣgD∞h
91 HBO Boron hydride oxide 1ΣC∞v
92 HBS hydrogen boron sulfide 1ΣC∞v
93 HCO Formyl radical 2A'Cs
94 HNO Nitrosyl hydride 1A'Cs
95 HO2 Hydroperoxy radical 2A"Cs
96 H2CO Formaldehyde 1A1C2v
97 H2CS Thioformaldehyde 1A1C2v
98 H2O2 Hydrogen peroxide 1AC2
99 H2S2 Disulfane 1AC2
100 CH2OH Hydroxymethyl radical 2AC1
101 CH3O Methoxy radical 2A'C1
102 CH3S thiomethoxy 2A'C3v
103 NH2OH hydroxylamine 1A'Cs
104 CH3OH Methyl alcohol 1A'Cs
105 CH3SH Methanethiol 1A'Cs
106 BF Boron monofluoride 1ΣC∞v
107 AlF Aluminum monofluoride 1Σ+C∞v
108 BCl boron monochloride 1ΣC∞v
109 CF Fluoromethylidyne 2ΠC∞v
110 CCl carbon monochloride 2ΠC∞v
111 SiF silicon monofluoride 2ΠC∞v
112 SiCl Clorosilylidyne 2ΠC∞v
113 NF nitrogen fluoride 3ΣC∞v
114 PF phosphorus monofluoride 3ΣC∞v
115 PCl phosphorus chloride 3ΣC∞v
116 FO Oxygen monofluoride 2ΠC∞v
117 ClO Monochlorine monoxide 2ΠC∞v
118 SF Monosulfur monofluoride 2ΠC∞v
119 SCl sulfur monochloride 2ΠC∞v
120 F2 Fluorine diatomic 1ΣgD∞h
121 ClF Chlorine monofluoride 1Σ+C∞v
122 Cl2 Chlorine diatomic 1ΣgD∞h
123 HCF Fluoromethylene 1A'Cs
124 HOF Hypofluorous acid 1A'Cs
125 HOCl hypochlorous acid 1A'Cs
126 H2F2 Hydrogen fluoride dimer 1AgCs
127 CH3F Methyl fluoride 1A1C3v
128 CH3Cl Methyl chloride 1A1C3v
129 SiH3F monofluorosilane 1A1C3v
130 SiH3Cl chlorosilane 1A1C1
131 C3H3 Propargyl radical 2B1Cs
132 CH2CCH2 allene 1A1D2d
133 CH3CCH propyne 1A'C3v
134 C3H6 Cyclopropane 1A1'D3h
135 CH2CHCH3 Propene 1A'Cs
136 C3H8 Propane 1A1C2v
137 CH3CN Acetonitrile 1A1C3v
138 C2H5N Aziridine 1A'C1
139 CH3CH2NH2 Ethylamine 1A'Cs
140 CH3NHCH3 Dimethylamine 1A'Cs
141 BO2 Boron dioxide 2A'D∞h
142 N2O Nitrous oxide 1ΣC∞v
143 CO2 Carbon dioxide 1ΣgD∞h
144 OCS Carbonyl sulfide 1ΣC∞v
145 SiO2 silicon dioxide 1ΣgD∞h
146 CS2 Carbon disulfide 1ΣgD∞h
147 NO2 Nitrogen dioxide 2A1C2v
148 PO2 Phosphorus dioxide 2A1C2v
149 O3 Ozone 1A1Cs
150 SO2 Sulfur dioxide 1A1C2v
151 SSO Disulfur monoxide 1A'Cs
152 HNCO Isocyanic acid 1A'Cs
153 HNO2 Nitrous acid 1A'Cs
154 CH2CO Ketene 1A1C2v
155 HCOOH Formic acid 1A'Cs
156 C2H4O Ethylene oxide 1A1C2v
157 CH3CHO Acetaldehyde 1A'Cs
158 C2H4S Thiirane 1A1C2v
159 CH3CHS Thioacetaldehyde 1A'C1
160 CH3CH2OH Ethanol 1A'Cs
161 CH3OCH3 Dimethyl ether 1A1C2v
162 CH3CH2SH ethanethiol 1A'Cs
163 CH3SCH3 Dimethyl sulfide 1A1C2v
164 ClCN chlorocyanogen 1ΣC∞v
165 FNO Nitrosyl fluoride 1A'Cs
166 ClNO Nitrosyl chloride 1A'Cs
167 CF2 Difluoromethylene 1A1D∞h
168 CCl2 dichloromethylene 1A1C2v
169 SiCl2 Dichlorosilylene 1A1C2v
170 FOO Dioxygen monofluoride radical 2A"Cs
171 ClOO chloroperoxy radical 2A"Cs
172 OClO Chlorine dioxide 2B1D∞h
173 ClS2 Sulfur chloride 2A"Cs
174 NF2 Difluoroamino radical 2B1C2v
175 F2O Difluorine monoxide 1A1C2v
176 Cl2O Dichlorine monoxide 1A1C2v
177 BHF2 Difluoroborane 1A1C2v
178 BHCl2 Borane, dichloro- 1A1C2v
179 CH2F2 Methane, difluoro- 1A1C2v
180 CH2Cl2 Methylene chloride 1A1C2v
181 CH2CHF Ethene, fluoro- 1A'Cs
182 C2H3Cl Ethene, chloro- 1A'Cs
183 CH3CH2Cl Ethyl chloride 1A'Cs
184 C4H6 Cyclobutene 1A1C2v
185 C4H6 Methylenecyclopropane 1A1C2v
186 CH2CCHCH3 1,2-Butadiene 1A'C1
187 CH2CHCHCH2 1,3-Butadiene 1AgC2h
188 CH3CCCH3 2-Butyne 1A1'D3h
189 CH2C(CH3)CH3 1-Propene, 2-methyl- 1A1C2v
190 CH3CHCHCH3 2-Butene, (E)- 1AgC2h
191 CH3CHCHCH3 2-Butene, (Z)- 1A1C2v
192 C2N2 Cyanogen 1ΣgD∞h
193 P4 Phosphorus tetramer 1A1Td
194 C3H3N acrylonitrile 1A'Cs
195 C4H8 cyclobutane 1A1D2d
196 B2O2 Diboron dioxide 1ΣgD∞h
197 SO3 Sulfur trioxide 1A1'D3h
198 HNO3 Nitric acid 1A'Cs
199 C2H2O2 Ethanedial 1AgC2h
200 CH3NO2 Methane, nitro- 1A'Cs
201 CH3ONO Methyl nitrite 1A'C1
202 C3H4O Cyclopropanone 1A1C2v
203 NH2CONH2 Urea 1AC2
204 CH3COOH Acetic acid 1A'Cs
205 CH3OCHO methyl formate 1A'Cs
206 CH3CHNOH Acetaldoxime 1A'CS trans
207 CH3CH2CHO Propanal 1A'Cs
208 CH3COCH3 Acetone 1A1C2v
209 C2H6O2 1,2-Ethanediol 1AgC2h
210 CH2SHCH2SH 1,2-Ethanedithiol 1AgC2h
211 ClNO2 Nitryl chloride 1A1C2v
212 N2F2 (Z)-Difluorodiazene 1A1C2v
213 N2F2 Dinitrogen difluoride, (E)- 1AgC2h
214 CF2O Carbonic difluoride 1A1C2v
215 CCl2O Phosgene 1A1C2v
216 BF3 Borane, trifluoro- 1A'D3h
217 AlF3 Aluminum trifluoride 1A1'D3h
218 AlFCl2 Aluminum dichloride fluoride 1A1C2v
219 BCl3 Borane, trichloro- 1A1'D3h
220 AlCl3 Aluminum trichloride 1A1'D3h
221 CF3 Trifluoromethyl radical 2A1C3v
222 NF3 Nitrogen trifluoride 1A1C3v
223 PF3 Phosphorus trifluoride 1A1C3v
224 PCl3 Phosphorus trichloride 1A1C3v
225 CHF3 Methane, trifluoro- 1A1C3v
226 CHCl3 Chloroform 1A1C3v
227 SiHCl3 Trichlorosilane 1A1C3v
228 CH2CF2 Ethene, 1,1-difluoro- 1A1C2v
229 CH2CCl2 Ethene, 1,1-dichloro- 1A1C2v
230 CHClCHCl Ethene, 1,2-dichloro-, (E)- 1AgC2h
231 CHClCHCl Ethene, 1,2-dichloro-, (Z)- 1A1C2v
232 CH3COF Acetyl fluoride 1A'NULL
233 CH3COCl Acetyl Chloride 1A'Cs
234 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
235 CH2ClCH2Cl Ethane, 1,2-dichloro- 1AgC2h
236 CH3CHCl2 Ethane, 1,1-dichloro- 1A'Cs
237 C5H6 1,3-Cyclopentadiene 1A1C2v
238 C4H5N Pyrrole 1A1C2v
239 C3O2 Carbon suboxide 1ΣGD∞h
240 H2SO4 Sulfuric acid 1AC1
241 C3H3NO Isoxazole 1A'Cs
242 C4H4O Furan 1A1C2
243 C4H4S Thiophene 1A1C2v
244 CH2CHOCHCH2 Vinyl ether 1A1C2v
245 C4H6S Thiophene, 2,5-dihydro- 1A1C2v
246 FNO3 Fluorine nitrate 1A'Cs
247 ClFO3 Perchloryl fluoride 1A1Cs
248 SO2Cl2 Sulfuryl chloride 1A1C2v
249 F3NO Nitrogen trifluoride oxide 1A1C3v
250 F3PO Phosphoryl fluoride 1A1C3v
251 CF4 Carbon tetrafluoride 1A1Td
252 CF3Cl Methane, chlorotrifluoro- 1A1C3v
253 SiF4 Silicon tetrafluoride 1A1Td
254 CF2Cl2 difluorodichloromethane 1A1C2v
255 CFCl3 Trichloromonofluoromethane 1A1C3v
256 CCl4 Carbon tetrachloride 1A1Td
257 SiCl4 Silane, tetrachloro- 1A1Td
258 CHClCCl2 Trichloroethylene 1A'Cs
259 CH3CCl2CH3 Propane, 2,2-dichloro- 1A1C2v
260 C6H6 Benzene 1A1gD6h
261 C4N2 2-Butynedinitrile 1ΣgD∞h
262 C3H3N3 1,3,5-Triazine 1A1'D3h
263 C4H4N2 Pyrazine 1AgD2h
264 N2O4 Dinitrogen tetroxide 1AgD2d
265 B2F4 Diboron tetrafluoride 1AGD2h
266 B2Cl4 Diboron tetrachloride 1A1D2
267 C2F4 Tetrafluoroethylene 1AgD2h
268 C2Cl4 Tetrachloroethylene 1AgD2h
269 PF5 Phosphorus pentafluoride 1A1'D3h
270 PCl5 Phosphorus pentachloride 1A1'C4v

Species NOT done yet
count Species Name file name problem
1 D- Deuterium atom anion d-  
2 D+ Deuterium atom cation d+  
3 H- Hydrogen atom anion h-  
4 H2- hydrogen diatomic anion h2-  
5 H2+ Hydrogen cation h2+  
6 HD Deuterium hydride hd  
7 H3+ hydrogen trimer cation h3+  
8 He- Helium atom anion he-  
9 He+ Helium atom cation he+  
10 HeH Helium hydride heh  
11 HeH+ Helium hydride cation heh+  
12 He2+ helium diatomic cation he2+  
13 Li Lithium atom li  
14 Li- Lithium atom anion li-  
15 Li+ Lithium atom cation li+  
16 Na Sodium atom na  
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 lih  
26 LiH- lithium hydride anion lih-  
27 LiH+ lithium hydride cation lih+  
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 be  
35 Be- Beryllium atom anion be-  
36 Be+ Beryllium atom cation be+  
37 Mg Magnesium atom mg  
38 Mg- Magnesium atom anion mg-  
39 Mg+ Magnesium atom cation mg+  
40 Ca Calcium atom ca  
41 Ca- Calcium atom anion ca-  
42 Ca+ Calcium atom cation ca+  
43 Zn Zinc atom zn  
44 Zn- Zinc atom anion zn-  
45 Zn+ Zinc atom cation zn+  
46 BeH beryllium monohydride beh  
47 BeH- berylium monohydride anion beh-  
48 BeH+ beryllium monohydride cation beh+  
49 MgH magnesium monohydride mgh  
50 MgH- magnesium monohydride anion mgh-  
51 MgH+ magnesium monohydride cation mgh+  
52 CaH Calcium monohydride cah  
53 CaH+ Calcium monohydride cation cah+  
54 TiH Titanium monohydride tih  
55 ZnH Zinc monohydride znh  
56 ZnH+ Zinc, protonated znh+  
57 BeH2 beryllium dihydride beh2  
58 BeH2+ Beryllium dihydride cation beh2+  
59 MgH2 magnesium dihydride mgh2  
60 CaH2 Calcium Hydride cah2  
61 ZnH2 Zinc hydride znh2  
62 B- Boron atom anion b-  
63 B+ Boron atom cation b+  
64 Al- Aluminum atom anion al-  
65 Al+ Aluminum atom cation al+  
66 Sc Scandium atom sc  
67 Sc+ Scandium cation sc+  
68 Ga Gallium atom ga  
69 Ga- Gallium atom anion ga-  
70 Ga+ Gallium atom cation ga+  
71 BH- boron monohydride anion bh-  
72 BH+ boron monohydride cation bh+  
73 AlH- aluminum monohydride anion alh-  
74 AlH+ aluminum monohydride cation alh+  
75 ScH Scandium monohydride sch  
76 ScH+ Scandium monohydride cation sch+  
77 GaH Gallium monohydride gah  
78 GaH+ Gallium monohydride cation gah+  
79 BH2- boron dihydride anion bh2-  
80 BH2+ Boron dihydride cation bh2+  
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 anion ch-  
105 CH+ Methylidyne cation ch+  
106 SiH- silicon monohydride anion sih-  
107 SiH+ silicon monohydride cation sih+  
108 GeH germylidene geh  
109 GeH+ Germaniun monohyrdide cation geh+  
110 CH2- methylene anion ch2-  
111 CH2+ methylene cation ch2+  
112 SiH2- silicon dihydride anion sih2-  
113 SiH2+ silicon dihydride cation sih2+  
114 GeH2 germylene geh2  
115 GeH2- germylene anion geh2-  
116 CH3- methyl anion ch3-  
117 CH3+ methyl cation ch3+  
118 SiH3- Silyl anion sih3-  
119 SiH3+ Silyl cation sih3+  
120 GeH3 Germyl radical geh3  
121 GeH3+ germyl cation geh3+  
122 CD4 methane-d4 cd4  
123 CH2D2 methane-d2 ch2d2  
124 CH3D methane-d ch3d  
125 CH4- Methane anion ch4-  
126 CH4+ Methane cation ch4+  
127 CHD3 methane-d3 chd3  
128 SiH2D2 silane-d2 sih2d2  
129 SiH4+ Silane cation sih4+  
130 GeH4 Germane geh4  
131 SnH4 Stannane snh4  
132 SiH5+ Silane, protonated sih5+  
133 N Nitrogen atom n  
134 N- Nitrogen atom anion n-  
135 N+ Nitrogen atom cation n+  
136 P- Phosphorus atom anion p-  
137 P+ Phosphorus atom cation p+  
138 V Vanadium atom v  
139 V+ Vanadium atom cation v+  
140 As Arsenic atomic as  
141 As- Arsenic anion as-  
142 As+ Arsenic cation as+  
143 Sb Antimony atom sb  
144 NH- Imidogen anion nh-  
145 NH+ imidogen cation nh+  
146 PH- phosphorus monohydride anion ph-  
147 PH+ phosphorus monohydride cation ph+  
148 AsH Arsenic monohydride ash  
149 AsH+ Arsenic monohydride cation ash+  
150 SbH Antimony monohydride sbh  
151 NH2- amino anion nh2-  
152 NH2+ Amino cation nh2+  
153 PH2- Phosphino anion ph2-  
154 PH2+ Phosphino cation ph2+  
155 AsH2 Arsenic dihydride ash2  
156 AsH2+ Arsenic dihydride cation ash2+  
157 NH3- Ammonia anion nh3-  
158 NH3+ ammonia cation nh3+  
159 PH3+ Phosphine cation ph3+  
160 AsH3 Arsine ash3  
161 AsH3+ Arsine cation ash3+  
162 SbH3 Stibine sbh3  
163 AsH4+ Arsonium ash4+  
164 NH4 Ammonium radical nh4  
165 NH4+ ammonium cation nh4+  
166 PH4 Phosphoranyl radical ph4  
167 PH4+ phosphonium cation ph4+  
168 O- Oxygen atom anion o-  
169 O+ Oxygen atom cation o+  
170 S- Sulfur atom anion s-  
171 S+ Sulfur atom cation s+  
172 Cr Chromium atom cr  
173 Se Selenium atom se  
174 Se- Selenium atom anion se-  
175 Se+ Selenium atom cation se+  
176 Te Tellurium atom te  
177 Te+ Tellurium atom cation te+  
178 OH- hydroxide anion oh-  
179 OH+ hydoxyl cation oh+  
180 HS- mercapto anion sh-  
181 HS+ sulfur monohydride cation sh+  
182 CrH Chromium hydride crh  
183 CrH+ Chromium hydride cation crh+  
184 HSe Selenium monohydride hse  
185 HSe- selenium monohydride anion hse-  
186 HSe+ selenium monohydride cation hse+  
187 TeH Telluryl radical teh  
188 H2O- water anion h2o-  
189 H2O+ water cation h2o+  
190 H2S- Hydrogen sulfide anion h2s-  
191 H2S+ Hydrogen sulfide cation h2s+  
192 H2Se Hydrogen selenide h2se  
193 H2Se+ Hydrogen selenide cation h2se+  
194 H2Te Hydrogen Telluride h2te  
195 H3O+ hydronium cation h3o+  
196 H3S+ Sulfonium cation h3s+  
197 H3Se+ Hydrogen Selenide, protonated h3se+  
198 F- Fluorine atom anion f-  
199 F+ Fluorine atom cation f+  
200 Cl- Chlorine atom anion cl-  
201 Cl+ Chlorine atom cation cl+  
202 Mn Manganese atom mn  
203 Br Bromine atom br  
204 Br- Bromine atom anion br-  
205 Br+ Bromine atom cation br+  
206 I Iodine atom iodine  
207 I- Iodine atom anion iodine-  
208 I+ Iodine atom cation iodine+  
209 HF- hydrogen fluoride anion hf-  
210 HF+ hydrogen fluoride cation hf+  
211 HCl- hydrogen chloride anion hcl-  
212 HCl+ hydrogen chloride cation hcl+  
213 HBr hydrogen bromide hbr  
214 HBr- hydrogen bromide anion hbr-  
215 HBr+ hydrogen bromide cation hbr+  
216 HI Hydrogen iodide hi  
217 HI+ Hydrogen iodide cation hi+  
218 H2F+ dihydrogen fluoride cation h2f+  
219 H2Cl+ dihydrogen monochloride cation h2cl+  
220 H2Br+ protonated hydrogen bromide h2br+  
221 H2I+ Iodonium h2i+  
222 Ne- Neon atom anion ne-  
223 Ne+ Neon atom cation ne+  
224 Ar- Argon atom anion ar-  
225 Ar+ Argon atom cation ar+  
226 Fe Iron atom fe  
227 Kr Krypton atom kr  
228 Kr+ Krypton cation kr+  
229 Xe Xenon atom xe  
230 HeLi+ Helium Lithium cation heli+  
231 NeH neon hydrogen neh  
232 NeH+ neon hydrogen cation neh+  
233 ArH+ Argon hydride cation arh+  
234 KrH+ Protonated Krypton krh+  
235 XeH+ Xenon, protonated xeh+  
236 H2Ar H2 Ar dimer h2ar  
237 Co Cobalt atom cobalt  
238 Ni Nickel atom ni  
239 Li2 Lithium diatomic li2  
240 Li2- lithium diatomic anion li2-  
241 Li2+ lithium diatomic cation li2+  
242 NaLi lithium sodium lina  
243 NaLi- lithium sodium anion lina-  
244 NaLi+ lithium sodium cation lina+  
245 LiK Lithium Potassium lik  
246 Na2 Sodium diatomic na2  
247 Na2- sodium diatomic anion na2-  
248 Na2+ sodium diatomic cation na2+  
249 NaK Sodium Potassium nak  
250 NaK+ Sodium Potassium diatomic cation nak+  
251 K2 Potassium diatomic k2  
252 Cu2 Copper diatomic cu2  
253 LiBe Lithium Beryllium libe  
254 LiMg Lithium magnesium limg  
255 NaBe Sodium Beryllium nabe  
256 NaMg Sodium Magnesium namg  
257 Be2 Beryllium diatomic be2  
258 Be2- Beryllium diatomic anion be2-  
259 Be2+ Beryllium diatomic cation be2+  
260 BeMg Beryllium Magnesium bemg  
261 Mg2 Magnesium diatomic mg2  
262 Mg2- magnesium diatomic anion mg2-  
263 Mg2+ magnesium diatomic cation mg2+  
264 Ca2 Calcium diatomic ca2  
265 LiB Lithium boride lib  
266 LiAl Lithium Aluminum lial  
267 NaAl Sodium aluminum naal  
268 BeB Beryllium monoboride beb  
269 B2 Boron diatomic b2  
270 B2- Boron diatomic anion b2-  
271 B2+ Boron diatomic cation b2+  
272 BAl Boron Aluminum bal  
273 Al2- aluminum diatomic anion al2-  
274 Al2+ aluminum diatomic cation al2+  
275 BGa Boron Gallium bga  
276 AlGa Aluminum Gallium alga  
277 Ga2 Gallium diatomic ga2  
278 HBBH Diborane(2) hbbh  
279 LiBH4 Lithium borohydride libh4  
280 B2H4 Diborane(4) D2d b2h4  
281 HBHHBH Diborane(4) C2V hbhhbh  
282 B2H6+ Diborane cation b2h6  
283 Al2H6 dialane al2h6  
284 Ga2H6 digallane ga2h6  
285 LiC Lithium Carbide lic  
286 BeC Beryllium Carbide bec  
287 CaC Calcium monocarbide cac  
288 BC boron monocarbide bc  
289 BC- boron monocarbide anion bc-  
290 BC+ boron monocarbide cation bc+  
291 AlC Aluminum carbide alc  
292 BSi Boron silicide bsi  
293 C2- carbon diatomic anion c2-  
294 C2+ carbon diatomic cation c2+  
295 SiC silicon monocarbide sic  
296 SiC- silicon monocarbide anion sic-  
297 SiC+ silicon monocarbide cation sic+  
298 Si2 Silicon diatomic si2  
299 Si2- silcon diatomic anion si2-  
300 Si2+ silcon diatomic cation si2+  
301 GeC Germanium monocarbide gec  
302 SiGe Silicon Germanium sige  
303 Ge2 Germanium diatomic ge2  
304 C2H- Ethynyl anion c2h-  
305 C2H+ Ethynyl cation c2h+  
306 ZnCH2 Zinc methylene znch2  
307 C2H2+ acetylene cation c2h2+  
308 CCH2 vinylidene vinylidene  
309 H2CC- vinylidene anion h2cc-  
310 HCCH- acetylene anion c2h2-  
311 Si2H2 disilyne si2h2  
312 CH3Li methyl lithium ch3li  
313 CuCH3 monomethyl copper cuch3  
314 ZnCH3 Zinc monomethyl znch3  
315 CH2BH methyleneborane ch2bh  
316 C2H3- vinyl anion c2h3-  
317 C2H3+ vinyl cation c2h3+  
318 C2H4- Ethylene anion c2h4-  
319 C2H4+ Ethylene cation c2h4+  
320 CH3CH methylmethylene ch3ch  
321 CH2SiH2 silaethylene ch2sih2  
322 Si2H4 Disilene si2h4  
323 CH3BH2 methylborane ch3bh2  
324 C2H5- Ethyl anion c2h5-  
325 C2H5+ Ethyl cation c2h5+  
326 C2H6+ ethane cation c2h6+  
327 GeH3CH3 methyl germane geh3ch3  
328 C2H7+ Ethane, protonated c2h7+  
329 LiN Lithium Nitride lin  
330 LiN+ Lithium Nitride cation lin+  
331 LiP Lithium monophosphide lip  
332 BeN Beryllium mononitride ben  
333 BeN- Beryllium mononitride anion ben-  
334 BeN+ Beryllium mononitride cation ben+  
335 MgN Magnesium Nitride mgn  
336 BN- boron nitride anion bn-  
337 AlN- aluminum mononitride anion aln-  
338 AlN+ aluminum mononitride cation aln+  
339 BP Boron monophosphide bp  
340 AlP Aluminum monophosphide alp  
341 GaN Gallium mononitride gan  
342 GaP Gallium monophosphide gap  
343 GaAs Gallium arsenide gaas  
344 BN boron nitride bn  
345 BN+ boron nitride cation bn+  
346 AlN Aluminum nitride aln  
347 CN Cyano radical cn  
348 CN- cyanide anion cn-  
349 CN+ Cyano cation cn+  
350 CP- carbon monophosphide anion cp-  
351 CP+ carbon monophosphide cation cp+  
352 SiN- silicon mononitride anion sin-  
353 SiN+ silicon mononitride cation sin+  
354 SiP Silicon monophosphide sip  
355 SiP- Silicon monophosphide anion sip-  
356 SiP+ Silicon monophosphide cation sip+  
357 TiN Titanium mononitride tin  
358 N2- nitrogen diatomic anion n2-  
359 N2+ diatomic nitrogen cation n2+  
360 PN- phosphorus nitride anion pn-  
361 PN+ phosphorus nitride cation pn+  
362 P2- phosphorus diatomic anion p2-  
363 P2+ phosphorus diatomic cation p2+  
364 AsN Arsenic mononitride asn  
365 AsP Arsenic monophosphide asp  
366 SbN Antimony nitride sbn  
367 As2 Arsenic diatomic as2  
368 HNB hydrogen nitrogen boron hnb  
369 HNC hydrogen isocyanide hnc  
370 HCN- Hydrogen cyanide anion hcn-  
371 HCN+ hydrogen cyanide cation hcn+  
372 HNC+ hydrogen isocyanide cation hnc+  
373 HCP+ Phosphaethyne cation hcp+  
374 NNH Dinitrogen monohydride nnh  
375 NNH+ Dinitrogen monohydride cation nnh+  
376 HPO+ Hydrogen phosphorus oxide cation hpo+  
377 LiNH2 lithium amide linh2  
378 HBNH Boranimine hbnh  
379 CNH2 Aminomethylidyne radical cnh2  
380 CNH2+ N-protonated hydrogen isocyanide cnh2+  
381 H2CN Dihydrogen cyanide radical h2cn  
382 H2CN+ hydrocyanonium cation h2cn+  
383 HCNH methyleneazane hcnh  
384 HCNH+ N-protonated HCN hcnh+  
385 H2NN Isodiazene h2nn  
386 N2H2 (E)-diazene n2h2  
387 N2H2 (Z)-Diazene n2h2z  
388 N2H2+ trans-diazene cation n2h2+  
389 CH2NH+ Methanimine cation ch2nh+  
390 CHNH2 aminomethylene chnh2  
391 CHNH2+ Aminocarbene cation chnh2+  
392 BH2NH2 Boranamine bh2nh2  
393 CH2NH2+ methyleneamine cation ch2nh2+  
394 N2H4+ hydrazine cation n2h4+  
395 CH3NH2+ methyl amine cation ch3nh2+  
396 SiH3NH2 Silane, amino sih3nh2  
397 N2H5+ protonated hydrazine n2h5+  
398 BH3PH3 borane phosphine bh3ph3  
399 BH3NH3 borane ammonia bh3nh3  
400 CH3NH3 methyl ammonium radical ch3nh3  
401 CH3NH3+ protonated methylamine ch3nh3+  
402 CH3PH3+ methyl phosphine, protonated ch3ph3+  
403 NH3NH3 Ammonia Dimer nh3nh3  
404 N2H7+ ammonia ammonium dimer n2h7+  
405 LiO lithium oxide lio  
406 LiO- lithium oxide anion lio-  
407 LiO+ lithium oxide cation lio+  
408 LiS Lithium monosulfide lis  
409 LiS+ Lithium sulfide cation lis+  
410 NaO sodium monoxide nao  
411 NaO- sodium oxide anion nao-  
412 NaO+ sodium oxide cation nao+  
413 KO Potassium monoxide ko  
414 KO+ Potassium monoxide cation ko+  
415 NaS Sodium sulfide nas  
416 CuO Copper Monoxide cuo  
417 LiSe Lithium monoselenide lise  
418 BeO beryllium oxide beo  
419 BeO- Beryllium monoxide anion beo-  
420 BeO+ Beryllium monoxide cation beo+  
421 BeS beryllium sulfide bes  
422 MgO magnesium oxide mgo  
423 MgO- magnesium oxide anion mgo-  
424 MgO+ magnesium oxide cation mgo+  
425 CaO Calcium monoxide cao  
426 MgS magnesium sulfide mgs  
427 MgS- magnesium sulfide anion mgs-  
428 MgS+ magnesium sulfide cation mgs+  
429 CaS Calcium sulfide cas  
430 ZnO zinc monoxide zno  
431 ZnS Zinc sulfide zns  
432 BeS- Beryllium monosulfide anion bes-  
433 BeS+ Beryllium monosulfide cation bes+  
434 BO- boron monoxide anion bo-  
435 AlO Aluminum monoxide alo  
436 AlO- Aluminum monoxide anion alo-  
437 AlO+ aluminum monoxide cation alo+  
438 BS- boron monosulfide anion bs-  
439 BS+ boron monosulfide cation bs+  
440 AlS- aluminum monosulfide anion als-  
441 AlS+ aluminum monosulfide cation als+  
442 ScO Scandium monoxide sco  
443 GaO Gallium monoxide gao  
444 GaS Gallium monosulfide gas  
445 BO+ boron monoxide cation bo+  
446 CO- carbon monoxide anion co-  
447 CO+ carbon monoxide cation co+  
448 CS- carbon monosulfide anion cs-  
449 CS+ carbon monosulfide cation cs+  
450 SiO- silicon monoxide anion sio-  
451 SiO+ silicon monoxide cation sio+  
452 SiS- silicon monosulfide anion sis-  
453 SiS+ silicon monosulfide cation sis+  
454 TiO Titanium monoxide tio  
455 CSe Carbon monoselenide cse  
456 CSe- Carbon monoselenide anion cse-  
457 CSe+ Carbon monoselenide cation cse+  
458 GeO Germanium monoxide geo  
459 GeO+ Germanium monoxide cation geo+  
460 GeS Germanium monosulfide ges  
461 SiSe Silicon Monoselenide sise  
462 SiSe+ Silicon Monoselenide cation sise+  
463 GeSe Germanium monoselenide gese  
464 NO- nitric oxide anion no-  
465 NO+ nitric oxide cation no+  
466 NS Mononitrogen monosulfide ns  
467 NS- nitrogen sulfide anion ns-  
468 NS+ nitrogen sulfide cation ns+  
469 PO- phosphorus monoxide anion po-  
470 PO+ phosphorus monoxide cation po+  
471 PS- phosphorus monosulfide anion ps-  
472 PS+ phosphorus monosulfide cation ps+  
473 VO Vanadium monoxide vo  
474 AsO Arsenic monoxide aso  
475 NSe Nitrogen monoselenide nse  
476 AsS Arsenic monosulfide ass  
477 PSe Phosphorus monoselenide pse  
478 AsSe Arsenic monoselenide asse  
479 O2- oxygen diatomic anion o2-  
480 O2-- dioxygen dianion o2--  
481 O2+ diatomic oxygen cation o2+  
482 SO- sulfur monoxide anion so-  
483 SO+ sulfur monoxide cation so+  
484 S2- sulfur diatomic anion s2-  
485 S2+ sulfur diatomic cation s2+  
486 SeO Selenium monoxide seo  
487 SeO- selenium monoxide anion seo-  
488 SeO+ selenium monoxide cation seo+  
489 SeS Selenium monosulfide ses  
490 SeS- selenium monosulfide anion ses-  
491 SeS+ selenium monosulfide cation ses+  
492 TeO Tellurium monoxide teo  
493 Se2 Selenium diatomic se2  
494 Se2- selenium diatomic anion se2-  
495 Se2+ selenium diatomic cation se2+  
496 Te2 Tellurium diatomic te2  
497 LiOH lithium hydroxide lioh  
498 NaOH sodium hydroxide naoh  
499 KOH Potassium hydroxide koh  
500 BeOH beryllium monohydroxide beoh  
501 MgOH magnesium hydroxide mgoh  
502 CaOH Calcium monohydroxide caoh  
503 COH Hydroxymethylidyne coh  
504 COH+ Carbon Monoxide, protonated coh+  
505 HCO- formyl anion hco-  
506 HCO+ Formyl cation hco+  
507 HCS Thioformyl radical hcs  
508 HCS- Thioformyl anion hcs-  
509 HCS+ Thioformyl cation hcs+  
510 HNO- Nitrosyl hydride anion hno-  
511 HNO+ Nitrosyl hydride cation hno+  
512 NOH Hydroxyimidogen noh  
513 NOH+ O-protonated nitric oxide noh+  
514 HNS Sulfur imide hns  
515 HNS- Sulfur imide anion hns-  
516 HO2- Hydroperoxy anion ho2-  
517 HO2+ Hydroperoxy cation ho2+  
518 HSO+ Sulfur Monoxide, S-protonated HSO+  
519 SOH Sulfur Hydroxide soh  
520 SOH+ Sulfur Monoxide, protonated soh+  
521 HS2 Thiosulfeno radical hs2  
522 H2CO- formaldehyde anion h2co-  
523 H2CO+ formaldehyde cation h2co+  
524 HOCH hydroxycarbene hoch  
525 H2CS- thioformaldehyde anion h2cs-  
526 H2CS+ thioformaldehyde cation h2cs+  
527 H2CSe Selenoformaldehyde h2cse  
528 H2NO nitroxide h2no  
529 H2O2+ Hydrogen peroxide cation h2o2+  
530 H2OO water oxide h2oo  
531 HOSH hydrogen thioperoxide hosh  
532 H2S2+ hydrogen disulfide cation h2s2+  
533 H2Se2 hydrogen diselenide h2se2  
534 CH2OH+ hydroxymethyl cation ch2oh+  
535 CH3O- methoxy anion ch3o-  
536 CH3O+ Methoxy cation ch3o+  
537 H2CSH+ Thioformaldehyde, protonated h2csh+  
538 NH2OH+ Hydroxylamine cation nh2oh+  
539 NH3O Ammonia Oxide nh3o  
540 H2POH Phosphinous acid h2poh  
541 H3PO Phosphine oxide h3po  
542 NH2SH Thiohydroxylamine nh2sh  
543 NH3S sulfidoazane nh3s  
544 H3O2+ hydrogen peroxide, protonated h3o2+  
545 CH3OH- Methyl alcohol anion ch3oh-  
546 CH3OH+ Methyl alcohol cation ch3oh+  
547 CH3SH+ Methanethiol cation ch3sh+  
548 SiH3OH silanol sih3oh  
549 CH3SeH Methane selenol ch3seh  
550 NH2OH2+ protonated hydroxylamine nh2oh2+  
551 NH3OH+ N-protonated hydroxylamine nh3oh+  
552 H2OH2O water dimer h2oh2o  
553 CH3OH2+ Methanol, protonated ch3oh2+  
554 CH3SH2+ protonated methylsulfide ch3sh2+  
555 H2ONH3 Water Ammonia Dimer h2onh3  
556 H5O2+ Dihydroxonium ion h5o2+  
557 LiF lithium fluoride lif  
558 LiCl lithium chloride licl  
559 LiCl- lithium chloride anion licl-  
560 LiCl+ lithium chloride cation licl+  
561 NaF sodium fluoride naf  
562 NaF- sodium fluoride anion naf-  
563 NaF+ sodium fluoride cation naf+  
564 KF Potassium Fluoride kf  
565 NaCl Sodium Chloride nacl  
566 NaCl- sodium chloride anion nacl-  
567 NaCl+ sodium chloride cation nacl+  
568 KCl Potassium Chloride kcl  
569 CuF Copper monofluoride cuf  
570 LiBr Lithium Bromide libr  
571 LiBr- lithium bromide anion libr-  
572 LiBr+ lithium bromide cation libr+  
573 CuCl Copper monochloride cucl  
574 NaBr Sodium Bromide nabr  
575 NaBr- sodium bromide anion nabr-  
576 NaBr+ sodium bromide cation nabr+  
577 KBr Potassium Bromide kbr  
578 LiI Lithium Iodide lii  
579 NaI Sodium Iodide nai  
580 KI Potassium Iodide ki  
581 LiF- lithium fluoride anion lif-  
582 LiF+ lithium fluoride cation lif+  
583 BeF Beryllium monofluoride bef  
584 BeF- Beryllium monofluoride anion bef-  
585 BeF+ Beryllium monofluoride cation bef+  
586 BeCl beryllium monochloride becl  
587 MgF Magnesium monofluoride mgf  
588 MgF- magnesium fluoride anion mgf-  
589 MgF+ magnesium fluoride cation mgf+  
590 CaF Calcium monofluoride caf  
591 MgCl magnesium monochloride mgcl  
592 MgCl- magnesium monochloride anion mgcl-  
593 MgCl+ magnesium monochloride cation mgcl+  
594 CaCl calcium monochloride cacl  
595 TiCl Titanium Monochloride ticl  
596 ZnF Zinc monofluoride znf  
597 ZnF- Zinc monofluoride anion znf-  
598 ZnF+ Zinc monofluoride cation znf+  
599 ZnCl Zinc monochloride zncl  
600 CaBr Calcium monobromide cabr  
601 BeCl- beryllium monochloride anion becl-  
602 BeCl+ beryllium monochloride cation becl+  
603 BF- Boron monofluoride anion bf-  
604 BF+ Boron monofluoride cation bf+  
605 AlF- Aluminum monofluoride anion alf-  
606 AlF+ Aluminum monofluoride cation alf+  
607 BCl- boron monochloride anion bcl-  
608 BCl+ boron monochloride cation bcl+  
609 AlCl Aluminum monochloride alcl  
610 AlCl- aluminum monochloride anion alcl-  
611 AlCl+ aluminum monochloride cation alcl+  
612 ScF Scandium monofluoride scf  
613 BBr Boron monobromide bbr  
614 GaF Gallium monofluoride gaf  
615 GaF+ Gallium monofluoride cation gaf+  
616 AlBr Aluminum monobromide albr  
617 GaCl Gallium monochloride gacl  
618 GaCl+ Gallium monochloride cation gacl+  
619 AlI Aluminum monoiodide ali  
620 GaBr Gallium monobromide gabr  
621 CF- carbon monofluoride anion cf-  
622 CF+ carbon monofluoride cation cf+  
623 CCl- carbon monochloride anion ccl-  
624 CCl+ carbon monochloride cation ccl+  
625 SiF- silicon monofluoride anion sif-  
626 SiF+ silicon monofluoride cation sif+  
627 SiCl- silicon monochloride anion sicl-  
628 SiCl+ silicon monochloride cation sicl+  
629 CBr Carbon monobromide cbr  
630 GeF Germanium monofluoride gef  
631 GeF+ Germanium monofluoride cation gef+  
632 GeCl Germanium monochloride gecl  
633 GeCl+ Germanium monochloride cation gecl+  
634 SiBr Silicon monobromide sibr  
635 SiBr+ Silicon monobromide cation sibr+  
636 NF- nitrogen monofluorine anion nf-  
637 NF+ nitrogen monofluoirde cation nf+  
638 NCl nitrogen monochloride ncl  
639 NCl- nitrogen monochloride anion ncl-  
640 NCl+ nitrogen monochloride cation ncl+  
641 PF- phosphorus monofluoride anion pf-  
642 PF+ phosphorus monofluoride cation pf+  
643 PCl- phosphorus monochloride anion pcl-  
644 PCl+ phosphorus monochloride cation pcl+  
645 AsF Arsenic monofluoride asf  
646 NBr nitrogen monobromide nbr  
647 AsCl Arsenic monochloride ascl  
648 PBr Phosphorus monobromide pbr  
649 SbF Antimony monofluoride sbf  
650 SbCl Antimony monochloride sbcl  
651 FO- flourine oxide anion fo-  
652 FO+ fluorine monoxide cation fo+  
653 ClO- chlorine monoxide anion clo-  
654 ClO+ chlorine monoxide cation clo+  
655 SF- sulfur monofluoride anion sf-  
656 SF+ sulfur monofluoride cation sf+  
657 SCl- sulfur monochloride anion scl-  
658 SCl+ sulfur monochloride cation scl+  
659 BrO Bromine monoxide bro  
660 BrO- Bromine monoxide anion bro-  
661 BrO+ Bromine monoxide cation bro+  
662 SeF Selenium monofluoride sef  
663 SBr Sulfur monobromide radical sbr  
664 SBr+ Sulfur monobromide cation sbr+  
665 SeCl Selenium monochloride secl  
666 IO Iodine monoxide io  
667 SeBr Selenium monobromide sebr  
668 BrCl Bromine monochloride brcl  
669 F2- flourine diatomic anion f2-  
670 F2+ flourine diatomic cation f2+  
671 ClF- clorine monofluoride anion clf-  
672 ClF+ clorine monofluoride cation clf+  
673 Cl2- chlorine diatomic anion cl2-  
674 Cl2+ chlorine diatomic cation cl2+  
675 BrF Bromine monofluoride brf  
676 BrF- bromine fluoride anion brf-  
677 BrF+ bromine fluoride cation brf+  
678 BrCl- bromine chloride anion brcl-  
679 BrCl+ bromine chloride cation brcl+  
680 IF Iodine monofluoride if  
681 Br2 Bromine diatomic br2  
682 Br2- bromine diatomic anion br2-  
683 Br2+ bromine diatomic cation br2+  
684 ICl Iodine monochloride icl  
685 IBr Iodine monobromide ibr  
686 I2 Iodine diatomic i2  
687 I2+ Iodine diatomic cation i2+  
688 HCCl Chloromethylene hccl  
689 HSiF fluorosilylene hsif  
690 HSiCl Chlorosilylene hsicl  
691 HSiBr monobromosilylene hsibr  
692 CHBr bromomethylene chbr  
693 DOCl Hypochlorous acid-d docl  
694 HOCl+ hypochlorous acid cation hocl+  
695 HOBr Hypobromous acid hobr  
696 HOBr+ Hypobromous acid cation hobr+  
697 HOI Hypoiodous acid hoi  
698 F2H+ Fluorine, protonated f2h+  
699 FHF Hydrogen difluoride fhf  
700 FHF- Hydrogen difluoride anion fhf-  
701 ClFH+ Chlorine fluoride, F-protonated clfh+  
702 FClH+ Chlorine fluoride, Cl-protonated fclh+  
703 Cl2H+ Chlorine, protonated cl2h+  
704 CH2Br bromomethyl radical ch2br  
705 CH2F fluoromethyl radical ch2f  
706 CH2F+ fluoromethyl cation ch2f+  
707 CH2Cl+ chloromethyl cation ch2cl+  
708 CH2Cl chloromethyl radical ch2cl  
709 NH2F monofluoroamine nh2f  
710 NH2Cl chloramine nh2cl  
711 CH3F+ methyl fluoride cation ch3f+  
712 CD3F methylfluoride-d3 cd3f  
713 CD3Cl methyl chloride d3 cd3cl  
714 CH3Cl+ Methyl chloride cation ch3cl+  
715 CH3Br methyl bromide ch3br  
716 GeH3F monofluorogermane geh3f  
717 GeH3Cl monochlorogermane geh3cl  
718 SiH3Br bromosilane sih3br  
719 CH3I methyl iodide ch3i  
720 SiH3I Silyl Iodide sih3i  
721 NH3Cl+ protonated monochloroammonia nh3cl+  
722 CH3ClH+ methyl chloride, protonated ch3clh+  
723 NH4Cl Ammonium chloride nh4cl  
724 LiNe+ Lithium Neon cation line+  
725 Ne2 Neon diatomic ne2  
726 Ne2+ Neon diatomic cation ne2+  
727 Ar2 Argon diatomic ar2  
728 Ar2+ Argon diatomic cation ar2+  
729 Li3 Lithium trimer li3  
730 Li3+ Lithium trimer cation li3+  
731 C3 carbon trimer c3  
732 C3+ carbon trimer cation c3+  
733 SiC2 Silicon dicarbide sic2  
734 C3H3 cyclopropenyl radical cpr  
735 C3H3- Propargyl anion c3h3-  
736 C3H3+ cyclopropenyl cation cpr+  
737 C3H3+ Propargyl cation c3h3+  
738 C3H4 cyclopropene cprop  
739 C3H5 Allyl radical allyl  
740 C3H5+ Allyl cation allyl+  
741 CH3CHCH 1-propenyl radical ch3chch  
742 Zn(CH3)2 dimethyl zinc dmz  
743 C3H7 n-Propyl radical npropyl  
744 C3H7+ cyclopropane, protonated c3h7+  
745 CH3CHCH3 Isopropyl radical isopropyl  
746 CH3CHCH3+ Isopropyl cation prop2yl+  
747 SiH2(CH3)2 dimethylsilane dms  
748 Si3H8 trisilane si3h8  
749 LiCN lithium cyanide licn  
750 NaCN Sodium Cyanide nacn  
751 KCN Potassium cyanide kcn  
752 CuCN Copper cyanide cucn  
753 ZnCN Zinc monocyanide zncn  
754 ZnNC Zinc isocyanide znnc  
755 AlCN Aluminum monocyanide alcn  
756 AlNC Aluminum isocyanide alnc  
757 CN2 3H-Diazirin-3-ylidene cn2  
758 CNN Diazocarbene cnn  
759 NCN Cyanoimidogen ncn  
760 N3 azide radical n3  
761 N3- azide anion n3-  
762 N3+ azide cation n3+  
763 HCCN cyanomethylene hccn  
764 HCNN diazomethyl radical hcnn  
765 HN3 hydrogen azide hn3  
766 HN3+ Hydrazoic acid cation hn3+  
767 HNCNH diiminomethane hncnh  
768 CH2N2 diazirine ch2n2  
769 CH2NN diazomethane ch2nn  
770 NH2CN cyanamide cyanamide  
771 HNNNH+ 1,2-Triazadienium n2h3+  
772 NH2NN+ hydrazoic acid, protonated nh2nn+  
773 CH3CN- acetonitrile anion ch3cn-  
774 CH3CN+ Acetonitrile cation ch3cn+  
775 CH3NC methyl isocyanide ch3nc  
776 CHNCH2 2H-Azirine c157164  
777 CHNHCH 1H-Azirine chnhch  
778 H2CCNH Ethenimine ch2cnh  
779 H2CNCH methyleneaminomethylene ch2nch  
780 HCCNH2 Ethynamine hccnh2  
781 HCNCH2+ 2H-Azirine cation hcnch2+  
782 HNCNH2+ diiminomethane, protonated hncnh2+  
783 NCNH3+ Cyanamide, protonated ncnh3+  
784 NH2CNH+ cyanamide, cn protonated nh2cnh+  
785 NH3CN+ cyanamide, amine protonated nh3cn+  
786 CH2CHNH vinylazine ch2chnh  
787 CH3CHN methylmethaniminyl radical ch3chn  
788 NHCHNH2 aminomethanimine cn2h4  
789 CH2CHNH2 aminoethene aminoethene  
790 CH2NCH3 N-methylmethanimine nmm  
791 CH3CHNH ethanimine ethanimine  
792 NH2BHNH2 diaminoborane nh2bhnh2  
793 C2H5NH+ Protonated Aziridine c2h5nh+  
794 C2H6N+ aziridine, protonated c2h6n+  
795 NH2CH2NH2 diaminomethane nh2ch2nh2  
796 CH3PHCH3 dimethylphosphine ch3phch3  
797 NH2CH2NH3+ diaminoethane, protonated pdam  
798 (CH3)2NH2+ dimethylammonium cation dmam  
799 CH3CH2NH3+ ethylamine, protonated pea  
800 Li2O dilithium oxide li2o  
801 Li2O+ dilithium oxide cation li2o+  
802 Li2S dilithium sulfide li2s  
803 Na2O disodium monoxide na2o  
804 Na2S Sodium sulfide na2s  
805 LiO2 Lithium dioxide lio2  
806 NaO2 Sodium superoxide nao2  
807 CCO Dicarbon monoxide cco  
808 CNO- fulminate cno-  
809 NCO isocyanato radical nco  
810 NCO- cyanate nco-  
811 SCN thiocyanato radical scn  
812 SCN- thiocyanide anion scn-  
813 BO2- Boron dioxide anion bo2-  
814 BO2+ Boron dioxide cation bo2+  
815 N2O- Nitrous oxide anion n2o-  
816 N2O+ Nitrous oxide cation n2o+  
817 NNS Nitrogen sulfide nns  
818 PPO Phosphorus oxide phosphide ppo  
819 CO2- Carbon dioxide anion co2-  
820 CO2+ Carbon dioxide cation co2+  
821 OCS+ Carbonyl sulfide cation cos+  
822 CS2- Carbon disulfide anion cs2-  
823 CS2+ Carbon disulfide cation cs2+  
824 TiO2 Titanium dioxide tio2  
825 SiS2 Silicon disulfide sis2  
826 GeO2 Germanium dioxide geo2  
827 OCSe Carbonyl selenide ocse  
828 SCSe Carbon sulfide selenide scse  
829 GeS2 Germanium disulfide ges2  
830 CSe2 Carbon diselenide cse2  
831 SCTe Carbon sulfide Telluride scte  
832 NO2- Nitrogen dioxide anion no2-  
833 NO2+ Nitrogen dioxide cation no2+  
834 NSO sulfinyl amidogen NSO  
835 PO2- Phosphorus dioxide anion po2-  
836 PO2+ Phosphorus dioxide cation po2+  
837 SNO Nitrogen oxide sulfide sno  
838 AsO2 Aresenic dioxide aso2  
839 O3- Ozone anion o3-  
840 O3+ Ozone cation o3+  
841 SO2- Sulfur dioxide anion so2-  
842 SO2+ Sulfur dioxide cation so2+  
843 S3 Sulfur trimer s3  
844 S3- Sulfur trimer anion s3-  
845 S3+ Sulfur trimer cation s3+  
846 SeO2 Selenium dioxide seo2  
847 SeO2+ Selenium dioxide cation seo2+  
848 TeO2 Tellurium Dioxide teo2  
849 HCCO ketenyl radical ketenyl  
850 CS2H+ Carbon disulfide, protonated cs2h+  
851 HCNO fulminic acid hcno  
852 HOCN cyanic acid hocn  
853 HNCS Isothiocyanic acid hncs  
854 HSCN thiocyanic acid hscn  
855 HCO2- formate anion hco2-  
856 HNNO nitrosoazane hnno  
857 HNNO+ Nitrous oxide, N-protonated hnno+  
858 NNOH+ Nitrous Oxide, O-protonated nnoh+  
859 HCOO formate neutral radical hcoo  
860 HOCO Hydrocarboxyl radical hoco  
861 HOCO+ Hydrocarboxyl cation hoco+  
862 HNO2+ nitrous acid cation hno2+  
863 O3H+ protonated ozone o3h+  
864 SO2H+ protonated sulfur dioxide so2h+  
865 C2H2O Oxirene oxirene  
866 CH2CO+ Ketene cation ch2co+  
867 HCCOH ethynol hccoh  
868 CH2CS Thioketene ch2cs  
869 Be(OH)2 Beryllium hydroxide beo2h2  
870 Mg(OH)2 Magnesium dihydroxide h2mgo2  
871 NH2NO Nitrosamide nh2no  
872 CH2O2 Dioxirane diox  
873 H2COO Dioxymethyl radical h2coo  
874 H2COO+ dioxymethyl cation h2coo+  
875 H2O3 Hydrogen trioxide h2o3  
876 HSSSH trisulfane hsssh  
877 NaOCH3 Sodium methoxide naoch3  
878 CH2BOH hydroxy(methylene)borane ch2boh  
879 BH3CO Borane carbonyl bh3co  
880 CH3BO Borane, methyloxo- ch3bo  
881 CH2CHO Vinyloxy radical ch2cho  
882 CH2COH+ ketene, protonated ch2coh+  
883 CH3CO Acetyl radical ch3co  
884 CH3CO- Acetyl anion ch3co-  
885 CH3CO+ acetyl cation ch3co+  
886 CH2NOH formaldoxime ch2noh  
887 CH3NO nitrosomethane ch3no  
888 CHONH2 formamide formamide  
889 CNOH3 1,2-oxaziridine cnoh3  
890 HOCHNH hydroxymethylimine hochnh  
891 CHSNH2 thioformamide chsnh2  
892 NHCHSH Methanimidothioic acid nhchsh  
893 CH2OOH CH2OOH radical ch2ooh  
894 CH3OO methylperoxy radical ch3oo  
895 CH3OO- methylperoxy anion ch3oo-  
896 CH3OO+ methylperoxy cation ch3oo+  
897 C2H4O+ ethylene oxide cation c2h4o+  
898 CH2CHOH ethenol ch2choh  
899 CH3CHO+ acetaldehyde cation ch3cho+  
900 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
901 CH2CHSH Ethenethiol ch2chsh  
902 H2CONH2+ protonated formamide h2conh2+  
903 NH2CHOH+ Formamide, O-protonated nh2choh+  
904 NH3CHO+ Formamide, N-Protonated nh3cho+  
905 CH2(OH)2 methanediol ch2o2h2  
906 CH3OOH Methyl peroxide ch3ooh  
907 CH3SSH Hydrogen methyl disulfide ch3ssh  
908 HSCH2SH Methanedithiol ch4s2  
909 H2OH2CO water formaldehyde dimer h2oh2co  
910 C2H4OH+ ethylene oxide, protonated c2h4oh+  
911 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
912 CH3CH2O Ethoxy radical ethoxy  
913 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
914 CH3CHOH+ acetaldehyde, protonated ch3choh+  
915 CH3OCH2 methoxymethyl radical ch3och2  
916 NH2CH2OH aminomethanol nh2ch2oh  
917 CH3SCH3+ dimethyl sulfide cation mesme+  
918 CH3SeCH3 dimethylselenide dmse  
919 CH3OHH2O methanol water dimer ch3ohh2o  
920 H2OCH3OH water methanol dimer h2och3oh  
921 CuF2 Copper difluoride cuf2  
922 ZnF2 Zinc difluoride znf2  
923 CNF iso cyanogen fluoride cnf  
924 FCN Cyanogen fluoride fcn  
925 BrCN Cyanogen bromide brcn  
926 ICN Cyanogen iodide icn  
927 FBO Boron monofluoride monoxide fbo  
928 BeF2 Beryllium fluoride bef2  
929 MgF2 Magnesium fluoride mgf2  
930 BeCl2 Beryllium chloride becl2  
931 MgCl2 Magnesium dichloride mgcl2  
932 CaCl2 Calcium Chloride cacl2  
933 ZnCl2 Zinc dichloride zncl2  
934 BeBr2 Beryllium bromide bebr2  
935 CaBr2 Calcium dibromide cabr2  
936 CaF2 Calcium difluoride caf2  
937 FCO Carbonyl fluoride fco  
938 FCO+ Carbonyl fluoride cation fco+  
939 ClCO carbonyl monochloride clco  
940 BF2 Boron difluoride radical bf2  
941 FNS Thionitrosyl fluoride fns  
942 FSN Thiazyl fluoride fsn  
943 OPCl Phosphorus oxychloride opcl  
944 BrNO Nitrosyl bromide brno  
945 INO Nitrosyl iodide ino  
946 CF2- Difluoromethylene anion cf2-  
947 CF2+ Difluoromethylene cation cf2+  
948 CFCl chlorofluoromethylene cfcl  
949 SiF2 Silicon difluoride sif2  
950 SiF2+ Silicon difluoride cation sif2+  
951 CCl2- dichloromethylene anion ccl2-  
952 CCl2+ dichloromethylene cation ccl2+  
953 GeF2 Germanium difluoride gef2  
954 GeCl2 Germanium dichloride gecl2  
955 CBr2 dibromomethylene cbr2  
956 FOO+ Fluorine dioxide cation foo+  
957 ClOO+ chloroperoxy cation cloo+  
958 OClO- Chlorine dioxide anion oclo-  
959 OClO+ Chlorine dioxide cation oclo+  
960 ClSO Sulfur chloride oxide clso  
961 BrOO Bromine dioxide broo  
962 OBrO Bromine dioxide radical obro  
963 NF2+ Difluoroamino cation nf2+  
964 PF2 Phosphorus difluoride pf2  
965 PF2+ Phosphorus difluoride cation pf2+  
966 FClO chlorosyl fluoride fclo  
967 ClOF Chlorine hypofluorite clof  
968 SF2 sulfur difluoride sf2  
969 SF2- sulfur difluoride anion sf2-  
970 SF2+ sulfur difluoride cation sf2+  
971 SCl2 Sulfur dichloride scl2  
972 SeF2 Selenium difluoride sef2  
973 BrOCl Bromine hypochlorite brocl  
974 SeCl2 Selenium Dichloride secl2  
975 SBr2 Sulfur dibromide sbr2  
976 SeBr2 Selenium dibromide sebr2  
977 BrOBr Bromine oxide brobr  
978 F3- trifluoride anion f3-  
979 Cl3- trichloride anion cl3-  
980 Br3- tribromide anion br3-  
981 I3- triiodide i3-  
982 SFCl Sulfur chloride fluoride sfcl  
983 HCCF Fluoroacetylene hccf  
984 HCCF+ fluoroacetylene cation hccf+  
985 HCCCl Chloroacetylene hcccl  
986 HCCBr bromoacetylene hccbr  
987 HFCO formyl fluoride hfco  
988 HFCO+ formyl fluoride cation hfco+  
989 COHCl Formyl chloride cohcl  
990 COHBr Formyl bromide cohbr  
991 CHCl2 dichloromethyl radical chcl2  
992 CHF2 difluoromethyl radical chf2  
993 CHF2+ difluoromethyl cation chf2+  
994 CHFCl Chlorofluoromethyl radical chfcl  
995 CHFCl+ Chlorofluoromethyl cation chfcl+  
996 CHCl2+ dichloromethyl cation chcl2+  
997 CHBr2 dibromomethyl radical chbr2  
998 HOClO Chlorous acid hoclo  
999 NHF2 difluoramine nhf2  
1000 NHCl2 dichloroamine nhcl2  
1001 CH2FCl fluorochloromethane ch2fcl  
1002 SiH2F2 difluorosilane sih2f2  
1003 CH2BrF Methane, bromofluoro- ch2fbr  
1004 CH2BrCl Methane, bromochloro- ch2clbr  
1005 CH2FI fluoroiodomethane ch2fi  
1006 CH2Br2 dibromomethane ch2br2  
1007 CH2ClI chloroiodomethane ch2cli  
1008 CH2BrI bromoiodomethane ch2bri  
1009 CH2I2 Diiodomethane ch2i2  
1010 SiH2Cl2 dichlorosilane sih2cl2  
1011 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1012 CH2CHF+ fluoroethene cation ch2chf+  
1013 C2H3Br vinyl bromide c2h3br  
1014 C2H3I Vinyl iodide c2h3i  
1015 CH2FOH fluoromethanol ch2foh  
1016 CH3OCl methyl hypochlorite ch3ocl  
1017 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1018 CHClCH3 1-chloroethyl radical chclch3  
1019 C2H5F fluoroethane c2h5f  
1020 CH3SiFH2 fluoromethylsilane ch3sifh2  
1021 C2H5Br Ethyl bromide etbr  
1022 C2H5I Ethyl iodide c2h5i  
1023 KrF2 Krypton difluoride krf2  
1024 XeF2 Xenon difluoride xef2  
1025 B4H10 Tetraborane(10) b4h10  
1026 C4 Carbon tetramer c4  
1027 C4+ Carbon tetramer cation c4+  
1028 C4H2 Diacetylene c4h2  
1029 C4H2+ diacetlyene cation c4h2+  
1030 C2H3CCH 1-Buten-3-yne c2h3cch  
1031 C4H4 cyclobutadiene cbd  
1032 C4H4 Tetrahedrane c4h4  
1033 H2CCCCH2 Butatriene h2cccch2  
1034 C4H6 1-Methylcyclopropene c3100047  
1035 CHCCH2CH3 1-Butyne c107006  
1036 CH3CHCHCH2 methylallyl radical c4h7  
1037 C4H8 methylcyclopropane mcp  
1038 CH2CHCH2CH3 1-Butene bute1  
1039 B(CH3)3 trimethylborane bme3  
1040 Al(CH3)3 trimethyl aluminum tma  
1041 C(CH3)3 Tert-butyl radical tbutyl  
1042 CH2CH(CH3)2 Isobutyl radical isobutyl  
1043 CH3CHCH2CH3 2-Butyl radical butyl2  
1044 CH3CH(CH3)CH3 Isobutane isobutane  
1045 CH3CH2CH2CH3 Butane butane  
1046 SiH(CH3)3 trimethylsilane trimsi  
1047 Li3N trilithium nitride li3n  
1048 C2N2+ Cyanogen cation c2n2+  
1049 As4 Arsenic tetramer as4  
1050 HCCCN Cyanoacetylene hcccn  
1051 HCCCN+ Cyanoacetylene cation hcccn+  
1052 H2CNCN cyanamide, methylene ch2ncn  
1053 HNCCNH Ethenediimine hnccnh  
1054 C3H3N+ acrylonitrile cation ch2chcn+  
1055 CH3N3 methyl azide ch3n3  
1056 NH2CCNH2 Diaminoacetylene daa  
1057 NH2CH2CN Aminoacetonitrile aan  
1058 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1059 C2H5CN ethyl cyanide c2h5cn  
1060 CH5N3 Guanidine guanidine  
1061 C4H6 Bicyclo[1.1.0]butane c157335  
1062 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1063 H2NCHCHNH2 diaminoethylene dae  
1064 CH6N3+ guanidinium ch6n3+  
1065 C3H7N Cyclopropylamine cpram  
1066 CH7N3 triaminomethane tam  
1067 C3H7N Azetidine azet  
1068 C2H8N2 Ethylenediamine ethdiam  
1069 CH3NHNHCH3 dimethyl hydrazine dmh  
1070 CH3CH(NH2)CH3 2-Propanamine pram2  
1071 N(CH3)3 Trimethylamine trimeam  
1072 NH2CH2CH2CH3 1-Propanamine pram1  
1073 P(CH3)3 trimethylphosphine tmp  
1074 N(SiH3)3 trisilylamine tsa  
1075 As(CH3)3 trimethyl arsine tmas  
1076 (CH3)3NH+ protonated trimethyl amine ptma  
1077 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1078 Li2O2 dilithium dioxide li2o2  
1079 Na2O2 disodium dioxide na2o2  
1080 K2O2 dipotassium dioxide k2o2  
1081 C3O Tricarbon monoxide c3o  
1082 ONNO NO dimer onno  
1083 S2N2 Disulfur dinitride s2n2  
1084 CO3 Carbon trioxide co3  
1085 CO3-- carbonate co3--  
1086 CS3-- Carbonotrithioate cs3--  
1087 NO3 Nitrogen trioxide no3  
1088 NO3- nitrate anion no3-  
1089 NO3+ nitrogen trioxide cation no3+  
1090 SO3- Sulfur trioxide anion so3-  
1091 SO3-- Sulfate dianion so3--  
1092 SO3+ Sulfur trioxide cation so3+  
1093 SeO3 selenium trioxide seo3  
1094 S4 Sulfur tetramer s4  
1095 TeO3 Tellurium trioxide teo3  
1096 HCO3- bicarbonate anion hco3-  
1097 HSO3 Hydroxysulfonyl radical hso3  
1098 NH2NO2 nitramide nh2no2  
1099 C2H2CO cyclopropenone c2h2co  
1100 C3H2O Propadienal c3h2o  
1101 HCCCHO 2-propynal hcccho  
1102 C2H2O2+ Ethanedial cation c2h2o2+  
1103 H2CO3 Carbonic acid h2co3  
1104 H2CS3 thiocarbonic acid h2cs3  
1105 H2NO3+ Nitric Acid, Protonated h2no3+  
1106 H2SO3 Sulfurous acid h2so3  
1107 C2H3NO Nitrosoethylene c2h3no  
1108 CH3NCO methylisocyante ch3nco  
1109 HOCH2CN cyanomethanol hoch2cn  
1110 CH3COO- acetate anion ch3coo-  
1111 NH2COOH Carbamic acid nh2cooh  
1112 H3BO3 Boric acid h3bo3  
1113 H3AlO3 Aluminum hydroxide h3alo3  
1114 H3CO3+ carbonic acid, protonated h3co3+  
1115 C3H4O 2-Propyn-1-ol c107197  
1116 C3H4O allenol c9000071  
1117 C3H4O Methylketene c6004440  
1118 CH2CHCHO Acrolein c3h4o  
1119 NH2CONH2+ Urea cation urea+  
1120 NH2CSNH2 Thiourea thiourea  
1121 C2H4O2 1,3-dioxetane c2h4o2  
1122 CHOCH2OH hydroxy acetaldehyde haa  
1123 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1124 NH3COOH+ protonated Carbamic acid nh3cooh+  
1125 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1126 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1127 HCOOHH2O Formic acid water dimer hcoohh2o  
1128 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1129 CH3COCH2 Acetonyl radical ch3coch2  
1130 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1131 CH3C(OH)=NH Ethaninidic acid eia  
1132 CH3CONH2 Acetamide acetamide  
1133 HCONHCH3 N-methylformamide nmfa  
1134 CH3CSNH2 Ethanethioamide ch3csnh2  
1135 CH5N2O+ urea, N-protonated ch4n2o+  
1136 H2NCOHNH2+ urea, protonated ureah+  
1137 C2H5OO ethylperoxy radical c2h5oo  
1138 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1139 C3H5OH Cyclopropanol cproh  
1140 C3H6O 2-Propen-1-ol c107186  
1141 C3H6O Acetone enol enol  
1142 C3H6O Oxetane oxetane  
1143 C3H6O Propylene oxide prox  
1144 CH3COCH3- acetone anion ch3coch3-  
1145 C3H6S Thietane thietane  
1146 C3H6S Thiirane, methyl- methiirane  
1147 CH3CSCH3 Thioacetone ch3csch3  
1148 CH3OOCH3 dimethylperoxide dmp  
1149 CH3SOCH3 Dimethyl sulfoxide dmso  
1150 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1151 CH3COHCH3+ acetone, protonated acetoneh+  
1152 HOCH2CH2NH2 monoethanolamine mea  
1153 C3H7OH 1-Propanol proh  
1154 CH3CHOHCH3 Isopropyl alcohol isoproh  
1155 CH3OC2H5 Ethane, methoxy- etome  
1156 C3H7SH 1-Propanethiol prsh  
1157 CH3CHSHCH3 2-Propanethiol isoprsh  
1158 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1159 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1160 Li2F2 Lithium fluoride dimer li2f2  
1161 Na2F2 Sodium Fluoride Dimer na2f2  
1162 Na2Cl2 Disodium dichloride na2cl2  
1163 C2F2 difluoroacetylene c2f2  
1164 C2Cl2 dichloroacetylene c2cl2  
1165 C2Cl2+ dichloroacetylene cation c2cl2+  
1166 FNO2 Nitryl fluoride fno2  
1167 FONO Nitrosyl hypofluorite fono  
1168 ClONO chlorine nitrite clono  
1169 BrONO Bromine nitrite brono  
1170 CF2O+ Carbonic difluoride cation f2co+  
1171 COFCl Carbonic chloride fluoride cofcl  
1172 Cl2CS Thiophosgene cl2cs  
1173 COBr2 Carbonic dibromide cobr2  
1174 BF3- Borane, trifluoro- anion bf3-  
1175 BF3+ boron trifluoride cation bf3+  
1176 BClF2 Chlorodifluoroborane bclf2  
1177 AlF2Cl Aluminum chloride difluoride alclf2  
1178 ScF3 Scandium trifluoride ScF3  
1179 BCl3+ Boron Trichloride cation bcl3+  
1180 GaF3 Gallium trifluoride gaf3  
1181 GaCl3 Gallium trichloride gacl3  
1182 BBr3 Boron tribromide bbr3  
1183 AlBr3 Aluminum Bromide albr3  
1184 ClO3 Chlorine trioxide clo3  
1185 ClO3- chlorate anion clo3-  
1186 BrO3- Bromate anion bro3-  
1187 CF3- Trifluoromethyl anion cf3-  
1188 CF3+ Trifluoromethyl cation cf3+  
1189 CF2Cl difluorochloromethyl radical cf2cl  
1190 SiF3 Silicon trifluoride radical sif3  
1191 SiF3+ Silicon trifluoride cation sif3+  
1192 CFCl2 dichlorofluoromethyl radical cfcl2  
1193 CCl3 Trichloromethyl radical ccl3  
1194 CCl3- Trichloromethyl anion ccl3-  
1195 CCl3+ Trichloromethyl cation ccl3+  
1196 SiCl3 trichlorosilyl radical sicl3  
1197 SiCl3+ trichlorosilyl cation sicl3+  
1198 CBr3 tribromomethyl radical cbr3  
1199 FOOF Perfluoroperoxide foof  
1200 ClO2F Chloryl fluoride clo2f  
1201 F2SO Thionyl Fluoride f2so  
1202 ClOOCl Dichlorine dioxide cloocl  
1203 FSSF Difluorodisulfane fssf  
1204 S2F2 Thio-thionyl fluoride s2f2  
1205 SOCl2 thionyl chloride socl2  
1206 SSCl2 Thiothionyl chloride sscl2  
1207 SeOCl2 selenium oxychloride seocl2  
1208 NF3- Nitrogen trifluoride anion nf3-  
1209 NF3+ Nitrogen trifluoride cation nf3+  
1210 NCl3 nitrogen trichloride ncl3  
1211 AsF3 Arsenic trifluoride asf3  
1212 SbF3 Antimony Trifluoride sbf3  
1213 AsCl3 Arsenous trichloride ascl3  
1214 SbCl3 Antimony Trichloride sbcl3  
1215 NBr3 Nitrogen Tribromide nbr3  
1216 PBr3 Phosphorus tribromide pbr3  
1217 AsBr3 Arsenic tribromide asbr3  
1218 NI3 Nitrogen triiodide ni3  
1219 PI3 Phosphorus triiodide pi3  
1220 ClSSCl Disulfur dichloride s2cl2  
1221 SF3 Sulfur trifluoride sf3  
1222 ClF3 Chlorine trifluoride clf3  
1223 BrF3 Bromine trifluoride brf3  
1224 IF3 iodone trifluoride if3  
1225 HClO3 Chloric Acid hclo3  
1226 CHF2Cl difluorochloromethane chf2cl  
1227 SiHF3 trifluorosilane sihf3  
1228 CHFCl2 fluorodichloromethane chfcl2  
1229 CDCl3 trichloromethane-d cdcl3  
1230 CHBrF2 Methane, bromodifluoro- chbrf2  
1231 CHFClBr fluorochlorobromomethane chfclbr  
1232 CHBrCl2 Methane, bromodichloro- chbrcl2  
1233 CHF2I difluoroiodomethane chf2i  
1234 CHBr2F dibromofluoromethane chbr2f  
1235 CHFClI fluorochloroiodomethane chfcli  
1236 CHCl2I dichloroiodomethane chcl2i  
1237 CHClBr2 Methane, dibromochloro- chclbr2  
1238 CHBr3 bromoform chbr3  
1239 CHI3 Iodoform chi3  
1240 NF3H+ protonated nitrogen trifluoride nf3h+  
1241 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1242 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1243 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1244 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1245 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1246 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1247 C2H2Br2 1,1-dibromoethene c2h2br2  
1248 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1249 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1250 CH2FCHO Fluoroacetaldehyde ch2fcho  
1251 CH2ClCHO chloroacetaldehyde ch2clcho  
1252 C2H4F2 1,2-difluoroethane c2h4f2  
1253 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1254 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1255 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1256 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1257 CH2CFCH3 2-fluoropropene 2fpro  
1258 CH2CHCH2F Allyl Fluoride allylf  
1259 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1260 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1261 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1262 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1263 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1264 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1265 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1266 CH2FCH2CH3 1-Fluoropropane prf1  
1267 CH3CHFCH3 2-Fluoropropane prf2  
1268 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1269 CH3CHClCH3 Propane, 2-chloro- prcl2  
1270 CH3CH2CH2Br n-propyl bromide prbr  
1271 CH3CHBrCH3 i-propyl bromide iprbr  
1272 C3H9O+ trimethyl oxonium cation c3h9o+  
1273 B5H9 pentaborane9 b5h9  
1274 C5H4 pentatetraene ptrene  
1275 C5H5 cyclopentadienyl radical c5h5  
1276 C5H5- cylopentadienyl anion c5h5-  
1277 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1278 C5H6 3-Penten-1-yne, (E)- c2004695  
1279 C5H6 3-Penten-1-yne, (Z)- c1574409  
1280 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1281 C5H6 Cyclopropylacetylene c6746947  
1282 C5H6 Propellane propellane  
1283 C5H7 1,3-pentadienyl radical pdyl  
1284 C5H7 cyclopentenyl radical cpyl  
1285 C5H8 1,2-Butadiene, 3-methyl- c598254  
1286 C5H8 1,2-Pentadiene c591957  
1287 C5H8 1,3-Butadiene, 2-methyl- c78795  
1288 C5H8 1,3-Pentadiene, (E)- c2004708  
1289 C5H8 1,3-Pentadiene, (Z)- c1574410  
1290 C5H8 1,4-Pentadiene c591935  
1291 C5H8 1-pentyne a1pentyne  
1292 C5H8 2,3-Pentadiene c591968  
1293 C5H8 Bicyclo[1.1.1]pentane bcp  
1294 C5H8 Cyclobutane, methylene- c1120565  
1295 C5H8 Cyclopentene c142290  
1296 C5H8 Ethenylcyclopropane c693867  
1297 CH3CCCH2CH3 2-Pentyne 2pentyne  
1298 C5H10 1-Butene, 2-methyl- c563462  
1299 C5H10 2-Butene, 2-methyl- c513359  
1300 C5H10 2-Pentene, (E)- c646048  
1301 C5H10 2-Pentene, (Z)- c627203  
1302 C5H10 Cyclopentane c287923  
1303 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1304 CH2CHCH2CH2CH3 1-pentene pentene  
1305 C5H11 2-Methylbut-2-yl radical c4348350  
1306 C5H12 Butane, 2-methyl- buta2  
1307 C5H12 Pentane pentane  
1308 C5H12 Propane, 2,2-dimethyl- neopentane  
1309 Si(CH3)4 tetramethylsilane tms  
1310 N2O3 Dinitrogen trioxide n2o3  
1311 C3H2N2 Malononitrile c3h2n2  
1312 CH2N4 1H-Tetrazole 1htz  
1313 C3H3N2 imidazolyl radical im  
1314 C3H3N2- imidizolyl anion im-  
1315 C2H3N3 1H-1,2,4-Triazole c288880  
1316 C4H4N pyrrolide radical c4h4n  
1317 C4H4N- pyrrolide anion c4h4n-  
1318 C3H4N2 1H-Imidazole 1himidaz  
1319 C3H4N2 1H-Pyrazole 1hpyraz  
1320 C3H4N2 2H-Imidazole imid2h  
1321 C3H4N2 4H-Imidazole imid4h  
1322 C4H5N (E)-2-Butenenitrile c627269  
1323 C4H5N (Z)-2-Butenenitrile c1190767  
1324 C4H5N 2H-pyrrole pyrrole2  
1325 C4H5N 3H-pyrrole pyrrole3  
1326 C4H5N Cyclopropanecarbonitrile c5500210  
1327 CH2CHCH2CN Allylcyanide ch2chch2cn  
1328 C4H6N+ pyrrole, alpha-protonated appyr  
1329 C4H6N+ pyrrole, beta-protonated bppyr  
1330 C4H6N+ pyrrole, protonated ppyr  
1331 C3H6N2 3-Aminopropionitrile c151188  
1332 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1333 CH3CH2CH2CN Butanenitrile c109740  
1334 C5H8 Bicyclo[2.1.0]pentane c185944  
1335 C5H8 Spiropentane c157404  
1336 C4H9N Cyclobutylamine cbam  
1337 C4H9N Pyrrolidine pyrrolidine  
1338 C3H10N2 1,2-Diaminopropane diampr12  
1339 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1340 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1341 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1342 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1343 NH(C2H5)2 diethylamine dea  
1344 NC4H12+ tetramethyl ammonium cation nc4h12+  
1345 C3O2+ Carbon suboxide cation c3o2+  
1346 B2O3 diboron trioxide b2o3  
1347 MgCO3 Magnesium Carbonate mgco3  
1348 BeCO3 Beryllium Carbonate beco3  
1349 CaCO3 Calcium Carbonate caco3  
1350 ONONO Nitrosyl nitrite onono  
1351 PO4--- phosphate po4---  
1352 SO4-- sulfate so4--  
1353 HOONO2 peroxy nitric acid hoono2  
1354 HSO4- bisulfate anion hso4-  
1355 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1356 C3H2O2 Propiolic acid c3h2o2  
1357 CHOCOOH oxo acetic acid oaa  
1358 CHOOCHO diformyl ether choocho  
1359 H2SeO4 Selenic acid h2seo4  
1360 C3H3NO Oxazole oxazole  
1361 C3H3NS Thiazole thiazole  
1362 CH3C(O)OO acetyl peroxy radical ch3coo2  
1363 CH3NO3 Methyl nitrate ch3no3  
1364 H3PO4 Phosphoric Acid h3po4  
1365 C4H4O+ Furan cation furan+  
1366 CH3COCCH 3-butyn-2-one c1423605  
1367 C4H4Se selenophene c4h4se  
1368 C3H4O2 β–Propiolactone beta  
1369 C3H4O2 2-Propenoic acid propenoic2  
1370 C3H4O2 Methyl glyoxal megly  
1371 C3H4O2 propanedial propanedial  
1372 C3H4O2 propenalol propenalol  
1373 HOCHCCHOH allenediol aldiol  
1374 C2H4O3 1,2,3-trioxolane c2h4o3  
1375 C2H4O3 trioxolane124 triox  
1376 HOCH2COOH Hydroxyacetic acid hac  
1377 CH2CHCONH2 Acrylamide c79061  
1378 CH3OCH2CN Methoxyacetonitrile c1738369  
1379 CH5N3S Hydrazinecarbothioamide c79196  
1380 H2NCH2COOH Glycine glycine  
1381 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1382 C4H6O cis-2-butenal butenal2c  
1383 C4H6O Cyclobutanone cbutone  
1384 C4H6O Furan, 2,3-dihydro- furan23h  
1385 C4H6O Furan, 2,5-dihydro- furan25h  
1386 CHOCHCHCH3 2-Butenal butenal2  
1387 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1388 CH2CHSCHCH2 Divinyl sulfide divis  
1389 C2H6N2O Urea, methyl- c598505  
1390 C3H6O2 1,3-Dioxolane dioxolane  
1391 CH3CH2COOH Propanoic Acid propanoic  
1392 CH3COOCH3 methyl acetate aame  
1393 HCOOC2H5 Ethyl formate faee  
1394 C2H6O2S Dimethyl sulfone c67710  
1395 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1396 C3H7NO dimethylformamide dmf  
1397 C3H7NO Propanamide propanam  
1398 C2H3OC2H5 Ethene, ethoxy- c109922  
1399 C4H8O Cyclobutanol c2919235  
1400 C4H8O Furan, tetrahydro- thf  
1401 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1402 CH3COCH2CH3 2-Butanone buta2one  
1403 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1404 CHOCH2CH2CH3 Butanal butanal  
1405 C4H8S Thiophene, tetrahydro- tht  
1406 C3H8O2 1,3-Propanediol c504632  
1407 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1408 C3H8O2 Methane, dimethoxy- c109875  
1409 C3H8O2 Propylene glycol c57556  
1410 C3H8S2 1,3-Propanedithiol c109808  
1411 C4H10O 1-Butanol butanol1  
1412 C4H10O 1-Propanol, 2-methyl- c78831  
1413 C4H10O 2-Butanol, (.+/-.)- butanol2  
1414 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1415 C4H10O Ethoxy ethane etoet  
1416 C4H10O Methyl propyl ether meopr  
1417 C4H10O Propane, 2-methoxy- c598538  
1418 C4H10O+ 1-Butanol cation butanol1+  
1419 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1420 C2H5SC2H5 Diethyl sulfide etset  
1421 C4H9SH 1-Butanethiol bush  
1422 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1423 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1424 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1425 ClONO2 Chlorine nitrate clono2  
1426 BrONO2 Bromine nitrate brono2  
1427 TiCl4 Titanium tetrachloride ticl4  
1428 ClO4- perchlorate anion clo4-  
1429 BF4- tetrafluoroboron anion bf4-  
1430 SO2F2 Sulfuryl fluoride so2f2  
1431 Cl3PO Phosphoryl chloride pcl3o  
1432 TiF4 Titanium tetrafluoride tif4  
1433 CF3Br Bromotrifluoromethane cf3br  
1434 GeF4 Germanium tetrafluoride gef4  
1435 CCl4+ Carbon tetrachloride cation ccl4+  
1436 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1437 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1438 CF3I trifluoroiodomethane cf3i  
1439 CBrCl3 Methane, bromotrichloro- cbrcl3  
1440 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1441 GeCl4 Germanium Tetrachloride gecl4  
1442 CBr2ClF dibromochlorofluoromethane cbr2clf  
1443 CBr2Cl2 dibromodichloromethane cbr2cl2  
1444 CCl3I trichloroiodomethane ccl3i  
1445 CFBr3 fluorotribromomethane cfbr3  
1446 CFClBrI fluorochlorobromoiodomethane cfclbri  
1447 CBr3Cl tribromochloromethane cbr3cl  
1448 CF2I2 difluorodiiodomethane cf2i2  
1449 CBr4 Carbon tetrabromide cbr4  
1450 CCl2I2 dichlorodiiodomethane ccl2i2  
1451 SiBr4 Silicon tetrabromide sibr4  
1452 CBr3I tribromoiododmethane cbr3i  
1453 GeBr4 Germanium tetrabromide gebr4  
1454 CI4 tetraiodomethane ci4  
1455 SiI4 silicon tetraiodide sii4  
1456 ClOF3 Chlorine trifluoride oxide clof3  
1457 SF4 Sulfur tetrafluoride sf4  
1458 SeF4 Selenium tetrafluoride sef4  
1459 SCl4 Sulfur tetrachloride scl4  
1460 C2HF3 Trifluoroethylene c2hf3  
1461 C2HF3+ Trifluoroethylene cation c2hf3+  
1462 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1463 HClO4 perchloric acid hclo4  
1464 HSO3F Fluorosulfonic acid hso3f  
1465 CF3OH trifluoromethanol cf3oh  
1466 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1467 CHClCCHCl 1,3-dichloroallene chclcchcl  
1468 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1469 CHCl2CHO dichloroacetaldehyde chcl2cho  
1470 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1471 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1472 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1473 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1474 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1475 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1476 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1477 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1478 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1479 NH3BCl3 Amminetrichloroboron nh3bcl3  
1480 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1481 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1482 C3H5ClO Oxirane, (chloromethyl)- c106898  
1483 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1484 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1485 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1486 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1487 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1488 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1489 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1490 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1491 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1492 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1493 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1494 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1495 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1496 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1497 C4H9F 1-fluorobutane butaf1  
1498 CH3CHFCH2CH3 2-fluorobutane butaf2  
1499 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1500 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1501 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1502 XeF4 Xenon tetrafluoride xef4  
1503 C2H2N2O Furazan furazan  
1504 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1505 NH3BF3 Amminetrifluoroboron nh3bf3  
1506 C6H2 hexatriyne c6h2  
1507 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1508 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1509 C6H4 Benzyne benzyne  
1510 C6H5 phenyl phenyl  
1511 C6H5- phenyl anion phenyl-  
1512 C6H6 Prismane prismane  
1513 C6H6 1,2,4,5-Hexatetraene ht1245  
1514 C6H6 2,4-Hexadiyne hexadiyne  
1515 C6H6 3,4-Dimethylenecyclobutene cb34m  
1516 C6H6 Benzvalene bv  
1517 C6H6 Dewar Benzene dewar  
1518 C6H6 Hexa-1,5-diene-3-yne hdy153  
1519 C6H6 Trimethylenecycopropane tmcp  
1520 C6H6+ Benzene cation c6h6+  
1521 C6H7+ benzene, protonated c6h7+  
1522 C6H8 (E)-hexa-1,3,5-triene c821078  
1523 C6H8 (E)-hexa-2,3,4-triene c59660650  
1524 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1525 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1526 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1527 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1528 C6H8 3-Methylenecyclopentene c930267  
1529 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1530 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1531 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1532 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1533 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1534 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1535 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1536 C6H10 1,5-Hexadiene c592427  
1537 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1538 C6H10 1-Hexyne hexyne1  
1539 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1540 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1541 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1542 C6H10 2-Hexyne c764352  
1543 C6H10 3-Hexyne hexyne3  
1544 C6H10 cyclohexene cyclohexene  
1545 C6H10 Cyclopentene, 1-methyl- c693890  
1546 C6H10 Cyclopentene, 3-methyl- c1120623  
1547 C6H10 Cyclopentene, 4-methyl- c1759815  
1548 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1549 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1550 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1551 C6H12 (E)-2-Hexene e2hexene  
1552 C6H12 (E)-3-methylpent-2-ene c616126  
1553 C6H12 (E)-hex-3-ene e3hexene  
1554 C6H12 (Z)-3-methylpent-2-ene c922623  
1555 C6H12 (Z)-hex-2-ene z2hexene  
1556 C6H12 (Z)-hex-3-ene z3hexene  
1557 C6H12 2,3-dimethylbut-1-ene c563780  
1558 C6H12 2,3-dimethyl-but-2-ene tmeet  
1559 C6H12 3-methylenepentane c760214  
1560 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1561 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1562 C6H12 Cyclohexane cyclohexane  
1563 C6H12 Cyclopentane, methyl- c96377  
1564 C6H12 Ethylcyclobutane c4806615  
1565 C6H12 hex-1-ene hexene1  
1566 C6H14 Butane, 2,2-dimethyl- buta22  
1567 C6H14 Butane, 2,3-dimethyl- buta23  
1568 C6H14 Hexane hexane  
1569 C6H14 Pentane, 2-methyl- penta2  
1570 C6H14 Pentane, 3-methyl- penta3  
1571 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1572 C4H2N2 Fumaronitrile c4h2n2  
1573 C2H2N4 sym-tetrazine ttz  
1574 CH3N5 5-Aminotetrazole c4418615  
1575 C4H4N2 1,3-Diazine diazine13  
1576 C4H4N2 Pyridazine pyridazine  
1577 C4H4N2 Succinonitrile c110612  
1578 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1579 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1580 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1581 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1582 C5H5N E-2,4-pentadienenitrile bdcn  
1583 C5H5N Pyridine pyridine  
1584 B3N3H6 borazine borazine  
1585 C6H6 Fulvene fulvene  
1586 C5H6N+ Pyridinium c5h6n  
1587 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1588 C5H7N (E)-2-Pentenenitrile c26294984  
1589 C5H7N (E)-3-Pentenenitrile c16529661  
1590 C5H7N (Z)-2-Pentenenitrile c25899507  
1591 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1592 C5H7N Cyclobutanecarbonitrile c4426113  
1593 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1594 C5H9N Butanenitrile, 2-methyl- c18936179  
1595 C5H9N Pentanenitrile c110598  
1596 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1597 C6H10 Bicyclo[3.1.0]hexane c285585  
1598 C5H11N Cyclopentanamine cypentam  
1599 C5H11N Piperidine piper  
1600 C4H12N2 1,2-Butanediamine c4426486  
1601 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1602 Li2CO3 Lithium Carbonate li2co3  
1603 Na2CO3 Sodium Carbonate na2co3  
1604 C2O4-- oxalate anion c2o4  
1605 MgSO4 Magnesium Sulfate mgso4  
1606 C3H2O3 vinylene carbonate vica  
1607 C2H2O4 Oxalic Acid oxalic  
1608 C2H3NO3 Oxamic acid oxamic  
1609 C4H4O2 2(5H)-Furanone furanone  
1610 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1611 C2H4N2O2 Oxalamide oxalamide  
1612 C2H4N2S2 Ethanedithioamide c79403  
1613 C2H4CO3 Ethylene carbonate etco3  
1614 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1615 C3H4S3 1,3-Dithiolane-2-thione c822388  
1616 C2H4O4 Formic acid dimer fadimer  
1617 C4H5NO 3-Methylisoxazole isox3m  
1618 C4H5NO Isoxazole, 5-methyl- c5765446  
1619 C4H5NS 4-Methylthiazole c693958  
1620 C2H5NO3 Nitric acid, ethyl ester c625581  
1621 C5H6O 2H-Pyran pyran2  
1622 C5H6O 2-methylfuran furan2m  
1623 C5H6O 3-Methylfuran furan3m  
1624 C5H6O Pentadienal pdal  
1625 C5H6S Thiophene, 2-methyl- c554143  
1626 C5H6S Thiophene, 3-methyl- c616444  
1627 C4H6O2 γ–Butyrolactone c96480  
1628 C4H6O2 2,3-Butanedione c431038  
1629 C4H6O2 2-Propenoic acid, methyl ester c96333  
1630 C4H6O2 Crotonic Acid crot  
1631 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1632 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1633 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1634 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1635 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1636 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1637 C4H6OS Vinyl sulfoxide c1115157  
1638 CH6N4S Carbonothioic dihydrazide thiacarb  
1639 C2H6N2O2 (E)-Azodioxymethane c37765154  
1640 C2H6N2O2 Dimethylnitroamine c4164287  
1641 C3H6O3 1,3,5-Trioxane trioxane  
1642 C3H6S3 1,3,5-Trithiane c3h6s3  
1643 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1644 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1645 C4H7NO 2-Pyrrolidinone c616455  
1646 C4H7NO Ethoxyacetonitrile etoaccn  
1647 C4H7NO Methacrylamide c79390  
1648 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1649 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1650 C3H7ONO Propyl nitrite prono  
1651 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1652 CH3CH(NH2)COOH Alanine alanine  
1653 CH3NHCH2COOH Sarcosine sarcosine  
1654 NH2CH2CH2COOH β–alanine betaalanine  
1655 NH2COOC2H5 Urethane urethane  
1656 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1657 C5H8O Cyclopentanone c120923  
1658 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1659 C5H8O Methyl cyclopropyl ketone c765435  
1660 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1661 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1662 NH2CONHC2H5 Urea, ethyl- c625525  
1663 C4H8O2 1,3-Dioxane dioxan13  
1664 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1665 C4H8O2 1,4-Dioxane dioxan14  
1666 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1667 C4H8O2 Ethyl acetate c141786  
1668 C4H8OS s-Ethyl thioacetate c625605  
1669 C3H8O3 1,2,3-Propanetriol glycerin  
1670 C3H8O2S (Methylsulfonyl)ethane c594434  
1671 C4H9NO Butanamide c541355  
1672 C4H9NO Propanamide, 2-methyl- c563837  
1673 C5H10O 2-Butanone, 3-methyl- c563804  
1674 C5H10O 2H-Pyran, tetrahydro- c142687  
1675 C5H10O 2-methylbutyraldehyde 2meba  
1676 C5H10O 2-Pentanone mpk  
1677 C5H10O 3-Pentanone dek  
1678 C5H10O Cyclopentanol c96413  
1679 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1680 C5H10O Pentanal pal  
1681 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1682 C5H10S 3-Ethylthio-1-propene c5296628  
1683 C5H10S Cyclopentanethiol c1679078  
1684 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1685 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1686 C4H10O2 1,1-Dimethoxyethane c534156  
1687 C4H10O2 1,3-Butanediol budiol13  
1688 C4H10O2 1,4-Butanediol budiol14  
1689 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1690 C4H10OS Diethyl sulfoxide c70291  
1691 C4H10S2 1,4-Butanedithiol budisl14  
1692 C4H11NO Diethylhydroxylamine c3710847  
1693 C5H12O 1-Butanol, 2-methyl- c137326  
1694 C5H12O 1-Butanol, 3-methyl- c123513  
1695 C5H12O 1-Pentanol pentanol1  
1696 C5H12O 2-Butanol, 3-methyl- c598754  
1697 C5H12O 2-Pentanol peol2  
1698 C5H12O 3-Pentanol pentan3ol  
1699 C5H12O Butane, 1-methoxy- meobu  
1700 C5H12O Propane, 1-ethoxy- proet  
1701 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1702 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1703 C5H12S 1-Butanethiol, 3-methyl- c541311  
1704 C5H12S 1-Pentanethiol c110667  
1705 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1706 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1707 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1708 C5H12S Butane, 1-(methylthio)- c628295  
1709 C5H12S Ethyl propyl sulfide c4110503  
1710 C5H12S Propane, 2-(ethylthio)- c5145993  
1711 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1712 C4F2 difluorobutadiyne c4f2  
1713 ClCOClCO Oxalyl chloride oxcl  
1714 CF3CN Acetonitrile, trifluoro- cf3cn  
1715 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1716 C2F4+ Tetrafluoroethylene cation c2f4+  
1717 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1718 CF2CCl2 difluorodichloroethylene cf2ccl2  
1719 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1720 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1721 C2FCl3 fluorotrichloroethene c2fcl3  
1722 C2Br4 tetrabromoethene c2br4  
1723 CF3OF Trifluoromethylhypofluorite cf3of  
1724 SiF5- silicon pentafluoride anion sif5-  
1725 SOF4 Sulfur tetrafluoride oxide sof4  
1726 AsF5 Arsenic pentafluoride asf5  
1727 SF5 Sulfur pentafluoride sf5  
1728 SF5+ pentafluoro sulfur cation sf5+  
1729 SbCl5 Antimony pentachloride sbcl5  
1730 BrF5 bromine pentafluoride brf5  
1731 ClF5 chlorinepentafluoride clf5  
1732 IF5 pentafluoroiodine if5  
1733 CF3CHO trifluoroacetaldehyde cf3cho  
1734 CCl3CHO trichloroacetaldehyde ccl3cho  
1735 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1736 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1737 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1738 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1739 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1740 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1741 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1742 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1743 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1744 CF3COOH trifluoroacetic acid cf3cooh  
1745 C4H3ClO Furan, 2-chloro fur2cl  
1746 C4H3ClO Furan,3-chloro fur3cl  
1747 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1748 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1749 C4H8Cl2 1,4-Dichlorobutane c110565  
1750 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1751 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1752 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1753 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1754 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1755 C5H11Cl Pentane, 1-chloro- pencl1  
1756 C4H8O2 Butanoic acid bua  
1757 C6H5CH2 benzyl radical benzyl  
1758 C7H7 cycloheptatrienyl radical c7h7  
1759 C7H7+ cycloheptatrienyl cation c7h7+  
1760 C6H5CH3 toluene toluene  
1761 C7H8 cycloheptatriene cht  
1762 C7H8 Norbornadiene norbor  
1763 C7H8 Quadricyclane qucy  
1764 C7H12 Norbornane nor  
1765 C7H14 cycloheptane c7h14  
1766 C7H16 2-methylhexane 2mhex  
1767 C7H16 3-methylhexane hex3m  
1768 C7H16 heptane heptane  
1769 CH(CN)3 tricyanomethane mecn3  
1770 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1771 C6H7N 2-Methylpyridine mp  
1772 C6H5NH2 aniline aniline  
1773 C6H13N 2-Methylpiperidine pip2m  
1774 C6H13N cyclohexanamine cham  
1775 C6H15N triethylamine tea  
1776 N2O5 Dinitrogen pentoxide n2o5  
1777 C4H2O3 Maleic Anhydride malan  
1778 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1779 C5H4O2 furfural furfural  
1780 C6H5O phenoxy radical phenoxy  
1781 C5H5NO 2(1H)-Pyridinone c72762006  
1782 C5H5NO 2(3H)-Pyridinone c9000048  
1783 C5H5NO 2(5H)-Pyridinone c9000037  
1784 C5H5NO 2-Pyridinol c109104  
1785 C5H5NO 3(2H)-Pyridinone c9000004  
1786 C5H5NO 3(4H)-Pyridinone c9000026  
1787 C5H5NO 3(6H)-Pyridinone c9000015  
1788 C5H5NO 3-Pyridinol c109002  
1789 C5H5NO 4(1H)-Pryidinone c9000060  
1790 C5H5NO 4(3H)-Pryidinone c9000059  
1791 C5H5NO 4-Pyridinol c626642  
1792 C6H5OH phenol phenol  
1793 C6H6O 2,4-Cyclohexadienone c24599573  
1794 C6H6O 2,5-Cyclohexadienone c5664335  
1795 C6H5SH Benzenethiol phsh  
1796 HO2CCHNH2CH2OH Serine serine  
1797 C5H8O2 Acetylacetone acac  
1798 C4H8O2S Sulfolane sulfolane  
1799 C7H10 Norbornene norbornene  
1800 CH(C2H3)3 trivinyl methane tvm  
1801 C6H10O cyclohexanone chexo  
1802 C6H12O hexanal c6h12o  
1803 C6H12O Oxepane oxepane  
1804 C3H7OC3H7 di-n-propyl ether propr  
1805 F2CCCF2 tetrafluoroallene pfa  
1806 CF3COO- trifluoro acetate anion cf3coo-  
1807 CF3COF trifluoroacetyl fluoride cf3cof  
1808 CF3COCl trifluoroacetyl chloride cf3cocl  
1809 PF6 Hexafluorophosphate neutral pf6  
1810 PF6- Hexafluorophosphate ion pf6-  
1811 SF6 Sulfur Hexafluoride sf6  
1812 SeF6 Selenium hexafluoride sef6  
1813 SF5Cl sulfur chloropentafluoride sf5cl  
1814 CF3CHF2 pentafluoroethane cf3chf2  
1815 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1816 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1817 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1818 CCl3CHCl2 pentachloroethane ccl3chcl2  
1819 C6H5F Fluorobenzene bzf  
1820 C6H5Cl chlorobenzene bzcl  
1821 C6H5Br bromobenzene bzbr  
1822 C8H6 Calicene calicene  
1823 C6H5CCH phenylacetylene phac  
1824 C8H6 benzocyclobutadiene bcbd  
1825 C8H6 Pentalene pentalene  
1826 C6H5CHCH2 Styrene styrene  
1827 C8H8 cubane cubane  
1828 C8H8 cyclooctatetraene cot  
1829 C6H5CH2CH3 Ethylbenzene etbz  
1830 CH3C6H4CH3 meta-xylene mxylene  
1831 CH3C6H4CH3 paraxylene pxylene  
1832 C8H14 Bicyclo[2.2.2]octane bico222  
1833 C8H16 cyclooctane cyclooct  
1834 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1835 C8H18 Octane c8h18  
1836 C6H5CN phenyl cyanide phcn  
1837 C6H12N2 Triethylenediamine ted  
1838 C4O4-- squarate dianion c4o4--  
1839 S4N4 Tetrasulfur tetranitride s4n4  
1840 S8 Octasulfur s8  
1841 C6H4O2 parabenzoquinone pbq  
1842 C4H4N2O2 Uracil uracil  
1843 C6H5CHO benzaldehyde benzal  
1844 C6H5OCH3 Anisole anisole  
1845 C5H9NO2 Proline proline  
1846 C6H12O2 Methyl pivalate c598981  
1847 C6H12O2 Hexanoic acid hexa  
1848 C4F4 tetrafluorcyclobutadiene c4f4  
1849 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1850 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1851 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1852 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1853 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1854 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1855 C2F6 hexafluoroethane c2f6  
1856 C2Cl6 hexachloroethane c2cl6  
1857 IF7 Iodine heptafluoride if7  
1858 C6H4F2 metadifluorobenzene mdfb  
1859 C6H4F2 orthodifluorobenzene odfb  
1860 C6H4F2 1,4-difluorobenzene pdfb  
1861 C6H4Cl2 1,2-dichlorobenzene dcb12  
1862 C6H4Cl2 1,3-dichlorobenzene dcb13  
1863 C6H4Cl2 1,4-dichlorobenzene dcb14  
1864 C6H5NO nitrosobenzene bzno  
1865 C9H8 Indene indene  
1866 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1867 C9H12 n-propyl benzene prbz  
1868 C9H20 Nonane nonane  
1869 C(CN)4 tetracyanomethane c5n4  
1870 C5H4N4 purine purine  
1871 C8H7N Indole indole  
1872 C3H3N3O3 cyanuric acid cyanuric  
1873 C6H5NO2 Nitrobenzene c6h5no2  
1874 C6H5COOH benzoic acid benzo  
1875 CH3COC6H5 acetophenone acph  
1876 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1877 C3F6 hexafluoropropene c3f6  
1878 C6H3F3 Benzene trifluoride 123 bzf3a  
1879 C8H18O 1-Octanol octanol  
1880 C10H8 Azulene azu  
1881 C10H8 naphthalene naph  
1882 C10H10 bullvalene bullv  
1883 C10H16 adamantane adamantane  
1884 C6N4 Tetracyanoethylene tcne  
1885 C6N4- tetracyanoethylene anion tcne-  
1886 C10H22 Decane decane  
1887 C4F6 perfluorobutadiene c4f6  
1888 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1889 C3F8 perfluoropropane c3f8  
1890 Fe(CO)5 Iron pentacarbonyl ipc  
1891 Fe(C5H5)2 ferrocene fecp2  
1892 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1893 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1894 C12H8 Acenaphthylene acenaph  
1895 C12H8 biphenylene biph  
1896 C12H10 biphenyl biphenyl  
1897 C12H10 Heptalene heptalene  
1898 C6H12O6 Inositol inositol  
1899 C6F6 hexafluorobenzene c6f6  
1900 S2F10 disulphur decafluoride s2f10  
1901 C13H10 Fluorene fluorene  
1902 C14H10 Anthracene anth  
1903 C14H10 Phenanthrene phenanthrene  
1904 C14H14 Bibenzyl bibenzyl  
1905 C12H10N2 azobenzene azobenzene  
1906 C6H5COC6H5 benzophenone benzophenone  
1907 C16H10 Pyrene pyrene  
1908 C18H12 Tetracene tetracene  
1909 C19H16 Triphenylmethane tpm  
1910 C24H12 Coronene coronene  
1911 C60 Buckminsterfullerene c60