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Release 22May 2022
NIST Standard Reference Database 101
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III.F.1. (I.A.4.)

List of which calculations are completed at CCSD(T)//B3LYP/6-31G(2df,p) /cc-pV(T+d)Z

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 H2- hydrogen diatomic anion 2Σu+D∞h
7 H2+ Hydrogen cation 2Σg+D∞h
8 HD Deuterium hydride 1ΣgD∞h
9 H3+ hydrogen trimer cation 1A1'D3h
10 He Helium atom 1SKh
11 Li Lithium atom 2SKh
12 Na Sodium atom 2SKh
13 Na+ Sodium atom cation 1SKh
14 LiH Lithium Hydride 1ΣC∞v
15 LiH+ lithium hydride cation 2ΣC∞v
16 NaH sodium hydride 1ΣC∞v
17 Be Beryllium atom 1SKh
18 Mg Magnesium atom 1SKh
19 BeH beryllium monohydride 2ΣC∞v
20 BeH- berylium monohydride anion 1ΣC∞v
21 BeH+ beryllium monohydride cation 1ΣC∞v
22 MgH magnesium monohydride 2ΣC∞v
23 BeH2 beryllium dihydride 1ΣgD∞h
24 MgH2 magnesium dihydride 1ΣgD∞h
25 B Boron atom 2PKh
26 BH Boron monohydride 1ΣC∞v
27 BH- boron monohydride anion 2ΠC∞v
28 BH2 boron dihydride 2A1C2v
29 BH3 boron trihydride 1A1'D3h
30 BH4- borohydride anion 1A1Td
31 C Carbon atom 3P0Kh
32 CH Methylidyne 2Π1/2C∞v
33 CH- methylidyne anion 3ΣC∞v
34 CH+ Methylidyne cation 1ΣC∞v
35 CH2 Methylene 3B1C2v
36 CH3 Methyl radical 2A1D3h
37 CH3- methyl anion 1A1C3v
38 CH4 Methane 1A1Td
39 NH Imidogen 3Σ-C∞v
40 NH- Imidogen anion 2ΠC∞v
41 NH+ imidogen cation 2ΠC∞v
42 ND2 Amidogen-d2 2B1C2v
43 NH2 Amino radical 2B1C2v
44 ND3 Ammonia-d3 1A1C3v
45 NH3 Ammonia 1A1C3v
46 NH3+ ammonia cation 2A2"D3h
47 NH4+ ammonium cation 1A1Td
48 O Oxygen atom 3SKh
49 DO Hydroxyl-d 2ΠC∞v
50 OH Hydroxyl radical 2ΠC∞v
51 OH- hydroxide anion 1ΣC∞v
52 OH+ hydoxyl cation 3ΣC∞v
53 D2O Deuterium oxide 1A1C2v
54 H2O Water 1A1C2v
55 HDO Water-d1 1A1C2v
56 H3O+ hydronium cation 1A1C3v
57 F Fluorine atom 2PKh
58 DF Hydrofluoric acid-d 1ΣC∞v
59 HF Hydrogen fluoride 1ΣC∞v
60 HF- hydrogen fluoride anion 2ΣC∞v
61 HF+ hydrogen fluoride cation 2ΠC∞v
62 H2F+ dihydrogen fluoride cation 1A1C2v
63 Ne Neon atom 1SKh
64 NeH+ neon hydrogen cation 1ΣC∞v
65 Li2 Lithium diatomic 1ΣgD∞v
66 Li2+ lithium diatomic cation 2ΣgD∞h
67 NaLi lithium sodium 1ΣC∞v
68 Na2 Sodium diatomic 1ΣgD∞h
69 Be2+ Beryllium diatomic cation 2ΣuD∞h
70 Mg2 Magnesium diatomic 1ΣgD∞h
71 B2H6 Diborane 1AgD2h
72 C2 Carbon diatomic 1Σg+D∞h
73 C2- carbon diatomic anion 2ΣgD∞h
74 C2+ carbon diatomic cation 2ΠD∞h
75 C2H Ethynyl radical 2ΣC∞v
76 C2H2 Acetylene 1ΣgD∞h
77 C2H2+ acetylene cation 2ΠuD∞h
78 CCH2 vinylidene 1A1C2v
79 C2H3 vinyl 2A'Cs
80 C2H4 Ethylene 1AgD2h
81 C2H5 Ethyl radical 2A'Cs
82 C2H6 Ethane 1A1gD3d
83 BN- boron nitride anion 2ΣC∞v
84 BN boron nitride 3ΠC∞v
85 CN Cyano radical 2ΣC∞v
86 CN- cyanide anion 1ΣC∞v
87 CN+ Cyano cation 1ΣC∞v
88 N2 Nitrogen diatomic 1ΣgD∞h
89 N2- nitrogen diatomic anion 2ΠgD∞h
90 N2+ diatomic nitrogen cation 2ΣgD∞h
91 HNC hydrogen isocyanide 1ΣC∞v
92 HCN Hydrogen cyanide 1ΣC∞v
93 NNH Dinitrogen monohydride 2A'Cs
94 N2H2 (E)-diazene 1AgC2h
95 CH2NH Methanimine 1A'Cs
96 CH2NH2+ methyleneamine cation 1A1C2v
97 N2H4 Hydrazine 1AC2
98 CH3NH2 methyl amine 1A'Cs
99 LiO lithium oxide 2ΣC∞v
100 NaO sodium monoxide 2ΣC∞v
101 BeO beryllium oxide 1ΣC∞v
102 MgO magnesium oxide 1Σ+C∞v
103 BO boron monoxide 2ΣC∞v
104 BO+ boron monoxide cation 1ΣC∞v
105 CO Carbon monoxide 1ΣC∞v
106 CO- carbon monoxide anion 2ΠC∞v
107 NO Nitric oxide 2ΠC∞v
108 NO- nitric oxide anion 3ΣC∞v
109 NO+ nitric oxide cation 1ΣC∞v
110 O2 Oxygen diatomic 3ΣgD∞h
111 O2- oxygen diatomic anion 2ΠD∞h
112 O2+ diatomic oxygen cation 2ΠgD∞h
113 LiOH lithium hydroxide 1ΣC∞v
114 NaOH sodium hydroxide 1ΣC∞v
115 BeOH beryllium monohydroxide 2A'Cs
116 MgOH magnesium hydroxide 2A'Cs
117 HBO Boron hydride oxide 1ΣC∞v
118 HCO Formyl radical 2A'Cs
119 HNO Nitrosyl hydride 1A'Cs
120 HO2 Hydroperoxy radical 2A"Cs
121 H2CO Formaldehyde 1A1C2v
122 H2O2 Hydrogen peroxide 1AC2
123 CH2OH Hydroxymethyl radical 2AC1
124 CH2OH+ hydroxymethyl cation 1A'Cs
125 CH3O Methoxy radical 2A'C1
126 NH2OH hydroxylamine 1A'Cs
127 CH3OH Methyl alcohol 1A'Cs
128 LiF lithium fluoride 1ΣC∞v
129 NaF sodium fluoride 1ΣC∞v
130 BeF Beryllium monofluoride 2ΣC∞v
131 MgF Magnesium monofluoride 2ΣC∞v
132 BF Boron monofluoride 1ΣC∞v
133 CF Fluoromethylidyne 2ΠC∞v
134 CF+ carbon monofluoride cation 1ΣC∞v
135 NF nitrogen fluoride 3ΣC∞v
136 FO Oxygen monofluoride 2ΠC∞v
137 FO- flourine oxide anion 1ΣC∞v
138 FO+ fluorine monoxide cation 3ΣC∞v
139 F2 Fluorine diatomic 1ΣgD∞h
140 F2- flourine diatomic anion 2ΣuD∞h
141 F2+ flourine diatomic cation 2ΠgD∞h
142 HCF Fluoromethylene 1A'Cs
143 HOF Hypofluorous acid 1A'Cs
144 H2F2 Hydrogen fluoride dimer 1AgCs
145 CH3F Methyl fluoride 1A1C3v
146 C3 carbon trimer 1ΣgD∞h
147 C3H3 Propargyl radical 2B1Cs
148 CH2CCH2 allene 1A1D2d
149 CH3CCH propyne 1A'C3v
150 C3H6 Cyclopropane 1A1'D3h
151 CH2CHCH3 Propene 1A'Cs
152 C3H7 n-Propyl radical 2A"C1
153 C3H8 Propane 1A1C2v
154 HN3 hydrogen azide 1A'Cs
155 CH3CN Acetonitrile 1A1C3v
156 CH3NC methyl isocyanide 1A1C3v
157 NHCHNH2 aminomethanimine 1AC1
158 C2H5N Aziridine 1A'C1
159 CH3CH2NH2 Ethylamine 1A'Cs
160 CH3NHCH3 Dimethylamine 1A'Cs
161 Li2O dilithium oxide 1ΣgD∞h
162 BO2 Boron dioxide 2A'D∞h
163 N2O Nitrous oxide 1ΣC∞v
164 CO2 Carbon dioxide 1ΣgD∞h
165 NO2 Nitrogen dioxide 2A1C2v
166 O3 Ozone 1A1Cs
167 HCCO ketenyl radical 2ΠC∞v
168 HCNO fulminic acid 1ΣC∞v
169 HNCO Isocyanic acid 1A'Cs
170 HOCN cyanic acid 1A'Cs
171 HCO2- formate anion 1A1C2v
172 HNO2 Nitrous acid 1A'Cs
173 CH2CO Ketene 1A1C2v
174 CH2O2 Dioxirane 1A1C2v
175 HCOOH Formic acid 1A'Cs
176 CH3CO Acetyl radical 2A'Cs
177 CHONH2 formamide 1A'Planar
178 CH3OO methylperoxy radical 2A"Cs
179 C2H4O Ethylene oxide 1A1C2v
180 CH2CHOH ethenol 1A'Cs
181 CH3CHO Acetaldehyde 1A'Cs
182 CH3CH2OH Ethanol 1A'Cs
183 CH3OCH3 Dimethyl ether 1A1C2v
184 FNO Nitrosyl fluoride 1A'Cs
185 CF2 Difluoromethylene 1A1D∞h
186 FOO Dioxygen monofluoride radical 2A"Cs
187 NF2 Difluoroamino radical 2B1C2v
188 F2O Difluorine monoxide 1A1C2v
189 HCCF Fluoroacetylene 1ΣC∞v
190 HFCO formyl fluoride 1A'Cs
191 BHF2 Difluoroborane 1A1C2v
192 CH2F2 Methane, difluoro- 1A1C2v
193 CH2CHF Ethene, fluoro- 1A'Cs
194 C2H5F fluoroethane 1A'Cs
195 C4 Carbon tetramer 3ΣgD∞h
196 C4H2 Diacetylene 1ΣgD∞h
197 C2H3CCH 1-Buten-3-yne 1A'C1
198 H2CCCCH2 Butatriene 1AgD2h
199 C4H6 1-Methylcyclopropene 1AC1
200 C4H6 Cyclobutene 1A1C2v
201 C4H6 Methylenecyclopropane 1A1C2v
202 CH3CCCH3 2-Butyne 1A1'D3h
203 CH2C(CH3)CH3 1-Propene, 2-methyl- 1A1C2v
204 CH3CHCHCH3 2-Butene, (E)- 1AgC2h
205 C(CH3)3 Tert-butyl radical 2A"C3v
206 CH3CH2CH2CH3 Butane 1AgAnti
207 C2N2 Cyanogen 1ΣgD∞h
208 HCCCN Cyanoacetylene 1ΣC∞v
209 C3H3N acrylonitrile 1A'Cs
210 C3H7N Cyclopropylamine 1A'C1
211 C4H8 cyclobutane 1A1D2d
212 C2H8N2 Ethylenediamine 1AgC2h
213 CH3CH(NH2)CH3 2-Propanamine 1A'Cs
214 N(CH3)3 Trimethylamine 1A1C3v
215 B2O2 Diboron dioxide 1ΣgD∞h
216 CO3-- carbonate 1A1'D3h
217 HNO3 Nitric acid 1A'Cs
218 C2H2O2 Ethanedial 1AgC2h
219 CH3COO- acetate anion 1A'eclipsed
220 CH3NO2 Methane, nitro- 1A'Cs
221 CH3ONO Methyl nitrite 1A'C1
222 C3H4O allenol 1A'Cs
223 C3H4O Cyclopropanone 1A1C2v
224 NH2CONH2 Urea 1AC2
225 CH3COOH Acetic acid 1A'Cs
226 CH3OCHO methyl formate 1A'Cs
227 CHOCH2OH hydroxy acetaldehyde 1A'CS H in
228 CH3CHNOH Acetaldoxime 1A'CS trans
229 CH3CONH2 Acetamide 1A'C1
230 C3H6O Propylene oxide 1AC1
231 CH3COCH3 Acetone 1A1C2v
232 C2H6O2 1,2-Ethanediol 1AgC2h
233 C3H7OH 1-Propanol 1A'Cs
234 CH3OC2H5 Ethane, methoxy- 1A'Cs
235 C2F2 difluoroacetylene 1ΣgD∞h
236 N2F2 (Z)-Difluorodiazene 1A1C2v
237 N2F2 Dinitrogen difluoride, (E)- 1AgC2h
238 CF2O Carbonic difluoride 1A1C2v
239 BF3 Borane, trifluoro- 1A'D3h
240 CF3 Trifluoromethyl radical 2A1C3v
241 NF3 Nitrogen trifluoride 1A1C3v
242 CHF3 Methane, trifluoro- 1A1C3v
243 C2H2F2 Ethene, 1,2-difluoro-, (Z)- 1A1C2v
244 CH2CF2 Ethene, 1,1-difluoro- 1A1C2v
245 CH3COF Acetyl fluoride 1A'NULL
246 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
247 C5H5- cylopentadienyl anion 1A1'D5h
248 C5H6 1,3-Cyclopentadiene 1A1C2v
249 C5H6 1-Buten-3-yne, 2-methyl- 1A'Cs
250 C5H6 3-Penten-1-yne, (E)- 1A'Cs
251 C5H6 3-Penten-1-yne, (Z)- 1A'Cs
252 C5H8 1,3-Pentadiene, (E)- 1A'C1
253 C5H12 Pentane 1A1C2v
254 C5H12 Propane, 2,2-dimethyl- 1A1Td
255 C3H2N2 Malononitrile 1A1Cs
256 C3H4N2 1H-Imidazole 1A'Cs
257 C3H4N2 1H-Pyrazole 1A'Cs
258 C4H5N Cyclopropanecarbonitrile 1A'Cs
259 C4H5N Pyrrole 1A1C2v
260 C5H8 Spiropentane 1A1D2d
261 C4H9N Pyrrolidine 1A'Cs
262 C3O2 Carbon suboxide 1ΣGD∞h
263 C3H3NO Isoxazole 1A'Cs
264 CH3NO3 Methyl nitrate 1A'Cs
265 C4H4O Furan 1A1C2
266 C3H4O2 β–Propiolactone 1A'Cs
267 C3H4O2 2-Propenoic acid 1A'Cs
268 C3H4O2 propanedial 1AC1
269 C3H4O2 propenalol 1A'Cs
270 CH2CHCONH2 Acrylamide 1ACs
271 H2NCH2COOH Glycine 1A'Cs
272 C4H6O cis-2-butenal 1ACs
273 C4H6O Cyclobutanone 1A1C2v
274 C4H6O Furan, 2,3-dihydro- 1AC1
275 C4H6O Furan, 2,5-dihydro- 1A1Cs
276 CH2CHOCHCH2 Vinyl ether 1A1C2v
277 CHOCHCHCH3 2-Butenal 1A'Cs
278 CH3COOCH3 methyl acetate 1A'Cs
279 C4H8O Cyclobutanol 1A'C1
280 C3H8O2 Hydroperoxide, 1-methylethyl 1AC1
281 FNO3 Fluorine nitrate 1A'Cs
282 BF4- tetrafluoroboron anion 1A1Td
283 F3NO Nitrogen trifluoride oxide 1A1C3v
284 CF4 Carbon tetrafluoride 1A1Td
285 C2HF3 Trifluoroethylene 1A'Cs
286 CH3CF3 Ethane, 1,1,1-trifluoro- 1A1C3v

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 He- Helium atom anion he-  
5 He+ Helium atom cation he+  
6 HeH Helium hydride heh  
7 HeH+ Helium hydride cation heh+  
8 He2+ helium diatomic cation he2+  
9 Li- Lithium atom anion li-  
10 Li+ Lithium atom cation li+  
11 Na- Sodium atom anion na-  
12 K Potassium atom k  
13 K- Potassium atom anion k-  
14 K+ Potassium atom cation k+  
15 Cu Copper atom cu  
16 Cu- Copper atom anion cu-  
17 Cu+ Copper atom cation cu+  
18 LiH- lithium hydride anion lih-  
19 NaH- sodium hydride anion nah-  
20 NaH+ sodium hydride cation nah+  
21 KH Potassium hydride kh  
22 KH+ Potassium hydrogen cation kh+  
23 CuH Copper monohydride cuh  
24 Be- Beryllium atom anion be-  
25 Be+ Beryllium atom cation be+  
26 Mg- Magnesium atom anion mg-  
27 Mg+ Magnesium atom cation mg+  
28 Ca Calcium atom ca  
29 Ca- Calcium atom anion ca-  
30 Ca+ Calcium atom cation ca+  
31 Zn Zinc atom zn  
32 Zn- Zinc atom anion zn-  
33 Zn+ Zinc atom cation zn+  
34 MgH- magnesium monohydride anion mgh-  
35 MgH+ magnesium monohydride cation mgh+  
36 CaH Calcium monohydride cah  
37 CaH+ Calcium monohydride cation cah+  
38 TiH Titanium monohydride tih  
39 ZnH Zinc monohydride znh  
40 ZnH+ Zinc, protonated znh+  
41 BeH2+ Beryllium dihydride cation beh2+  
42 CaH2 Calcium Hydride cah2  
43 ZnH2 Zinc hydride znh2  
44 B- Boron atom anion b-  
45 B+ Boron atom cation b+  
46 Al Aluminum atom al  
47 Al- Aluminum atom anion al-  
48 Al+ Aluminum atom cation al+  
49 Sc Scandium atom sc  
50 Sc+ Scandium cation sc+  
51 Ga Gallium atom ga  
52 Ga- Gallium atom anion ga-  
53 Ga+ Gallium atom cation ga+  
54 BH+ boron monohydride cation bh+  
55 AlH aluminum monohydride alh  
56 AlH- aluminum monohydride anion alh-  
57 AlH+ aluminum monohydride cation alh+  
58 ScH Scandium monohydride sch  
59 ScH+ Scandium monohydride cation sch+  
60 GaH Gallium monohydride gah  
61 GaH+ Gallium monohydride cation gah+  
62 BH2- boron dihydride anion bh2-  
63 BH2+ Boron dihydride cation bh2+  
64 AlH2 aluminum dihydride alh2  
65 AlH2- aluminum dihydride anion alh2-  
66 AlH2+ aluminum dihydride cation alh2+  
67 BH3- boron trihydride anion bh3-  
68 BH3+ boron trihydride cation bh3+  
69 AlH3 aluminum trihydride alh3  
70 AlH3- aluminum trihydride anion alh3-  
71 AlH3+ aluminum trihydride cation alh3+  
72 ScH3 Scandium trihydride sch3  
73 GaH3 Gallium trihydride gah3  
74 BH4 borohydride bh4  
75 AlH4- Aluminum tetrahydride anion alh4-  
76 C- Carbon atom anion c-  
77 C+ Carbon atom cation c+  
78 Si Silicon atom si  
79 Si- Silicon atom anion si-  
80 Si+ Silicon atom cation si+  
81 Ti Titanium atom ti  
82 Ti- Titanium atom anion ti-  
83 Ti+ Titanium atom cation ti+  
84 Ge Germanium atom ge  
85 Ge- Germanium anion ge-  
86 Ge+ Germanium cation ge+  
87 Sn Tin atom sn  
88 Sn+ Tin cation sn+  
89 SiH Silylidyne sih  
90 SiH- silicon monohydride anion sih-  
91 SiH+ silicon monohydride cation sih+  
92 GeH germylidene geh  
93 GeH+ Germaniun monohyrdide cation geh+  
94 CH2- methylene anion ch2-  
95 CH2+ methylene cation ch2+  
96 SiH2 silicon dihydride sih2  
97 SiH2- silicon dihydride anion sih2-  
98 SiH2+ silicon dihydride cation sih2+  
99 GeH2 germylene geh2  
100 GeH2- germylene anion geh2-  
101 CH3+ methyl cation ch3+  
102 SiH3 Silyl radical sih3  
103 SiH3- Silyl anion sih3-  
104 SiH3+ Silyl cation sih3+  
105 GeH3 Germyl radical geh3  
106 GeH3+ germyl cation geh3+  
107 CD4 methane-d4 cd4  
108 CH2D2 methane-d2 ch2d2  
109 CH3D methane-d ch3d  
110 CH4- Methane anion ch4-  
111 CH4+ Methane cation ch4+  
112 CHD3 methane-d3 chd3  
113 SiH2D2 silane-d2 sih2d2  
114 SiH4 Silane sih4  
115 SiH4+ Silane cation sih4+  
116 GeH4 Germane geh4  
117 SnH4 Stannane snh4  
118 SiH5+ Silane, protonated sih5+  
119 N Nitrogen atom n  
120 N- Nitrogen atom anion n-  
121 N+ Nitrogen atom cation n+  
122 P Phosphorus atom p  
123 P- Phosphorus atom anion p-  
124 P+ Phosphorus atom cation p+  
125 V Vanadium atom v  
126 V+ Vanadium atom cation v+  
127 As Arsenic atomic as  
128 As- Arsenic anion as-  
129 As+ Arsenic cation as+  
130 Sb Antimony atom sb  
131 PH phosphorus monohydride ph  
132 PH- phosphorus monohydride anion ph-  
133 PH+ phosphorus monohydride cation ph+  
134 AsH Arsenic monohydride ash  
135 AsH+ Arsenic monohydride cation ash+  
136 SbH Antimony monohydride sbh  
137 NH2- amino anion nh2-  
138 NH2+ Amino cation nh2+  
139 PH2 Phosphino radical ph2  
140 PH2- Phosphino anion ph2-  
141 PH2+ Phosphino cation ph2+  
142 AsH2 Arsenic dihydride ash2  
143 AsH2+ Arsenic dihydride cation ash2+  
144 NH3- Ammonia anion nh3-  
145 PH3 Phosphine ph3  
146 PH3+ Phosphine cation ph3+  
147 AsH3 Arsine ash3  
148 AsH3+ Arsine cation ash3+  
149 SbH3 Stibine sbh3  
150 AsH4+ Arsonium ash4+  
151 NH4 Ammonium radical nh4  
152 PH4 Phosphoranyl radical ph4  
153 PH4+ phosphonium cation ph4+  
154 O- Oxygen atom anion o-  
155 O+ Oxygen atom cation o+  
156 S Sulfur atom s  
157 S- Sulfur atom anion s-  
158 S+ Sulfur atom cation s+  
159 Cr Chromium atom cr  
160 Se Selenium atom se  
161 Se- Selenium atom anion se-  
162 Se+ Selenium atom cation se+  
163 Te Tellurium atom te  
164 Te+ Tellurium atom cation te+  
165 DS Mercapto-d ds  
166 HS Mercapto radical hs  
167 HS- mercapto anion sh-  
168 HS+ sulfur monohydride cation sh+  
169 CrH Chromium hydride crh  
170 CrH+ Chromium hydride cation crh+  
171 HSe Selenium monohydride hse  
172 HSe- selenium monohydride anion hse-  
173 HSe+ selenium monohydride cation hse+  
174 TeH Telluryl radical teh  
175 H2O- water anion h2o-  
176 H2O+ water cation h2o+  
177 D2S Hydrogen sulfide-d2 d2s  
178 H2S Hydrogen sulfide h2s  
179 H2S- Hydrogen sulfide anion h2s-  
180 H2S+ Hydrogen sulfide cation h2s+  
181 H2Se Hydrogen selenide h2se  
182 H2Se+ Hydrogen selenide cation h2se+  
183 H2Te Hydrogen Telluride h2te  
184 H3S+ Sulfonium cation h3s+  
185 H3Se+ Hydrogen Selenide, protonated h3se+  
186 F- Fluorine atom anion f-  
187 F+ Fluorine atom cation f+  
188 Cl Chlorine atom cl  
189 Cl- Chlorine atom anion cl-  
190 Cl+ Chlorine atom cation cl+  
191 Mn Manganese atom mn  
192 Br Bromine atom br  
193 Br- Bromine atom anion br-  
194 Br+ Bromine atom cation br+  
195 I Iodine atom iodine  
196 I- Iodine atom anion iodine-  
197 I+ Iodine atom cation iodine+  
198 DCl Hydrochloric acid-d dcl  
199 HCl Hydrogen chloride hcl  
200 HCl- hydrogen chloride anion hcl-  
201 HCl+ hydrogen chloride cation hcl+  
202 HBr hydrogen bromide hbr  
203 HBr- hydrogen bromide anion hbr-  
204 HBr+ hydrogen bromide cation hbr+  
205 HI Hydrogen iodide hi  
206 HI+ Hydrogen iodide cation hi+  
207 H2Cl+ dihydrogen monochloride cation h2cl+  
208 H2Br+ protonated hydrogen bromide h2br+  
209 H2I+ Iodonium h2i+  
210 Ne- Neon atom anion ne-  
211 Ne+ Neon atom cation ne+  
212 Ar Argon atom ar  
213 Ar- Argon atom anion ar-  
214 Ar+ Argon atom cation ar+  
215 Fe Iron atom fe  
216 Kr Krypton atom kr  
217 Kr+ Krypton cation kr+  
218 Xe Xenon atom xe  
219 HeLi+ Helium Lithium cation heli+  
220 NeH neon hydrogen neh  
221 ArH+ Argon hydride cation arh+  
222 KrH+ Protonated Krypton krh+  
223 XeH+ Xenon, protonated xeh+  
224 H2Ar H2 Ar dimer h2ar  
225 Co Cobalt atom cobalt  
226 Ni Nickel atom ni  
227 Li2- lithium diatomic anion li2-  
228 NaLi- lithium sodium anion lina-  
229 NaLi+ lithium sodium cation lina+  
230 LiK Lithium Potassium lik  
231 Na2- sodium diatomic anion na2-  
232 Na2+ sodium diatomic cation na2+  
233 NaK Sodium Potassium nak  
234 NaK+ Sodium Potassium diatomic cation nak+  
235 K2 Potassium diatomic k2  
236 Cu2 Copper diatomic cu2  
237 LiBe Lithium Beryllium libe  
238 LiMg Lithium magnesium limg  
239 NaBe Sodium Beryllium nabe  
240 NaMg Sodium Magnesium namg  
241 Be2 Beryllium diatomic be2  
242 Be2- Beryllium diatomic anion be2-  
243 BeMg Beryllium Magnesium bemg  
244 Mg2- magnesium diatomic anion mg2-  
245 Mg2+ magnesium diatomic cation mg2+  
246 Ca2 Calcium diatomic ca2  
247 LiB Lithium boride lib  
248 LiAl Lithium Aluminum lial  
249 NaAl Sodium aluminum naal  
250 BeB Beryllium monoboride beb  
251 B2 Boron diatomic b2  
252 B2- Boron diatomic anion b2-  
253 B2+ Boron diatomic cation b2+  
254 BAl Boron Aluminum bal  
255 Al2 Aluminum diatomic al2  
256 Al2- aluminum diatomic anion al2-  
257 Al2+ aluminum diatomic cation al2+  
258 BGa Boron Gallium bga  
259 AlGa Aluminum Gallium alga  
260 Ga2 Gallium diatomic ga2  
261 HBBH Diborane(2) hbbh  
262 LiBH4 Lithium borohydride libh4  
263 B2H4 Diborane(4) D2d b2h4  
264 HBHHBH Diborane(4) C2V hbhhbh  
265 B2H6+ Diborane cation b2h6  
266 Al2H6 dialane al2h6  
267 Ga2H6 digallane ga2h6  
268 LiC Lithium Carbide lic  
269 BeC Beryllium Carbide bec  
270 CaC Calcium monocarbide cac  
271 BC boron monocarbide bc  
272 BC- boron monocarbide anion bc-  
273 BC+ boron monocarbide cation bc+  
274 AlC Aluminum carbide alc  
275 BSi Boron silicide bsi  
276 C2+ carbon diatomic cation c2+  
277 SiC silicon monocarbide sic  
278 SiC- silicon monocarbide anion sic-  
279 SiC+ silicon monocarbide cation sic+  
280 Si2 Silicon diatomic si2  
281 Si2- silcon diatomic anion si2-  
282 Si2+ silcon diatomic cation si2+  
283 GeC Germanium monocarbide gec  
284 SiGe Silicon Germanium sige  
285 Ge2 Germanium diatomic ge2  
286 C2H- Ethynyl anion c2h-  
287 C2H+ Ethynyl cation c2h+  
288 ZnCH2 Zinc methylene znch2  
289 H2CC- vinylidene anion h2cc-  
290 HCCH- acetylene anion c2h2-  
291 Si2H2 disilyne si2h2  
292 CH3Li methyl lithium ch3li  
293 CuCH3 monomethyl copper cuch3  
294 ZnCH3 Zinc monomethyl znch3  
295 CH2BH methyleneborane ch2bh  
296 C2H3- vinyl anion c2h3-  
297 C2H3+ vinyl cation c2h3+  
298 C2H4- Ethylene anion c2h4-  
299 C2H4+ Ethylene cation c2h4+  
300 CH3CH methylmethylene ch3ch  
301 CH2SiH2 silaethylene ch2sih2  
302 Si2H4 Disilene si2h4  
303 CH3BH2 methylborane ch3bh2  
304 C2H5- Ethyl anion c2h5-  
305 C2H5+ Ethyl cation c2h5+  
306 C2H6+ ethane cation c2h6+  
307 CH3SiH3 methyl silane ch3sih3  
308 Si2H6 disilane si2h6  
309 GeH3CH3 methyl germane geh3ch3  
310 C2H7+ Ethane, protonated c2h7+  
311 LiN Lithium Nitride lin  
312 LiN+ Lithium Nitride cation lin+  
313 LiP Lithium monophosphide lip  
314 BeN Beryllium mononitride ben  
315 BeN- Beryllium mononitride anion ben-  
316 BeN+ Beryllium mononitride cation ben+  
317 MgN Magnesium Nitride mgn  
318 AlN- aluminum mononitride anion aln-  
319 AlN+ aluminum mononitride cation aln+  
320 BP Boron monophosphide bp  
321 AlP Aluminum monophosphide alp  
322 GaN Gallium mononitride gan  
323 GaP Gallium monophosphide gap  
324 GaAs Gallium arsenide gaas  
325 BN+ boron nitride cation bn+  
326 AlN Aluminum nitride aln  
327 CP Carbon monophosphide cp  
328 CP- carbon monophosphide anion cp-  
329 CP+ carbon monophosphide cation cp+  
330 SiN Silicon nitride sin  
331 SiN- silicon mononitride anion sin-  
332 SiN+ silicon mononitride cation sin+  
333 SiP Silicon monophosphide sip  
334 SiP- Silicon monophosphide anion sip-  
335 SiP+ Silicon monophosphide cation sip+  
336 TiN Titanium mononitride tin  
337 PN Phosphorus mononitride pn  
338 PN- phosphorus nitride anion pn-  
339 PN+ phosphorus nitride cation pn+  
340 P2 Phosphorus diatomic p2  
341 P2- phosphorus diatomic anion p2-  
342 P2+ phosphorus diatomic cation p2+  
343 AsN Arsenic mononitride asn  
344 AsP Arsenic monophosphide asp  
345 SbN Antimony nitride sbn  
346 As2 Arsenic diatomic as2  
347 HNB hydrogen nitrogen boron hnb  
348 HCN- Hydrogen cyanide anion hcn-  
349 HCN+ hydrogen cyanide cation hcn+  
350 HNC+ hydrogen isocyanide cation hnc+  
351 HCP Phosphaethyne hcp  
352 HCP+ Phosphaethyne cation hcp+  
353 NNH+ Dinitrogen monohydride cation nnh+  
354 HPO Hydrogen phosphorus oxide hpo  
355 HPO+ Hydrogen phosphorus oxide cation hpo+  
356 LiNH2 lithium amide linh2  
357 HBNH Boranimine hbnh  
358 CNH2 Aminomethylidyne radical cnh2  
359 CNH2+ N-protonated hydrogen isocyanide cnh2+  
360 H2CN Dihydrogen cyanide radical h2cn  
361 H2CN+ hydrocyanonium cation h2cn+  
362 HCNH methyleneazane hcnh  
363 HCNH+ N-protonated HCN hcnh+  
364 H2NN Isodiazene h2nn  
365 N2H2 (Z)-Diazene n2h2z  
366 N2H2+ trans-diazene cation n2h2+  
367 CH2NH+ Methanimine cation ch2nh+  
368 CHNH2 aminomethylene chnh2  
369 CHNH2+ Aminocarbene cation chnh2+  
370 CH2PH Phosphaethene ch3p  
371 BH2NH2 Boranamine bh2nh2  
372 N2H4+ hydrazine cation n2h4+  
373 P2H4 Diphosphine p2h4  
374 CH3NH2+ methyl amine cation ch3nh2+  
375 CH3PH2 Methyl phosphine ch3ph2  
376 SiH3NH2 Silane, amino sih3nh2  
377 N2H5+ protonated hydrazine n2h5+  
378 BH3PH3 borane phosphine bh3ph3  
379 BH3NH3 borane ammonia bh3nh3  
380 CH3NH3 methyl ammonium radical ch3nh3  
381 CH3NH3+ protonated methylamine ch3nh3+  
382 CH3PH3+ methyl phosphine, protonated ch3ph3+  
383 NH3NH3 Ammonia Dimer nh3nh3  
384 N2H7+ ammonia ammonium dimer n2h7+  
385 LiO- lithium oxide anion lio-  
386 LiO+ lithium oxide cation lio+  
387 LiS Lithium monosulfide lis  
388 LiS+ Lithium sulfide cation lis+  
389 NaO- sodium oxide anion nao-  
390 NaO+ sodium oxide cation nao+  
391 KO Potassium monoxide ko  
392 KO+ Potassium monoxide cation ko+  
393 NaS Sodium sulfide nas  
394 CuO Copper Monoxide cuo  
395 LiSe Lithium monoselenide lise  
396 BeO- Beryllium monoxide anion beo-  
397 BeO+ Beryllium monoxide cation beo+  
398 BeS beryllium sulfide bes  
399 MgO- magnesium oxide anion mgo-  
400 MgO+ magnesium oxide cation mgo+  
401 CaO Calcium monoxide cao  
402 MgS magnesium sulfide mgs  
403 MgS- magnesium sulfide anion mgs-  
404 MgS+ magnesium sulfide cation mgs+  
405 CaS Calcium sulfide cas  
406 ZnO zinc monoxide zno  
407 ZnS Zinc sulfide zns  
408 BeS- Beryllium monosulfide anion bes-  
409 BeS+ Beryllium monosulfide cation bes+  
410 BO- boron monoxide anion bo-  
411 AlO Aluminum monoxide alo  
412 AlO- Aluminum monoxide anion alo-  
413 AlO+ aluminum monoxide cation alo+  
414 BS boron sulfide bs  
415 BS- boron monosulfide anion bs-  
416 BS+ boron monosulfide cation bs+  
417 AlS Aluminum sulfide als  
418 AlS- aluminum monosulfide anion als-  
419 AlS+ aluminum monosulfide cation als+  
420 ScO Scandium monoxide sco  
421 GaO Gallium monoxide gao  
422 GaS Gallium monosulfide gas  
423 CO+ carbon monoxide cation co+  
424 CS carbon monosulfide cs  
425 CS- carbon monosulfide anion cs-  
426 CS+ carbon monosulfide cation cs+  
427 SiO Silicon monoxide sio  
428 SiO- silicon monoxide anion sio-  
429 SiO+ silicon monoxide cation sio+  
430 SiS silicon monosulfide sis  
431 SiS- silicon monosulfide anion sis-  
432 SiS+ silicon monosulfide cation sis+  
433 TiO Titanium monoxide tio  
434 CSe Carbon monoselenide cse  
435 CSe- Carbon monoselenide anion cse-  
436 CSe+ Carbon monoselenide cation cse+  
437 GeO Germanium monoxide geo  
438 GeO+ Germanium monoxide cation geo+  
439 GeS Germanium monosulfide ges  
440 SiSe Silicon Monoselenide sise  
441 SiSe+ Silicon Monoselenide cation sise+  
442 GeSe Germanium monoselenide gese  
443 NS Mononitrogen monosulfide ns  
444 NS- nitrogen sulfide anion ns-  
445 NS+ nitrogen sulfide cation ns+  
446 PO Phosphorus monoxide po  
447 PO- phosphorus monoxide anion po-  
448 PO+ phosphorus monoxide cation po+  
449 PS phosphorus sulfide ps  
450 PS- phosphorus monosulfide anion ps-  
451 PS+ phosphorus monosulfide cation ps+  
452 VO Vanadium monoxide vo  
453 AsO Arsenic monoxide aso  
454 NSe Nitrogen monoselenide nse  
455 AsS Arsenic monosulfide ass  
456 PSe Phosphorus monoselenide pse  
457 AsSe Arsenic monoselenide asse  
458 O2-- dioxygen dianion o2--  
459 SO Sulfur monoxide so  
460 SO- sulfur monoxide anion so-  
461 SO+ sulfur monoxide cation so+  
462 S2 Sulfur diatomic s2  
463 S2- sulfur diatomic anion s2-  
464 S2+ sulfur diatomic cation s2+  
465 SeO Selenium monoxide seo  
466 SeO- selenium monoxide anion seo-  
467 SeO+ selenium monoxide cation seo+  
468 SeS Selenium monosulfide ses  
469 SeS- selenium monosulfide anion ses-  
470 SeS+ selenium monosulfide cation ses+  
471 TeO Tellurium monoxide teo  
472 Se2 Selenium diatomic se2  
473 Se2- selenium diatomic anion se2-  
474 Se2+ selenium diatomic cation se2+  
475 Te2 Tellurium diatomic te2  
476 KOH Potassium hydroxide koh  
477 CaOH Calcium monohydroxide caoh  
478 HBS hydrogen boron sulfide hbs  
479 COH Hydroxymethylidyne coh  
480 COH+ Carbon Monoxide, protonated coh+  
481 HCO- formyl anion hco-  
482 HCO+ Formyl cation hco+  
483 HCS Thioformyl radical hcs  
484 HCS- Thioformyl anion hcs-  
485 HCS+ Thioformyl cation hcs+  
486 HNO- Nitrosyl hydride anion hno-  
487 HNO+ Nitrosyl hydride cation hno+  
488 NOH Hydroxyimidogen noh  
489 NOH+ O-protonated nitric oxide noh+  
490 HNS Sulfur imide hns  
491 HNS- Sulfur imide anion hns-  
492 HO2- Hydroperoxy anion ho2-  
493 HO2+ Hydroperoxy cation ho2+  
494 HSO+ Sulfur Monoxide, S-protonated HSO+  
495 SOH Sulfur Hydroxide soh  
496 SOH+ Sulfur Monoxide, protonated soh+  
497 HS2 Thiosulfeno radical hs2  
498 H2CO- formaldehyde anion h2co-  
499 H2CO+ formaldehyde cation h2co+  
500 HOCH hydroxycarbene hoch  
501 H2CS Thioformaldehyde h2cs  
502 H2CS- thioformaldehyde anion h2cs-  
503 H2CS+ thioformaldehyde cation h2cs+  
504 H2CSe Selenoformaldehyde h2cse  
505 H2NO nitroxide h2no  
506 H2O2+ Hydrogen peroxide cation h2o2+  
507 H2OO water oxide h2oo  
508 HOSH hydrogen thioperoxide hosh  
509 H2S2 Disulfane h2s2  
510 H2S2+ hydrogen disulfide cation h2s2+  
511 H2Se2 hydrogen diselenide h2se2  
512 CH3O- methoxy anion ch3o-  
513 CH3O+ Methoxy cation ch3o+  
514 CH3S thiomethoxy ch3s  
515 H2CSH+ Thioformaldehyde, protonated h2csh+  
516 NH2OH+ Hydroxylamine cation nh2oh+  
517 NH3O Ammonia Oxide nh3o  
518 H2POH Phosphinous acid h2poh  
519 H3PO Phosphine oxide h3po  
520 NH2SH Thiohydroxylamine nh2sh  
521 NH3S sulfidoazane nh3s  
522 H3O2+ hydrogen peroxide, protonated h3o2+  
523 CH3OH- Methyl alcohol anion ch3oh-  
524 CH3OH+ Methyl alcohol cation ch3oh+  
525 CH3SH Methanethiol ch3sh  
526 CH3SH+ Methanethiol cation ch3sh+  
527 SiH3OH silanol sih3oh  
528 CH3SeH Methane selenol ch3seh  
529 NH2OH2+ protonated hydroxylamine nh2oh2+  
530 NH3OH+ N-protonated hydroxylamine nh3oh+  
531 H2OH2O water dimer h2oh2o  
532 CH3OH2+ Methanol, protonated ch3oh2+  
533 CH3SH2+ protonated methylsulfide ch3sh2+  
534 H2ONH3 Water Ammonia Dimer h2onh3  
535 H5O2+ Dihydroxonium ion h5o2+  
536 LiCl lithium chloride licl  
537 LiCl- lithium chloride anion licl-  
538 LiCl+ lithium chloride cation licl+  
539 NaF- sodium fluoride anion naf-  
540 NaF+ sodium fluoride cation naf+  
541 KF Potassium Fluoride kf  
542 NaCl Sodium Chloride nacl  
543 NaCl- sodium chloride anion nacl-  
544 NaCl+ sodium chloride cation nacl+  
545 KCl Potassium Chloride kcl  
546 CuF Copper monofluoride cuf  
547 LiBr Lithium Bromide libr  
548 LiBr- lithium bromide anion libr-  
549 LiBr+ lithium bromide cation libr+  
550 CuCl Copper monochloride cucl  
551 NaBr Sodium Bromide nabr  
552 NaBr- sodium bromide anion nabr-  
553 NaBr+ sodium bromide cation nabr+  
554 KBr Potassium Bromide kbr  
555 LiI Lithium Iodide lii  
556 NaI Sodium Iodide nai  
557 KI Potassium Iodide ki  
558 LiF- lithium fluoride anion lif-  
559 LiF+ lithium fluoride cation lif+  
560 BeF- Beryllium monofluoride anion bef-  
561 BeF+ Beryllium monofluoride cation bef+  
562 BeCl beryllium monochloride becl  
563 MgF- magnesium fluoride anion mgf-  
564 MgF+ magnesium fluoride cation mgf+  
565 CaF Calcium monofluoride caf  
566 MgCl magnesium monochloride mgcl  
567 MgCl- magnesium monochloride anion mgcl-  
568 MgCl+ magnesium monochloride cation mgcl+  
569 CaCl calcium monochloride cacl  
570 TiCl Titanium Monochloride ticl  
571 ZnF Zinc monofluoride znf  
572 ZnF- Zinc monofluoride anion znf-  
573 ZnF+ Zinc monofluoride cation znf+  
574 ZnCl Zinc monochloride zncl  
575 CaBr Calcium monobromide cabr  
576 BeCl- beryllium monochloride anion becl-  
577 BeCl+ beryllium monochloride cation becl+  
578 BF- Boron monofluoride anion bf-  
579 BF+ Boron monofluoride cation bf+  
580 AlF Aluminum monofluoride alf  
581 AlF- Aluminum monofluoride anion alf-  
582 AlF+ Aluminum monofluoride cation alf+  
583 BCl boron monochloride bcl  
584 BCl- boron monochloride anion bcl-  
585 BCl+ boron monochloride cation bcl+  
586 AlCl Aluminum monochloride alcl  
587 AlCl- aluminum monochloride anion alcl-  
588 AlCl+ aluminum monochloride cation alcl+  
589 ScF Scandium monofluoride scf  
590 BBr Boron monobromide bbr  
591 GaF Gallium monofluoride gaf  
592 GaF+ Gallium monofluoride cation gaf+  
593 AlBr Aluminum monobromide albr  
594 GaCl Gallium monochloride gacl  
595 GaCl+ Gallium monochloride cation gacl+  
596 AlI Aluminum monoiodide ali  
597 GaBr Gallium monobromide gabr  
598 CF- carbon monofluoride anion cf-  
599 CCl carbon monochloride ccl  
600 CCl- carbon monochloride anion ccl-  
601 CCl+ carbon monochloride cation ccl+  
602 SiF silicon monofluoride sif  
603 SiF- silicon monofluoride anion sif-  
604 SiF+ silicon monofluoride cation sif+  
605 SiCl Clorosilylidyne sicl  
606 SiCl- silicon monochloride anion sicl-  
607 SiCl+ silicon monochloride cation sicl+  
608 CBr Carbon monobromide cbr  
609 GeF Germanium monofluoride gef  
610 GeF+ Germanium monofluoride cation gef+  
611 GeCl Germanium monochloride gecl  
612 GeCl+ Germanium monochloride cation gecl+  
613 SiBr Silicon monobromide sibr  
614 SiBr+ Silicon monobromide cation sibr+  
615 NF- nitrogen monofluorine anion nf-  
616 NF+ nitrogen monofluoirde cation nf+  
617 NCl nitrogen monochloride ncl  
618 NCl- nitrogen monochloride anion ncl-  
619 NCl+ nitrogen monochloride cation ncl+  
620 PF phosphorus monofluoride pf  
621 PF- phosphorus monofluoride anion pf-  
622 PF+ phosphorus monofluoride cation pf+  
623 PCl phosphorus chloride pcl  
624 PCl- phosphorus monochloride anion pcl-  
625 PCl+ phosphorus monochloride cation pcl+  
626 AsF Arsenic monofluoride asf  
627 NBr nitrogen monobromide nbr  
628 AsCl Arsenic monochloride ascl  
629 PBr Phosphorus monobromide pbr  
630 SbF Antimony monofluoride sbf  
631 SbCl Antimony monochloride sbcl  
632 ClO Monochlorine monoxide clo  
633 ClO- chlorine monoxide anion clo-  
634 ClO+ chlorine monoxide cation clo+  
635 SF Monosulfur monofluoride sf  
636 SF- sulfur monofluoride anion sf-  
637 SF+ sulfur monofluoride cation sf+  
638 SCl sulfur monochloride scl  
639 SCl- sulfur monochloride anion scl-  
640 SCl+ sulfur monochloride cation scl+  
641 BrO Bromine monoxide bro  
642 BrO- Bromine monoxide anion bro-  
643 BrO+ Bromine monoxide cation bro+  
644 SeF Selenium monofluoride sef  
645 SBr Sulfur monobromide radical sbr  
646 SBr+ Sulfur monobromide cation sbr+  
647 SeCl Selenium monochloride secl  
648 IO Iodine monoxide io  
649 SeBr Selenium monobromide sebr  
650 BrCl Bromine monochloride brcl  
651 ClF Chlorine monofluoride clf  
652 ClF- clorine monofluoride anion clf-  
653 ClF+ clorine monofluoride cation clf+  
654 Cl2 Chlorine diatomic cl2  
655 Cl2- chlorine diatomic anion cl2-  
656 Cl2+ chlorine diatomic cation cl2+  
657 BrF Bromine monofluoride brf  
658 BrF- bromine fluoride anion brf-  
659 BrF+ bromine fluoride cation brf+  
660 BrCl- bromine chloride anion brcl-  
661 BrCl+ bromine chloride cation brcl+  
662 IF Iodine monofluoride if  
663 Br2 Bromine diatomic br2  
664 Br2- bromine diatomic anion br2-  
665 Br2+ bromine diatomic cation br2+  
666 ICl Iodine monochloride icl  
667 IBr Iodine monobromide ibr  
668 I2 Iodine diatomic i2  
669 I2+ Iodine diatomic cation i2+  
670 HCCl Chloromethylene hccl  
671 HSiF fluorosilylene hsif  
672 HSiCl Chlorosilylene hsicl  
673 HSiBr monobromosilylene hsibr  
674 CHBr bromomethylene chbr  
675 DOCl Hypochlorous acid-d docl  
676 HOCl hypochlorous acid hocl  
677 HOCl+ hypochlorous acid cation hocl+  
678 HOBr Hypobromous acid hobr  
679 HOBr+ Hypobromous acid cation hobr+  
680 HOI Hypoiodous acid hoi  
681 F2H+ Fluorine, protonated f2h+  
682 FHF Hydrogen difluoride fhf  
683 FHF- Hydrogen difluoride anion fhf-  
684 ClFH+ Chlorine fluoride, F-protonated clfh+  
685 FClH+ Chlorine fluoride, Cl-protonated fclh+  
686 Cl2H+ Chlorine, protonated cl2h+  
687 CH2Br bromomethyl radical ch2br  
688 CH2F fluoromethyl radical ch2f  
689 CH2F+ fluoromethyl cation ch2f+  
690 CH2Cl+ chloromethyl cation ch2cl+  
691 CH2Cl chloromethyl radical ch2cl  
692 NH2F monofluoroamine nh2f  
693 NH2Cl chloramine nh2cl  
694 CH3F+ methyl fluoride cation ch3f+  
695 CD3F methylfluoride-d3 cd3f  
696 CD3Cl methyl chloride d3 cd3cl  
697 CH3Cl Methyl chloride ch3cl  
698 CH3Cl+ Methyl chloride cation ch3cl+  
699 SiH3F monofluorosilane sih3f  
700 SiH3Cl chlorosilane sih3cl  
701 CH3Br methyl bromide ch3br  
702 GeH3F monofluorogermane geh3f  
703 GeH3Cl monochlorogermane geh3cl  
704 SiH3Br bromosilane sih3br  
705 CH3I methyl iodide ch3i  
706 SiH3I Silyl Iodide sih3i  
707 NH3Cl+ protonated monochloroammonia nh3cl+  
708 CH3ClH+ methyl chloride, protonated ch3clh+  
709 NH4Cl Ammonium chloride nh4cl  
710 LiNe+ Lithium Neon cation line+  
711 Ne2 Neon diatomic ne2  
712 Ne2+ Neon diatomic cation ne2+  
713 Ar2 Argon diatomic ar2  
714 Ar2+ Argon diatomic cation ar2+  
715 Li3 Lithium trimer li3  
716 Li3+ Lithium trimer cation li3+  
717 C3+ carbon trimer cation c3+  
718 SiC2 Silicon dicarbide sic2  
719 C3H3 cyclopropenyl radical cpr  
720 C3H3- Propargyl anion c3h3-  
721 C3H3+ cyclopropenyl cation cpr+  
722 C3H3+ Propargyl cation c3h3+  
723 C3H4 cyclopropene cprop  
724 C3H5 Allyl radical allyl  
725 C3H5+ Allyl cation allyl+  
726 CH3CHCH 1-propenyl radical ch3chch  
727 Zn(CH3)2 dimethyl zinc dmz  
728 C3H7+ cyclopropane, protonated c3h7+  
729 CH3CHCH3 Isopropyl radical isopropyl  
730 CH3CHCH3+ Isopropyl cation prop2yl+  
731 SiH2(CH3)2 dimethylsilane dms  
732 Si3H8 trisilane si3h8  
733 LiCN lithium cyanide licn  
734 NaCN Sodium Cyanide nacn  
735 KCN Potassium cyanide kcn  
736 CuCN Copper cyanide cucn  
737 ZnCN Zinc monocyanide zncn  
738 ZnNC Zinc isocyanide znnc  
739 AlCN Aluminum monocyanide alcn  
740 AlNC Aluminum isocyanide alnc  
741 CN2 3H-Diazirin-3-ylidene cn2  
742 CNN Diazocarbene cnn  
743 NCN Cyanoimidogen ncn  
744 N3 azide radical n3  
745 N3- azide anion n3-  
746 N3+ azide cation n3+  
747 HCCN cyanomethylene hccn  
748 HCNN diazomethyl radical hcnn  
749 HN3+ Hydrazoic acid cation hn3+  
750 HNCNH diiminomethane hncnh  
751 CH2N2 diazirine ch2n2  
752 CH2NN diazomethane ch2nn  
753 NH2CN cyanamide cyanamide  
754 HNNNH+ 1,2-Triazadienium n2h3+  
755 NH2NN+ hydrazoic acid, protonated nh2nn+  
756 CH3CN- acetonitrile anion ch3cn-  
757 CH3CN+ Acetonitrile cation ch3cn+  
758 CHNCH2 2H-Azirine c157164  
759 CHNHCH 1H-Azirine chnhch  
760 H2CCNH Ethenimine ch2cnh  
761 H2CNCH methyleneaminomethylene ch2nch  
762 HCCNH2 Ethynamine hccnh2  
763 HCNCH2+ 2H-Azirine cation hcnch2+  
764 HNCNH2+ diiminomethane, protonated hncnh2+  
765 NCNH3+ Cyanamide, protonated ncnh3+  
766 NH2CNH+ cyanamide, cn protonated nh2cnh+  
767 NH3CN+ cyanamide, amine protonated nh3cn+  
768 CH2CHNH vinylazine ch2chnh  
769 CH3CHN methylmethaniminyl radical ch3chn  
770 CH2CHNH2 aminoethene aminoethene  
771 CH2NCH3 N-methylmethanimine nmm  
772 CH3CHNH ethanimine ethanimine  
773 NH2BHNH2 diaminoborane nh2bhnh2  
774 C2H5NH+ Protonated Aziridine c2h5nh+  
775 C2H6N+ aziridine, protonated c2h6n+  
776 NH2CH2NH2 diaminomethane nh2ch2nh2  
777 CH3PHCH3 dimethylphosphine ch3phch3  
778 NH2CH2NH3+ diaminoethane, protonated pdam  
779 (CH3)2NH2+ dimethylammonium cation dmam  
780 CH3CH2NH3+ ethylamine, protonated pea  
781 Li2O+ dilithium oxide cation li2o+  
782 Li2S dilithium sulfide li2s  
783 Na2O disodium monoxide na2o  
784 Na2S Sodium sulfide na2s  
785 LiO2 Lithium dioxide lio2  
786 NaO2 Sodium superoxide nao2  
787 CCO Dicarbon monoxide cco  
788 CNO- fulminate cno-  
789 NCO isocyanato radical nco  
790 NCO- cyanate nco-  
791 SCN thiocyanato radical scn  
792 SCN- thiocyanide anion scn-  
793 BO2- Boron dioxide anion bo2-  
794 BO2+ Boron dioxide cation bo2+  
795 N2O- Nitrous oxide anion n2o-  
796 N2O+ Nitrous oxide cation n2o+  
797 NNS Nitrogen sulfide nns  
798 PPO Phosphorus oxide phosphide ppo  
799 CO2- Carbon dioxide anion co2-  
800 CO2+ Carbon dioxide cation co2+  
801 OCS Carbonyl sulfide cos  
802 OCS+ Carbonyl sulfide cation cos+  
803 SiO2 silicon dioxide sio2  
804 CS2 Carbon disulfide cs2  
805 CS2- Carbon disulfide anion cs2-  
806 CS2+ Carbon disulfide cation cs2+  
807 TiO2 Titanium dioxide tio2  
808 SiS2 Silicon disulfide sis2  
809 GeO2 Germanium dioxide geo2  
810 OCSe Carbonyl selenide ocse  
811 SCSe Carbon sulfide selenide scse  
812 GeS2 Germanium disulfide ges2  
813 CSe2 Carbon diselenide cse2  
814 SCTe Carbon sulfide Telluride scte  
815 NO2- Nitrogen dioxide anion no2-  
816 NO2+ Nitrogen dioxide cation no2+  
817 NSO sulfinyl amidogen NSO  
818 PO2 Phosphorus dioxide po2  
819 PO2- Phosphorus dioxide anion po2-  
820 PO2+ Phosphorus dioxide cation po2+  
821 SNO Nitrogen oxide sulfide sno  
822 AsO2 Aresenic dioxide aso2  
823 O3- Ozone anion o3-  
824 O3+ Ozone cation o3+  
825 SO2 Sulfur dioxide so2  
826 SO2- Sulfur dioxide anion so2-  
827 SO2+ Sulfur dioxide cation so2+  
828 SSO Disulfur monoxide sso  
829 S3 Sulfur trimer s3  
830 S3- Sulfur trimer anion s3-  
831 S3+ Sulfur trimer cation s3+  
832 SeO2 Selenium dioxide seo2  
833 SeO2+ Selenium dioxide cation seo2+  
834 TeO2 Tellurium Dioxide teo2  
835 CS2H+ Carbon disulfide, protonated cs2h+  
836 HNCS Isothiocyanic acid hncs  
837 HSCN thiocyanic acid hscn  
838 HNNO nitrosoazane hnno  
839 HNNO+ Nitrous oxide, N-protonated hnno+  
840 NNOH+ Nitrous Oxide, O-protonated nnoh+  
841 HCOO formate neutral radical hcoo  
842 HOCO Hydrocarboxyl radical hoco  
843 HOCO+ Hydrocarboxyl cation hoco+  
844 HNO2+ nitrous acid cation hno2+  
845 O3H+ protonated ozone o3h+  
846 SO2H+ protonated sulfur dioxide so2h+  
847 C2H2O Oxirene oxirene  
848 CH2CO+ Ketene cation ch2co+  
849 HCCOH ethynol hccoh  
850 CH2CS Thioketene ch2cs  
851 Be(OH)2 Beryllium hydroxide beo2h2  
852 Mg(OH)2 Magnesium dihydroxide h2mgo2  
853 NH2NO Nitrosamide nh2no  
854 H2COO Dioxymethyl radical h2coo  
855 H2COO+ dioxymethyl cation h2coo+  
856 H2O3 Hydrogen trioxide h2o3  
857 HSSSH trisulfane hsssh  
858 NaOCH3 Sodium methoxide naoch3  
859 CH2BOH hydroxy(methylene)borane ch2boh  
860 BH3CO Borane carbonyl bh3co  
861 CH3BO Borane, methyloxo- ch3bo  
862 CH2CHO Vinyloxy radical ch2cho  
863 CH2COH+ ketene, protonated ch2coh+  
864 CH3CO- Acetyl anion ch3co-  
865 CH3CO+ acetyl cation ch3co+  
866 CH2NOH formaldoxime ch2noh  
867 CH3NO nitrosomethane ch3no  
868 CNOH3 1,2-oxaziridine cnoh3  
869 HOCHNH hydroxymethylimine hochnh  
870 CHSNH2 thioformamide chsnh2  
871 NHCHSH Methanimidothioic acid nhchsh  
872 CH2OOH CH2OOH radical ch2ooh  
873 CH3OO- methylperoxy anion ch3oo-  
874 CH3OO+ methylperoxy cation ch3oo+  
875 C2H4O+ ethylene oxide cation c2h4o+  
876 CH3CHO+ acetaldehyde cation ch3cho+  
877 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
878 C2H4S Thiirane thiirane  
879 CH2CHSH Ethenethiol ch2chsh  
880 CH3CHS Thioacetaldehyde ch3chs  
881 H2CONH2+ protonated formamide h2conh2+  
882 NH2CHOH+ Formamide, O-protonated nh2choh+  
883 NH3CHO+ Formamide, N-Protonated nh3cho+  
884 CH2(OH)2 methanediol ch2o2h2  
885 CH3OOH Methyl peroxide ch3ooh  
886 CH3SSH Hydrogen methyl disulfide ch3ssh  
887 HSCH2SH Methanedithiol ch4s2  
888 H2OH2CO water formaldehyde dimer h2oh2co  
889 C2H4OH+ ethylene oxide, protonated c2h4oh+  
890 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
891 CH3CH2O Ethoxy radical ethoxy  
892 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
893 CH3CHOH+ acetaldehyde, protonated ch3choh+  
894 CH3OCH2 methoxymethyl radical ch3och2  
895 NH2CH2OH aminomethanol nh2ch2oh  
896 CH3CH2SH ethanethiol etsh  
897 CH3SCH3 Dimethyl sulfide mesme  
898 CH3SCH3+ dimethyl sulfide cation mesme+  
899 CH3SeCH3 dimethylselenide dmse  
900 CH3OHH2O methanol water dimer ch3ohh2o  
901 H2OCH3OH water methanol dimer h2och3oh  
902 CuF2 Copper difluoride cuf2  
903 ZnF2 Zinc difluoride znf2  
904 CNF iso cyanogen fluoride cnf  
905 FCN Cyanogen fluoride fcn  
906 ClCN chlorocyanogen clcn  
907 BrCN Cyanogen bromide brcn  
908 ICN Cyanogen iodide icn  
909 FBO Boron monofluoride monoxide fbo  
910 BeF2 Beryllium fluoride bef2  
911 MgF2 Magnesium fluoride mgf2  
912 BeCl2 Beryllium chloride becl2  
913 MgCl2 Magnesium dichloride mgcl2  
914 CaCl2 Calcium Chloride cacl2  
915 ZnCl2 Zinc dichloride zncl2  
916 BeBr2 Beryllium bromide bebr2  
917 CaBr2 Calcium dibromide cabr2  
918 CaF2 Calcium difluoride caf2  
919 FCO Carbonyl fluoride fco  
920 FCO+ Carbonyl fluoride cation fco+  
921 ClCO carbonyl monochloride clco  
922 BF2 Boron difluoride radical bf2  
923 ClNO Nitrosyl chloride clno  
924 FNS Thionitrosyl fluoride fns  
925 FSN Thiazyl fluoride fsn  
926 OPCl Phosphorus oxychloride opcl  
927 BrNO Nitrosyl bromide brno  
928 INO Nitrosyl iodide ino  
929 CF2- Difluoromethylene anion cf2-  
930 CF2+ Difluoromethylene cation cf2+  
931 CFCl chlorofluoromethylene cfcl  
932 SiF2 Silicon difluoride sif2  
933 SiF2+ Silicon difluoride cation sif2+  
934 CCl2 dichloromethylene ccl2  
935 CCl2- dichloromethylene anion ccl2-  
936 CCl2+ dichloromethylene cation ccl2+  
937 SiCl2 Dichlorosilylene sicl2  
938 GeF2 Germanium difluoride gef2  
939 GeCl2 Germanium dichloride gecl2  
940 CBr2 dibromomethylene cbr2  
941 FOO+ Fluorine dioxide cation foo+  
942 ClOO chloroperoxy radical cloo  
943 ClOO+ chloroperoxy cation cloo+  
944 OClO Chlorine dioxide oclo  
945 OClO- Chlorine dioxide anion oclo-  
946 OClO+ Chlorine dioxide cation oclo+  
947 ClSO Sulfur chloride oxide clso  
948 ClS2 Sulfur chloride cls2  
949 BrOO Bromine dioxide broo  
950 OBrO Bromine dioxide radical obro  
951 NF2+ Difluoroamino cation nf2+  
952 PF2 Phosphorus difluoride pf2  
953 PF2+ Phosphorus difluoride cation pf2+  
954 FClO chlorosyl fluoride fclo  
955 ClOF Chlorine hypofluorite clof  
956 SF2 sulfur difluoride sf2  
957 SF2- sulfur difluoride anion sf2-  
958 SF2+ sulfur difluoride cation sf2+  
959 Cl2O Dichlorine monoxide cl2o  
960 SCl2 Sulfur dichloride scl2  
961 SeF2 Selenium difluoride sef2  
962 BrOCl Bromine hypochlorite brocl  
963 SeCl2 Selenium Dichloride secl2  
964 SBr2 Sulfur dibromide sbr2  
965 SeBr2 Selenium dibromide sebr2  
966 BrOBr Bromine oxide brobr  
967 F3- trifluoride anion f3-  
968 Cl3- trichloride anion cl3-  
969 Br3- tribromide anion br3-  
970 I3- triiodide i3-  
971 SFCl Sulfur chloride fluoride sfcl  
972 HCCF+ fluoroacetylene cation hccf+  
973 HCCCl Chloroacetylene hcccl  
974 HCCBr bromoacetylene hccbr  
975 HFCO+ formyl fluoride cation hfco+  
976 COHCl Formyl chloride cohcl  
977 COHBr Formyl bromide cohbr  
978 BHCl2 Borane, dichloro- bhcl2  
979 CHCl2 dichloromethyl radical chcl2  
980 CHF2 difluoromethyl radical chf2  
981 CHF2+ difluoromethyl cation chf2+  
982 CHFCl Chlorofluoromethyl radical chfcl  
983 CHFCl+ Chlorofluoromethyl cation chfcl+  
984 CHCl2+ dichloromethyl cation chcl2+  
985 CHBr2 dibromomethyl radical chbr2  
986 HOClO Chlorous acid hoclo  
987 NHF2 difluoramine nhf2  
988 NHCl2 dichloroamine nhcl2  
989 CH2FCl fluorochloromethane ch2fcl  
990 SiH2F2 difluorosilane sih2f2  
991 CH2Cl2 Methylene chloride ch2cl2  
992 CH2BrF Methane, bromofluoro- ch2fbr  
993 CH2BrCl Methane, bromochloro- ch2clbr  
994 CH2FI fluoroiodomethane ch2fi  
995 CH2Br2 dibromomethane ch2br2  
996 CH2ClI chloroiodomethane ch2cli  
997 CH2BrI bromoiodomethane ch2bri  
998 CH2I2 Diiodomethane ch2i2  
999 SiH2Cl2 dichlorosilane sih2cl2  
1000 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1001 CH2CHF+ fluoroethene cation ch2chf+  
1002 C2H3Cl Ethene, chloro- ch2chcl  
1003 C2H3Br vinyl bromide c2h3br  
1004 C2H3I Vinyl iodide c2h3i  
1005 CH2FOH fluoromethanol ch2foh  
1006 CH3OCl methyl hypochlorite ch3ocl  
1007 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1008 CHClCH3 1-chloroethyl radical chclch3  
1009 CH3CH2Cl Ethyl chloride c2h5cl  
1010 CH3SiFH2 fluoromethylsilane ch3sifh2  
1011 C2H5Br Ethyl bromide etbr  
1012 C2H5I Ethyl iodide c2h5i  
1013 KrF2 Krypton difluoride krf2  
1014 XeF2 Xenon difluoride xef2  
1015 B4H10 Tetraborane(10) b4h10  
1016 C4+ Carbon tetramer cation c4+  
1017 C4H2+ diacetlyene cation c4h2+  
1018 C4H4 cyclobutadiene cbd  
1019 C4H4 Tetrahedrane c4h4  
1020 CH2CCHCH3 1,2-Butadiene butad12  
1021 CH2CHCHCH2 1,3-Butadiene c106990  
1022 CHCCH2CH3 1-Butyne c107006  
1023 CH3CHCHCH2 methylallyl radical c4h7  
1024 C4H8 methylcyclopropane mcp  
1025 CH2CHCH2CH3 1-Butene bute1  
1026 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1027 B(CH3)3 trimethylborane bme3  
1028 Al(CH3)3 trimethyl aluminum tma  
1029 CH2CH(CH3)2 Isobutyl radical isobutyl  
1030 CH3CHCH2CH3 2-Butyl radical butyl2  
1031 CH3CH(CH3)CH3 Isobutane isobutane  
1032 SiH(CH3)3 trimethylsilane trimsi  
1033 Li3N trilithium nitride li3n  
1034 C2N2+ Cyanogen cation c2n2+  
1035 P4 Phosphorus tetramer p4  
1036 As4 Arsenic tetramer as4  
1037 HCCCN+ Cyanoacetylene cation hcccn+  
1038 H2CNCN cyanamide, methylene ch2ncn  
1039 HNCCNH Ethenediimine hnccnh  
1040 C3H3N+ acrylonitrile cation ch2chcn+  
1041 CH3N3 methyl azide ch3n3  
1042 NH2CCNH2 Diaminoacetylene daa  
1043 NH2CH2CN Aminoacetonitrile aan  
1044 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1045 C2H5CN ethyl cyanide c2h5cn  
1046 CH5N3 Guanidine guanidine  
1047 C4H6 Bicyclo[1.1.0]butane c157335  
1048 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1049 H2NCHCHNH2 diaminoethylene dae  
1050 CH6N3+ guanidinium ch6n3+  
1051 CH7N3 triaminomethane tam  
1052 C3H7N Azetidine azet  
1053 CH3NHNHCH3 dimethyl hydrazine dmh  
1054 NH2CH2CH2CH3 1-Propanamine pram1  
1055 P(CH3)3 trimethylphosphine tmp  
1056 N(SiH3)3 trisilylamine tsa  
1057 As(CH3)3 trimethyl arsine tmas  
1058 (CH3)3NH+ protonated trimethyl amine ptma  
1059 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1060 Li2O2 dilithium dioxide li2o2  
1061 Na2O2 disodium dioxide na2o2  
1062 K2O2 dipotassium dioxide k2o2  
1063 C3O Tricarbon monoxide c3o  
1064 ONNO NO dimer onno  
1065 S2N2 Disulfur dinitride s2n2  
1066 CO3 Carbon trioxide co3  
1067 CS3-- Carbonotrithioate cs3--  
1068 NO3 Nitrogen trioxide no3  
1069 NO3- nitrate anion no3-  
1070 NO3+ nitrogen trioxide cation no3+  
1071 SO3 Sulfur trioxide so3  
1072 SO3- Sulfur trioxide anion so3-  
1073 SO3-- Sulfate dianion so3--  
1074 SO3+ Sulfur trioxide cation so3+  
1075 SeO3 selenium trioxide seo3  
1076 S4 Sulfur tetramer s4  
1077 TeO3 Tellurium trioxide teo3  
1078 HCO3- bicarbonate anion hco3-  
1079 HSO3 Hydroxysulfonyl radical hso3  
1080 NH2NO2 nitramide nh2no2  
1081 C2H2CO cyclopropenone c2h2co  
1082 C3H2O Propadienal c3h2o  
1083 HCCCHO 2-propynal hcccho  
1084 C2H2O2+ Ethanedial cation c2h2o2+  
1085 H2CO3 Carbonic acid h2co3  
1086 H2CS3 thiocarbonic acid h2cs3  
1087 H2NO3+ Nitric Acid, Protonated h2no3+  
1088 H2SO3 Sulfurous acid h2so3  
1089 C2H3NO Nitrosoethylene c2h3no  
1090 CH3NCO methylisocyante ch3nco  
1091 HOCH2CN cyanomethanol hoch2cn  
1092 NH2COOH Carbamic acid nh2cooh  
1093 H3BO3 Boric acid h3bo3  
1094 H3AlO3 Aluminum hydroxide h3alo3  
1095 H3CO3+ carbonic acid, protonated h3co3+  
1096 C3H4O 2-Propyn-1-ol c107197  
1097 C3H4O Methylketene c6004440  
1098 CH2CHCHO Acrolein c3h4o  
1099 NH2CONH2+ Urea cation urea+  
1100 NH2CSNH2 Thiourea thiourea  
1101 C2H4O2 1,3-dioxetane c2h4o2  
1102 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1103 NH3COOH+ protonated Carbamic acid nh3cooh+  
1104 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1105 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1106 HCOOHH2O Formic acid water dimer hcoohh2o  
1107 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1108 CH3COCH2 Acetonyl radical ch3coch2  
1109 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1110 CH3C(OH)=NH Ethaninidic acid eia  
1111 HCONHCH3 N-methylformamide nmfa  
1112 CH3CSNH2 Ethanethioamide ch3csnh2  
1113 CH5N2O+ urea, N-protonated ch4n2o+  
1114 H2NCOHNH2+ urea, protonated ureah+  
1115 C2H5OO ethylperoxy radical c2h5oo  
1116 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1117 C3H5OH Cyclopropanol cproh  
1118 C3H6O 2-Propen-1-ol c107186  
1119 C3H6O Acetone enol enol  
1120 C3H6O Oxetane oxetane  
1121 CH3CH2CHO Propanal propanal  
1122 CH3COCH3- acetone anion ch3coch3-  
1123 C3H6S Thietane thietane  
1124 C3H6S Thiirane, methyl- methiirane  
1125 CH3CSCH3 Thioacetone ch3csch3  
1126 CH3OOCH3 dimethylperoxide dmp  
1127 CH3SOCH3 Dimethyl sulfoxide dmso  
1128 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1129 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1130 CH3COHCH3+ acetone, protonated acetoneh+  
1131 HOCH2CH2NH2 monoethanolamine mea  
1132 CH3CHOHCH3 Isopropyl alcohol isoproh  
1133 C3H7SH 1-Propanethiol prsh  
1134 CH3CHSHCH3 2-Propanethiol isoprsh  
1135 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1136 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1137 Li2F2 Lithium fluoride dimer li2f2  
1138 Na2F2 Sodium Fluoride Dimer na2f2  
1139 Na2Cl2 Disodium dichloride na2cl2  
1140 C2Cl2 dichloroacetylene c2cl2  
1141 C2Cl2+ dichloroacetylene cation c2cl2+  
1142 FNO2 Nitryl fluoride fno2  
1143 FONO Nitrosyl hypofluorite fono  
1144 ClNO2 Nitryl chloride clno2  
1145 ClONO chlorine nitrite clono  
1146 BrONO Bromine nitrite brono  
1147 CF2O+ Carbonic difluoride cation f2co+  
1148 COFCl Carbonic chloride fluoride cofcl  
1149 CCl2O Phosgene cl2co  
1150 Cl2CS Thiophosgene cl2cs  
1151 COBr2 Carbonic dibromide cobr2  
1152 BF3- Borane, trifluoro- anion bf3-  
1153 BF3+ boron trifluoride cation bf3+  
1154 AlF3 Aluminum trifluoride alf3  
1155 BClF2 Chlorodifluoroborane bclf2  
1156 AlF2Cl Aluminum chloride difluoride alclf2  
1157 ScF3 Scandium trifluoride ScF3  
1158 AlFCl2 Aluminum dichloride fluoride alcl2f  
1159 BCl3 Borane, trichloro- bcl3  
1160 BCl3+ Boron Trichloride cation bcl3+  
1161 GaF3 Gallium trifluoride gaf3  
1162 AlCl3 Aluminum trichloride alcl3  
1163 GaCl3 Gallium trichloride gacl3  
1164 BBr3 Boron tribromide bbr3  
1165 AlBr3 Aluminum Bromide albr3  
1166 ClO3 Chlorine trioxide clo3  
1167 ClO3- chlorate anion clo3-  
1168 BrO3- Bromate anion bro3-  
1169 CF3- Trifluoromethyl anion cf3-  
1170 CF3+ Trifluoromethyl cation cf3+  
1171 CF2Cl difluorochloromethyl radical cf2cl  
1172 SiF3 Silicon trifluoride radical sif3  
1173 SiF3+ Silicon trifluoride cation sif3+  
1174 CFCl2 dichlorofluoromethyl radical cfcl2  
1175 CCl3 Trichloromethyl radical ccl3  
1176 CCl3- Trichloromethyl anion ccl3-  
1177 CCl3+ Trichloromethyl cation ccl3+  
1178 SiCl3 trichlorosilyl radical sicl3  
1179 SiCl3+ trichlorosilyl cation sicl3+  
1180 CBr3 tribromomethyl radical cbr3  
1181 FOOF Perfluoroperoxide foof  
1182 ClO2F Chloryl fluoride clo2f  
1183 F2SO Thionyl Fluoride f2so  
1184 ClOOCl Dichlorine dioxide cloocl  
1185 FSSF Difluorodisulfane fssf  
1186 S2F2 Thio-thionyl fluoride s2f2  
1187 SOCl2 thionyl chloride socl2  
1188 SSCl2 Thiothionyl chloride sscl2  
1189 SeOCl2 selenium oxychloride seocl2  
1190 NF3- Nitrogen trifluoride anion nf3-  
1191 NF3+ Nitrogen trifluoride cation nf3+  
1192 PF3 Phosphorus trifluoride pf3  
1193 NCl3 nitrogen trichloride ncl3  
1194 AsF3 Arsenic trifluoride asf3  
1195 PCl3 Phosphorus trichloride pcl3  
1196 SbF3 Antimony Trifluoride sbf3  
1197 AsCl3 Arsenous trichloride ascl3  
1198 SbCl3 Antimony Trichloride sbcl3  
1199 NBr3 Nitrogen Tribromide nbr3  
1200 PBr3 Phosphorus tribromide pbr3  
1201 AsBr3 Arsenic tribromide asbr3  
1202 NI3 Nitrogen triiodide ni3  
1203 PI3 Phosphorus triiodide pi3  
1204 ClSSCl Disulfur dichloride s2cl2  
1205 SF3 Sulfur trifluoride sf3  
1206 ClF3 Chlorine trifluoride clf3  
1207 BrF3 Bromine trifluoride brf3  
1208 IF3 iodone trifluoride if3  
1209 HClO3 Chloric Acid hclo3  
1210 CHF2Cl difluorochloromethane chf2cl  
1211 SiHF3 trifluorosilane sihf3  
1212 CHFCl2 fluorodichloromethane chfcl2  
1213 CDCl3 trichloromethane-d cdcl3  
1214 CHCl3 Chloroform chcl3  
1215 CHBrF2 Methane, bromodifluoro- chbrf2  
1216 SiHCl3 Trichlorosilane sihcl3  
1217 CHFClBr fluorochlorobromomethane chfclbr  
1218 CHBrCl2 Methane, bromodichloro- chbrcl2  
1219 CHF2I difluoroiodomethane chf2i  
1220 CHBr2F dibromofluoromethane chbr2f  
1221 CHFClI fluorochloroiodomethane chfcli  
1222 CHCl2I dichloroiodomethane chcl2i  
1223 CHClBr2 Methane, dibromochloro- chclbr2  
1224 CHBr3 bromoform chbr3  
1225 CHI3 Iodoform chi3  
1226 NF3H+ protonated nitrogen trifluoride nf3h+  
1227 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1228 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1229 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1230 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1231 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1232 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1233 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1234 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1235 C2H2Br2 1,1-dibromoethene c2h2br2  
1236 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1237 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1238 CH2FCHO Fluoroacetaldehyde ch2fcho  
1239 CH2ClCHO chloroacetaldehyde ch2clcho  
1240 CH3COCl Acetyl Chloride ch3cocl  
1241 C2H4F2 1,2-difluoroethane c2h4f2  
1242 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1243 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1244 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1245 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1246 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1247 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1248 CH2CFCH3 2-fluoropropene 2fpro  
1249 CH2CHCH2F Allyl Fluoride allylf  
1250 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1251 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1252 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1253 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1254 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1255 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1256 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1257 CH2FCH2CH3 1-Fluoropropane prf1  
1258 CH3CHFCH3 2-Fluoropropane prf2  
1259 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1260 CH3CHClCH3 Propane, 2-chloro- prcl2  
1261 CH3CH2CH2Br n-propyl bromide prbr  
1262 CH3CHBrCH3 i-propyl bromide iprbr  
1263 C3H9O+ trimethyl oxonium cation c3h9o+  
1264 B5H9 pentaborane9 b5h9  
1265 C5H4 pentatetraene ptrene  
1266 C5H5 cyclopentadienyl radical c5h5  
1267 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1268 C5H6 Cyclopropylacetylene c6746947  
1269 C5H6 Propellane propellane  
1270 C5H7 1,3-pentadienyl radical pdyl  
1271 C5H7 cyclopentenyl radical cpyl  
1272 C5H8 1,2-Butadiene, 3-methyl- c598254  
1273 C5H8 1,2-Pentadiene c591957  
1274 C5H8 1,3-Butadiene, 2-methyl- c78795  
1275 C5H8 1,3-Pentadiene, (Z)- c1574410  
1276 C5H8 1,4-Pentadiene c591935  
1277 C5H8 1-pentyne a1pentyne  
1278 C5H8 2,3-Pentadiene c591968  
1279 C5H8 Bicyclo[1.1.1]pentane bcp  
1280 C5H8 Cyclobutane, methylene- c1120565  
1281 C5H8 Cyclopentene c142290  
1282 C5H8 Ethenylcyclopropane c693867  
1283 CH3CCCH2CH3 2-Pentyne 2pentyne  
1284 C5H10 1-Butene, 2-methyl- c563462  
1285 C5H10 2-Butene, 2-methyl- c513359  
1286 C5H10 2-Pentene, (E)- c646048  
1287 C5H10 2-Pentene, (Z)- c627203  
1288 C5H10 Cyclopentane c287923  
1289 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1290 CH2CHCH2CH2CH3 1-pentene pentene  
1291 C5H11 2-Methylbut-2-yl radical c4348350  
1292 C5H12 Butane, 2-methyl- buta2  
1293 Si(CH3)4 tetramethylsilane tms  
1294 N2O3 Dinitrogen trioxide n2o3  
1295 CH2N4 1H-Tetrazole 1htz  
1296 C3H3N2 imidazolyl radical im  
1297 C3H3N2- imidizolyl anion im-  
1298 C2H3N3 1H-1,2,4-Triazole c288880  
1299 C4H4N pyrrolide radical c4h4n  
1300 C4H4N- pyrrolide anion c4h4n-  
1301 C3H4N2 2H-Imidazole imid2h  
1302 C3H4N2 4H-Imidazole imid4h  
1303 C4H5N (E)-2-Butenenitrile c627269  
1304 C4H5N (Z)-2-Butenenitrile c1190767  
1305 C4H5N 2H-pyrrole pyrrole2  
1306 C4H5N 3H-pyrrole pyrrole3  
1307 CH2CHCH2CN Allylcyanide ch2chch2cn  
1308 C4H6N+ pyrrole, alpha-protonated appyr  
1309 C4H6N+ pyrrole, beta-protonated bppyr  
1310 C4H6N+ pyrrole, protonated ppyr  
1311 C3H6N2 3-Aminopropionitrile c151188  
1312 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1313 CH3CH2CH2CN Butanenitrile c109740  
1314 C5H8 Bicyclo[2.1.0]pentane c185944  
1315 C4H9N Cyclobutylamine cbam  
1316 C3H10N2 1,2-Diaminopropane diampr12  
1317 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1318 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1319 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1320 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1321 NH(C2H5)2 diethylamine dea  
1322 NC4H12+ tetramethyl ammonium cation nc4h12+  
1323 C3O2+ Carbon suboxide cation c3o2+  
1324 B2O3 diboron trioxide b2o3  
1325 MgCO3 Magnesium Carbonate mgco3  
1326 BeCO3 Beryllium Carbonate beco3  
1327 CaCO3 Calcium Carbonate caco3  
1328 ONONO Nitrosyl nitrite onono  
1329 PO4--- phosphate po4---  
1330 SO4-- sulfate so4--  
1331 HOONO2 peroxy nitric acid hoono2  
1332 HSO4- bisulfate anion hso4-  
1333 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1334 C3H2O2 Propiolic acid c3h2o2  
1335 CHOCOOH oxo acetic acid oaa  
1336 CHOOCHO diformyl ether choocho  
1337 H2SO4 Sulfuric acid h2so4  
1338 H2SeO4 Selenic acid h2seo4  
1339 C3H3NO Oxazole oxazole  
1340 C3H3NS Thiazole thiazole  
1341 CH3C(O)OO acetyl peroxy radical ch3coo2  
1342 H3PO4 Phosphoric Acid h3po4  
1343 C4H4O+ Furan cation furan+  
1344 CH3COCCH 3-butyn-2-one c1423605  
1345 C4H4S Thiophene furans  
1346 C4H4Se selenophene c4h4se  
1347 C3H4O2 Methyl glyoxal megly  
1348 HOCHCCHOH allenediol aldiol  
1349 C2H4O3 1,2,3-trioxolane c2h4o3  
1350 C2H4O3 trioxolane124 triox  
1351 HOCH2COOH Hydroxyacetic acid hac  
1352 CH3OCH2CN Methoxyacetonitrile c1738369  
1353 CH5N3S Hydrazinecarbothioamide c79196  
1354 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1355 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1356 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1357 CH2CHSCHCH2 Divinyl sulfide divis  
1358 C2H6N2O Urea, methyl- c598505  
1359 C3H6O2 1,3-Dioxolane dioxolane  
1360 CH3CH2COOH Propanoic Acid propanoic  
1361 HCOOC2H5 Ethyl formate faee  
1362 C2H6O2S Dimethyl sulfone c67710  
1363 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1364 C3H7NO dimethylformamide dmf  
1365 C3H7NO Propanamide propanam  
1366 C2H3OC2H5 Ethene, ethoxy- c109922  
1367 C4H8O Furan, tetrahydro- thf  
1368 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1369 CH3COCH2CH3 2-Butanone buta2one  
1370 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1371 CHOCH2CH2CH3 Butanal butanal  
1372 C4H8S Thiophene, tetrahydro- tht  
1373 C3H8O2 1,3-Propanediol c504632  
1374 C3H8O2 Methane, dimethoxy- c109875  
1375 C3H8O2 Propylene glycol c57556  
1376 C3H8S2 1,3-Propanedithiol c109808  
1377 C4H10O 1-Butanol butanol1  
1378 C4H10O 1-Propanol, 2-methyl- c78831  
1379 C4H10O 2-Butanol, (.+/-.)- butanol2  
1380 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1381 C4H10O Ethoxy ethane etoet  
1382 C4H10O Methyl propyl ether meopr  
1383 C4H10O Propane, 2-methoxy- c598538  
1384 C4H10O+ 1-Butanol cation butanol1+  
1385 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1386 C2H5SC2H5 Diethyl sulfide etset  
1387 C4H9SH 1-Butanethiol bush  
1388 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1389 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1390 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1391 ClONO2 Chlorine nitrate clono2  
1392 BrONO2 Bromine nitrate brono2  
1393 TiCl4 Titanium tetrachloride ticl4  
1394 ClO4- perchlorate anion clo4-  
1395 ClFO3 Perchloryl fluoride clfo3  
1396 SO2F2 Sulfuryl fluoride so2f2  
1397 SO2Cl2 Sulfuryl chloride so2cl2  
1398 F3PO Phosphoryl fluoride pf3o  
1399 Cl3PO Phosphoryl chloride pcl3o  
1400 CF3Cl Methane, chlorotrifluoro- cf3cl  
1401 SiF4 Silicon tetrafluoride sif4  
1402 CF2Cl2 difluorodichloromethane cf2cl2  
1403 TiF4 Titanium tetrafluoride tif4  
1404 CFCl3 Trichloromonofluoromethane cfcl3  
1405 CF3Br Bromotrifluoromethane cf3br  
1406 GeF4 Germanium tetrafluoride gef4  
1407 CCl4 Carbon tetrachloride ccl4  
1408 CCl4+ Carbon tetrachloride cation ccl4+  
1409 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1410 SiCl4 Silane, tetrachloro- sicl4  
1411 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1412 CF3I trifluoroiodomethane cf3i  
1413 CBrCl3 Methane, bromotrichloro- cbrcl3  
1414 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1415 GeCl4 Germanium Tetrachloride gecl4  
1416 CBr2ClF dibromochlorofluoromethane cbr2clf  
1417 CBr2Cl2 dibromodichloromethane cbr2cl2  
1418 CCl3I trichloroiodomethane ccl3i  
1419 CFBr3 fluorotribromomethane cfbr3  
1420 CFClBrI fluorochlorobromoiodomethane cfclbri  
1421 CBr3Cl tribromochloromethane cbr3cl  
1422 CF2I2 difluorodiiodomethane cf2i2  
1423 CBr4 Carbon tetrabromide cbr4  
1424 CCl2I2 dichlorodiiodomethane ccl2i2  
1425 SiBr4 Silicon tetrabromide sibr4  
1426 CBr3I tribromoiododmethane cbr3i  
1427 GeBr4 Germanium tetrabromide gebr4  
1428 CI4 tetraiodomethane ci4  
1429 SiI4 silicon tetraiodide sii4  
1430 ClOF3 Chlorine trifluoride oxide clof3  
1431 SF4 Sulfur tetrafluoride sf4  
1432 SeF4 Selenium tetrafluoride sef4  
1433 SCl4 Sulfur tetrachloride scl4  
1434 C2HF3+ Trifluoroethylene cation c2hf3+  
1435 CHClCCl2 Trichloroethylene chclccl2  
1436 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1437 HClO4 perchloric acid hclo4  
1438 HSO3F Fluorosulfonic acid hso3f  
1439 CF3OH trifluoromethanol cf3oh  
1440 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1441 CHClCCHCl 1,3-dichloroallene chclcchcl  
1442 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1443 CHCl2CHO dichloroacetaldehyde chcl2cho  
1444 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1445 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1446 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1447 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1448 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1449 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1450 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1451 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1452 NH3BCl3 Amminetrichloroboron nh3bcl3  
1453 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1454 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1455 C3H5ClO Oxirane, (chloromethyl)- c106898  
1456 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1457 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1458 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1459 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1460 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1461 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1462 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1463 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1464 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1465 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1466 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1467 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1468 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1469 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1470 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1471 C4H9F 1-fluorobutane butaf1  
1472 CH3CHFCH2CH3 2-fluorobutane butaf2  
1473 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1474 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1475 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1476 XeF4 Xenon tetrafluoride xef4  
1477 C2H2N2O Furazan furazan  
1478 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1479 NH3BF3 Amminetrifluoroboron nh3bf3  
1480 C6H2 hexatriyne c6h2  
1481 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1482 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1483 C6H4 Benzyne benzyne  
1484 C6H5 phenyl phenyl  
1485 C6H5- phenyl anion phenyl-  
1486 C6H6 Prismane prismane  
1487 C6H6 1,2,4,5-Hexatetraene ht1245  
1488 C6H6 2,4-Hexadiyne hexadiyne  
1489 C6H6 3,4-Dimethylenecyclobutene cb34m  
1490 C6H6 Benzene benzene  
1491 C6H6 Benzvalene bv  
1492 C6H6 Dewar Benzene dewar  
1493 C6H6 Hexa-1,5-diene-3-yne hdy153  
1494 C6H6 Trimethylenecycopropane tmcp  
1495 C6H6+ Benzene cation c6h6+  
1496 C6H7+ benzene, protonated c6h7+  
1497 C6H8 (E)-hexa-1,3,5-triene c821078  
1498 C6H8 (E)-hexa-2,3,4-triene c59660650  
1499 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1500 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1501 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1502 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1503 C6H8 3-Methylenecyclopentene c930267  
1504 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1505 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1506 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1507 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1508 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1509 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1510 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1511 C6H10 1,5-Hexadiene c592427  
1512 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1513 C6H10 1-Hexyne hexyne1  
1514 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1515 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1516 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1517 C6H10 2-Hexyne c764352  
1518 C6H10 3-Hexyne hexyne3  
1519 C6H10 cyclohexene cyclohexene  
1520 C6H10 Cyclopentene, 1-methyl- c693890  
1521 C6H10 Cyclopentene, 3-methyl- c1120623  
1522 C6H10 Cyclopentene, 4-methyl- c1759815  
1523 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1524 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1525 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1526 C6H12 (E)-2-Hexene e2hexene  
1527 C6H12 (E)-3-methylpent-2-ene c616126  
1528 C6H12 (E)-hex-3-ene e3hexene  
1529 C6H12 (Z)-3-methylpent-2-ene c922623  
1530 C6H12 (Z)-hex-2-ene z2hexene  
1531 C6H12 (Z)-hex-3-ene z3hexene  
1532 C6H12 2,3-dimethylbut-1-ene c563780  
1533 C6H12 2,3-dimethyl-but-2-ene tmeet  
1534 C6H12 3-methylenepentane c760214  
1535 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1536 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1537 C6H12 Cyclohexane cyclohexane  
1538 C6H12 Cyclopentane, methyl- c96377  
1539 C6H12 Ethylcyclobutane c4806615  
1540 C6H12 hex-1-ene hexene1  
1541 C6H14 Butane, 2,2-dimethyl- buta22  
1542 C6H14 Butane, 2,3-dimethyl- buta23  
1543 C6H14 Hexane hexane  
1544 C6H14 Pentane, 2-methyl- penta2  
1545 C6H14 Pentane, 3-methyl- penta3  
1546 C4N2 2-Butynedinitrile c4n2  
1547 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1548 C4H2N2 Fumaronitrile c4h2n2  
1549 C2H2N4 sym-tetrazine ttz  
1550 C3H3N3 1,3,5-Triazine triazine135  
1551 CH3N5 5-Aminotetrazole c4418615  
1552 C4H4N2 1,3-Diazine diazine13  
1553 C4H4N2 Pyrazine pyrazine  
1554 C4H4N2 Pyridazine pyridazine  
1555 C4H4N2 Succinonitrile c110612  
1556 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1557 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1558 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1559 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1560 C5H5N E-2,4-pentadienenitrile bdcn  
1561 C5H5N Pyridine pyridine  
1562 B3N3H6 borazine borazine  
1563 C6H6 Fulvene fulvene  
1564 C5H6N+ Pyridinium c5h6n  
1565 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1566 C5H7N (E)-2-Pentenenitrile c26294984  
1567 C5H7N (E)-3-Pentenenitrile c16529661  
1568 C5H7N (Z)-2-Pentenenitrile c25899507  
1569 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1570 C5H7N Cyclobutanecarbonitrile c4426113  
1571 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1572 C5H9N Butanenitrile, 2-methyl- c18936179  
1573 C5H9N Pentanenitrile c110598  
1574 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1575 C6H10 Bicyclo[3.1.0]hexane c285585  
1576 C5H11N Cyclopentanamine cypentam  
1577 C5H11N Piperidine piper  
1578 C4H12N2 1,2-Butanediamine c4426486  
1579 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1580 Li2CO3 Lithium Carbonate li2co3  
1581 Na2CO3 Sodium Carbonate na2co3  
1582 C2O4-- oxalate anion c2o4  
1583 MgSO4 Magnesium Sulfate mgso4  
1584 N2O4 Dinitrogen tetroxide n2o4  
1585 C3H2O3 vinylene carbonate vica  
1586 C2H2O4 Oxalic Acid oxalic  
1587 C2H3NO3 Oxamic acid oxamic  
1588 C4H4O2 2(5H)-Furanone furanone  
1589 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1590 C2H4N2O2 Oxalamide oxalamide  
1591 C2H4N2S2 Ethanedithioamide c79403  
1592 C2H4CO3 Ethylene carbonate etco3  
1593 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1594 C3H4S3 1,3-Dithiolane-2-thione c822388  
1595 C2H4O4 Formic acid dimer fadimer  
1596 C4H5NO 3-Methylisoxazole isox3m  
1597 C4H5NO Isoxazole, 5-methyl- c5765446  
1598 C4H5NS 4-Methylthiazole c693958  
1599 C2H5NO3 Nitric acid, ethyl ester c625581  
1600 C5H6O 2H-Pyran pyran2  
1601 C5H6O 2-methylfuran furan2m  
1602 C5H6O 3-Methylfuran furan3m  
1603 C5H6O Pentadienal pdal  
1604 C5H6S Thiophene, 2-methyl- c554143  
1605 C5H6S Thiophene, 3-methyl- c616444  
1606 C4H6O2 γ–Butyrolactone c96480  
1607 C4H6O2 2,3-Butanedione c431038  
1608 C4H6O2 2-Propenoic acid, methyl ester c96333  
1609 C4H6O2 Crotonic Acid crot  
1610 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1611 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1612 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1613 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1614 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1615 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1616 C4H6OS Vinyl sulfoxide c1115157  
1617 CH6N4S Carbonothioic dihydrazide thiacarb  
1618 C2H6N2O2 (E)-Azodioxymethane c37765154  
1619 C2H6N2O2 Dimethylnitroamine c4164287  
1620 C3H6O3 1,3,5-Trioxane trioxane  
1621 C3H6S3 1,3,5-Trithiane c3h6s3  
1622 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1623 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1624 C4H7NO 2-Pyrrolidinone c616455  
1625 C4H7NO Ethoxyacetonitrile etoaccn  
1626 C4H7NO Methacrylamide c79390  
1627 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1628 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1629 C3H7ONO Propyl nitrite prono  
1630 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1631 CH3CH(NH2)COOH Alanine alanine  
1632 CH3NHCH2COOH Sarcosine sarcosine  
1633 NH2CH2CH2COOH β–alanine betaalanine  
1634 NH2COOC2H5 Urethane urethane  
1635 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1636 C5H8O Cyclopentanone c120923  
1637 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1638 C5H8O Methyl cyclopropyl ketone c765435  
1639 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1640 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1641 NH2CONHC2H5 Urea, ethyl- c625525  
1642 C4H8O2 1,3-Dioxane dioxan13  
1643 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1644 C4H8O2 1,4-Dioxane dioxan14  
1645 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1646 C4H8O2 Ethyl acetate c141786  
1647 C4H8OS s-Ethyl thioacetate c625605  
1648 C3H8O3 1,2,3-Propanetriol glycerin  
1649 C3H8O2S (Methylsulfonyl)ethane c594434  
1650 C4H9NO Butanamide c541355  
1651 C4H9NO Propanamide, 2-methyl- c563837  
1652 C5H10O 2-Butanone, 3-methyl- c563804  
1653 C5H10O 2H-Pyran, tetrahydro- c142687  
1654 C5H10O 2-methylbutyraldehyde 2meba  
1655 C5H10O 2-Pentanone mpk  
1656 C5H10O 3-Pentanone dek  
1657 C5H10O Cyclopentanol c96413  
1658 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1659 C5H10O Pentanal pal  
1660 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1661 C5H10S 3-Ethylthio-1-propene c5296628  
1662 C5H10S Cyclopentanethiol c1679078  
1663 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1664 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1665 C4H10O2 1,1-Dimethoxyethane c534156  
1666 C4H10O2 1,3-Butanediol budiol13  
1667 C4H10O2 1,4-Butanediol budiol14  
1668 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1669 C4H10OS Diethyl sulfoxide c70291  
1670 C4H10S2 1,4-Butanedithiol budisl14  
1671 C4H11NO Diethylhydroxylamine c3710847  
1672 C5H12O 1-Butanol, 2-methyl- c137326  
1673 C5H12O 1-Butanol, 3-methyl- c123513  
1674 C5H12O 1-Pentanol pentanol1  
1675 C5H12O 2-Butanol, 3-methyl- c598754  
1676 C5H12O 2-Pentanol peol2  
1677 C5H12O 3-Pentanol pentan3ol  
1678 C5H12O Butane, 1-methoxy- meobu  
1679 C5H12O Propane, 1-ethoxy- proet  
1680 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1681 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1682 C5H12S 1-Butanethiol, 3-methyl- c541311  
1683 C5H12S 1-Pentanethiol c110667  
1684 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1685 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1686 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1687 C5H12S Butane, 1-(methylthio)- c628295  
1688 C5H12S Ethyl propyl sulfide c4110503  
1689 C5H12S Propane, 2-(ethylthio)- c5145993  
1690 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1691 C4F2 difluorobutadiyne c4f2  
1692 ClCOClCO Oxalyl chloride oxcl  
1693 CF3CN Acetonitrile, trifluoro- cf3cn  
1694 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1695 B2F4 Diboron tetrafluoride b2f4  
1696 B2Cl4 Diboron tetrachloride b2cl4  
1697 C2F4 Tetrafluoroethylene c2f4  
1698 C2F4+ Tetrafluoroethylene cation c2f4+  
1699 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1700 CF2CCl2 difluorodichloroethylene cf2ccl2  
1701 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1702 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1703 C2FCl3 fluorotrichloroethene c2fcl3  
1704 C2Cl4 Tetrachloroethylene c2cl4  
1705 C2Br4 tetrabromoethene c2br4  
1706 CF3OF Trifluoromethylhypofluorite cf3of  
1707 SiF5- silicon pentafluoride anion sif5-  
1708 SOF4 Sulfur tetrafluoride oxide sof4  
1709 PF5 Phosphorus pentafluoride pf5  
1710 AsF5 Arsenic pentafluoride asf5  
1711 PCl5 Phosphorus pentachloride pcl5  
1712 SF5 Sulfur pentafluoride sf5  
1713 SF5+ pentafluoro sulfur cation sf5+  
1714 SbCl5 Antimony pentachloride sbcl5  
1715 BrF5 bromine pentafluoride brf5  
1716 ClF5 chlorinepentafluoride clf5  
1717 IF5 pentafluoroiodine if5  
1718 CF3CHO trifluoroacetaldehyde cf3cho  
1719 CCl3CHO trichloroacetaldehyde ccl3cho  
1720 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1721 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1722 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1723 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1724 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1725 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1726 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1727 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1728 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1729 CF3COOH trifluoroacetic acid cf3cooh  
1730 C4H3ClO Furan, 2-chloro fur2cl  
1731 C4H3ClO Furan,3-chloro fur3cl  
1732 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1733 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1734 C4H8Cl2 1,4-Dichlorobutane c110565  
1735 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1736 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1737 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1738 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1739 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1740 C5H11Cl Pentane, 1-chloro- pencl1  
1741 C4H8O2 Butanoic acid bua  
1742 C6H5CH2 benzyl radical benzyl  
1743 C7H7 cycloheptatrienyl radical c7h7  
1744 C7H7+ cycloheptatrienyl cation c7h7+  
1745 C6H5CH3 toluene toluene  
1746 C7H8 cycloheptatriene cht  
1747 C7H8 Norbornadiene norbor  
1748 C7H8 Quadricyclane qucy  
1749 C7H12 Norbornane nor  
1750 C7H14 cycloheptane c7h14  
1751 C7H16 2-methylhexane 2mhex  
1752 C7H16 3-methylhexane hex3m  
1753 C7H16 heptane heptane  
1754 CH(CN)3 tricyanomethane mecn3  
1755 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1756 C6H7N 2-Methylpyridine mp  
1757 C6H5NH2 aniline aniline  
1758 C6H13N 2-Methylpiperidine pip2m  
1759 C6H13N cyclohexanamine cham  
1760 C6H15N triethylamine tea  
1761 N2O5 Dinitrogen pentoxide n2o5  
1762 C4H2O3 Maleic Anhydride malan  
1763 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1764 C5H4O2 furfural furfural  
1765 C6H5O phenoxy radical phenoxy  
1766 C5H5NO 2(1H)-Pyridinone c72762006  
1767 C5H5NO 2(3H)-Pyridinone c9000048  
1768 C5H5NO 2(5H)-Pyridinone c9000037  
1769 C5H5NO 2-Pyridinol c109104  
1770 C5H5NO 3(2H)-Pyridinone c9000004  
1771 C5H5NO 3(4H)-Pyridinone c9000026  
1772 C5H5NO 3(6H)-Pyridinone c9000015  
1773 C5H5NO 3-Pyridinol c109002  
1774 C5H5NO 4(1H)-Pryidinone c9000060  
1775 C5H5NO 4(3H)-Pryidinone c9000059  
1776 C5H5NO 4-Pyridinol c626642  
1777 C6H5OH phenol phenol  
1778 C6H6O 2,4-Cyclohexadienone c24599573  
1779 C6H6O 2,5-Cyclohexadienone c5664335  
1780 C6H5SH Benzenethiol phsh  
1781 HO2CCHNH2CH2OH Serine serine  
1782 C5H8O2 Acetylacetone acac  
1783 C4H8O2S Sulfolane sulfolane  
1784 C7H10 Norbornene norbornene  
1785 CH(C2H3)3 trivinyl methane tvm  
1786 C6H10O cyclohexanone chexo  
1787 C6H12O hexanal c6h12o  
1788 C6H12O Oxepane oxepane  
1789 C3H7OC3H7 di-n-propyl ether propr  
1790 F2CCCF2 tetrafluoroallene pfa  
1791 CF3COO- trifluoro acetate anion cf3coo-  
1792 CF3COF trifluoroacetyl fluoride cf3cof  
1793 CF3COCl trifluoroacetyl chloride cf3cocl  
1794 PF6 Hexafluorophosphate neutral pf6  
1795 PF6- Hexafluorophosphate ion pf6-  
1796 SF6 Sulfur Hexafluoride sf6  
1797 SeF6 Selenium hexafluoride sef6  
1798 SF5Cl sulfur chloropentafluoride sf5cl  
1799 CF3CHF2 pentafluoroethane cf3chf2  
1800 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1801 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1802 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1803 CCl3CHCl2 pentachloroethane ccl3chcl2  
1804 C6H5F Fluorobenzene bzf  
1805 C6H5Cl chlorobenzene bzcl  
1806 C6H5Br bromobenzene bzbr  
1807 C8H6 Calicene calicene  
1808 C6H5CCH phenylacetylene phac  
1809 C8H6 benzocyclobutadiene bcbd  
1810 C8H6 Pentalene pentalene  
1811 C6H5CHCH2 Styrene styrene  
1812 C8H8 cubane cubane  
1813 C8H8 cyclooctatetraene cot  
1814 C6H5CH2CH3 Ethylbenzene etbz  
1815 CH3C6H4CH3 meta-xylene mxylene  
1816 CH3C6H4CH3 paraxylene pxylene  
1817 C8H14 Bicyclo[2.2.2]octane bico222  
1818 C8H16 cyclooctane cyclooct  
1819 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1820 C8H18 Octane c8h18  
1821 C6H5CN phenyl cyanide phcn  
1822 C6H12N2 Triethylenediamine ted  
1823 C4O4-- squarate dianion c4o4--  
1824 S4N4 Tetrasulfur tetranitride s4n4  
1825 S8 Octasulfur s8  
1826 C6H4O2 parabenzoquinone pbq  
1827 C4H4N2O2 Uracil uracil  
1828 C6H5CHO benzaldehyde benzal  
1829 C6H5OCH3 Anisole anisole  
1830 C5H9NO2 Proline proline  
1831 C6H12O2 Methyl pivalate c598981  
1832 C6H12O2 Hexanoic acid hexa  
1833 C4F4 tetrafluorcyclobutadiene c4f4  
1834 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1835 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1836 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1837 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1838 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1839 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1840 C2F6 hexafluoroethane c2f6  
1841 C2Cl6 hexachloroethane c2cl6  
1842 IF7 Iodine heptafluoride if7  
1843 C6H4F2 metadifluorobenzene mdfb  
1844 C6H4F2 orthodifluorobenzene odfb  
1845 C6H4F2 1,4-difluorobenzene pdfb  
1846 C6H4Cl2 1,2-dichlorobenzene dcb12  
1847 C6H4Cl2 1,3-dichlorobenzene dcb13  
1848 C6H4Cl2 1,4-dichlorobenzene dcb14  
1849 C6H5NO nitrosobenzene bzno  
1850 C9H8 Indene indene  
1851 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1852 C9H12 n-propyl benzene prbz  
1853 C9H20 Nonane nonane  
1854 C(CN)4 tetracyanomethane c5n4  
1855 C5H4N4 purine purine  
1856 C8H7N Indole indole  
1857 C3H3N3O3 cyanuric acid cyanuric  
1858 C6H5NO2 Nitrobenzene c6h5no2  
1859 C6H5COOH benzoic acid benzo  
1860 CH3COC6H5 acetophenone acph  
1861 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1862 C3F6 hexafluoropropene c3f6  
1863 C6H3F3 Benzene trifluoride 123 bzf3a  
1864 C8H18O 1-Octanol octanol  
1865 C10H8 Azulene azu  
1866 C10H8 naphthalene naph  
1867 C10H10 bullvalene bullv  
1868 C10H16 adamantane adamantane  
1869 C6N4 Tetracyanoethylene tcne  
1870 C6N4- tetracyanoethylene anion tcne-  
1871 C10H22 Decane decane  
1872 C4F6 perfluorobutadiene c4f6  
1873 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1874 C3F8 perfluoropropane c3f8  
1875 Fe(CO)5 Iron pentacarbonyl ipc  
1876 Fe(C5H5)2 ferrocene fecp2  
1877 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1878 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1879 C12H8 Acenaphthylene acenaph  
1880 C12H8 biphenylene biph  
1881 C12H10 biphenyl biphenyl  
1882 C12H10 Heptalene heptalene  
1883 C6H12O6 Inositol inositol  
1884 C6F6 hexafluorobenzene c6f6  
1885 S2F10 disulphur decafluoride s2f10  
1886 C13H10 Fluorene fluorene  
1887 C14H10 Anthracene anth  
1888 C14H10 Phenanthrene phenanthrene  
1889 C14H14 Bibenzyl bibenzyl  
1890 C12H10N2 azobenzene azobenzene  
1891 C6H5COC6H5 benzophenone benzophenone  
1892 C16H10 Pyrene pyrene  
1893 C18H12 Tetracene tetracene  
1894 C19H16 Triphenylmethane tpm  
1895 C24H12 Coronene coronene  
1896 C60 Buckminsterfullerene c60