return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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List of which calculations are completed at SVWN /cc-pV(T+d)Z

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count Species Name State Conformation
1 Si Silicon atom 3PKh
2 SiH2 silicon dihydride 1A1C2v
3 SiH2 silicon dihydride 3B1C2v
4 SiH3 Silyl radical 2A1C3v
5 CH4 Methane 1A1Td
6 SiH4 Silane 1A1Td
7 P Phosphorus atom 4SKh
8 PH3 Phosphine 1A1C3v
9 PH4+ phosphonium cation   
10 S Sulfur atom 3PKh
11 HS Mercapto radical 2ΠC∞v
12 H2S Hydrogen sulfide 1A1C2v
13 H2S+ Hydrogen sulfide cation 2B1C2v
14 H3S+ Sulfonium cation 1A1C3v
15 Cl Chlorine atom 2PKh
16 HCl Hydrogen chloride 1ΣC∞v
17 HCl+ hydrogen chloride cation 2ΠC∞v
18 H2Cl+ dihydrogen monochloride cation 1A1C2v
19 BAl Boron Aluminum 3ΣC∞v
20 AlC Aluminum carbide 4ΣC∞v
21 C2H2 Acetylene 1ΣgD∞h
22 C2H2+ acetylene cation 2ΠuD∞h
23 C2H4 Ethylene 1AgD2h
24 C2H6 Ethane 1A1gD3d
25 Si2H6 disilane 1EuD3d
26 SiP Silicon monophosphide 2ΠC∞v
27 HCN Hydrogen cyanide 1ΣC∞v
28 CH2PH Phosphaethene 1A'Cs
29 N2H4 Hydrazine 1AC2
30 CH3NH2 methyl amine 1A'Cs
31 BH3PH3 borane phosphine   
32 NH3NH3 Ammonia Dimer 1AgC2h
33 LiS Lithium monosulfide 2ΠC∞v
34 CaS Calcium sulfide 1ΣC∞v
35 GeO Germanium monoxide 1ΣC∞v
36 SiSe Silicon Monoselenide   
37 PO Phosphorus monoxide 2ΠC∞v
38 PS phosphorus sulfide 2ΣC∞v
39 SO Sulfur monoxide 3ΣC∞v
40 S2 Sulfur diatomic 3ΣgD∞h
41 S2+ sulfur diatomic cation 2ΠD∞h
42 Se2 Selenium diatomic 3ΣgD∞h
43 HSO+ Sulfur Monoxide, S-protonated   
44 SOH Sulfur Hydroxide   
45 SOH+ Sulfur Monoxide, protonated   
46 H2CO Formaldehyde 1A1C2v
47 H2CO+ formaldehyde cation 2B2C2v
48 H2CS Thioformaldehyde 1A1C2v
49 H2CSe Selenoformaldehyde   
50 H2S2 Disulfane 1AC2
51 H2S2+ hydrogen disulfide cation 2BgC2h
52 H2CSH+ Thioformaldehyde, protonated 1A'Cs
53 H2POH Phosphinous acid 1A1'CS trans
54 H2POH Phosphinous acid 1A1'CS cis
55 H3PO Phosphine oxide 1A1C3v
56 CH3OH Methyl alcohol 1A'Cs
57 CH3SH Methanethiol 1A'Cs
58 CH3SH2+ protonated methylsulfide 1A'Cs
59 H2ONH3 Water Ammonia Dimer 1A'C1
60 LiCl lithium chloride 1ΣC∞v
61 AlCl Aluminum monochloride 1ΣC∞v
62 SiF silicon monofluoride 2ΠC∞v
63 SiF+ silicon monofluoride cation 1ΣC∞v
64 NCl nitrogen monochloride 3ΣC∞v
65 ClO Monochlorine monoxide 2ΠC∞v
66 SF Monosulfur monofluoride 2ΠC∞v
67 SF+ sulfur monofluoride cation 3ΣC∞v
68 SCl sulfur monochloride 2ΠC∞v
69 SCl+ sulfur monochloride cation 3ΣgC∞v
70 SBr Sulfur monobromide radical   
71 Cl2- chlorine diatomic anion 2ΣuD∞h
72 Cl2+ chlorine diatomic cation 2ΠgD∞h
73 CH3Cl Methyl chloride 1A1C3v
74 SiH3Cl chlorosilane 1A1C1
75 CH3CCH propyne 1A'C3v
76 C3H6 Cyclopropane 1A1'D3h
77 CH2CHCH3 Propene 1A'Cs
78 C3H8 Propane 1A1C2v
79 Si3H8 trisilane   
80 CH2NN diazomethane 1A1C2v
81 CH3CN Acetonitrile 1A1C3v
82 NHCHNH2 aminomethanimine 1AC1
83 C2H5N Aziridine 1A'C1
84 CH3CH2NH2 Ethylamine 1A'Cs
85 CH3NHCH3 Dimethylamine 1A'Cs
86 Li2S dilithium sulfide 1ΣGD∞h
87 Li2S dilithium sulfide 1A1C2v
88 NNS Nitrogen sulfide 1ΣC∞v
89 CO2 Carbon dioxide 1ΣgD∞h
90 OCS Carbonyl sulfide 1ΣC∞v
91 SiS2 Silicon disulfide 1ΣGD∞h
92 NSO sulfinyl amidogen   
93 SNO Nitrogen oxide sulfide   
94 SO2 Sulfur dioxide 1A1C2v
95 S3 Sulfur trimer   
96 S3+ Sulfur trimer cation 2B2C2v
97 HNCO Isocyanic acid 1A'Cs
98 CH2CS Thioketene   
99 CH2O2 Dioxirane 1A1C2v
100 HCOOH Formic acid 1A'Cs
101 HSSSH trisulfane 1AC2
102 HSSSH trisulfane 1A'Cs
103 CHONH2 formamide 1A'Planar
104 C2H4O Ethylene oxide 1A1C2v
105 CH3CHO Acetaldehyde 1A'Cs
106 C2H4S Thiirane 1A1C2v
107 CH3CHS Thioacetaldehyde 1A'C1
108 CH3SSH Hydrogen methyl disulfide   
109 H2OH2CO water formaldehyde dimer 1AC1
110 CH3CH2OH Ethanol 1A'Cs
111 CH3OCH3 Dimethyl ether 1A1C2v
112 CH3CH2SH ethanethiol 1A'Cs
113 H2OCH3OH water methanol dimer 1AC1
114 FNS Thionitrosyl fluoride 1A'Cs
115 FSN Thiazyl fluoride 1A'Cs
116 OPCl Phosphorus oxychloride   
117 GeCl2 Germanium dichloride 1A1C2v
118 OClO Chlorine dioxide 2B1D∞h
119 ClSO Sulfur chloride oxide 2A"Cs
120 FClO chlorosyl fluoride 1A'Cs
121 ClOF Chlorine hypofluorite 1A'Cs
122 SF2 sulfur difluoride 1A1C2v
123 SCl2 Sulfur dichloride 1A1C2v
124 SeCl2 Selenium Dichloride   
125 SBr2 Sulfur dibromide   
126 SeBr2 Selenium dibromide   
127 CH2F2 Methane, difluoro- 1A1C2v
128 CH2Cl2 Methylene chloride 1A1C2v
129 CH2CHF Ethene, fluoro- 1A'Cs
130 C2H5F fluoroethane 1A'Cs
131 CH2CHCHCH2 1,3-Butadiene 1AgC2h
132 CH2C(CH3)CH3 1-Propene, 2-methyl- 1A1C2v
133 CH3CH(CH3)CH3 Isobutane 1A1C3v
134 CH3CH2CH2CH3 Butane 1AgAnti
135 C3H3N acrylonitrile 1A'Cs
136 C4H8 cyclobutane 1A1D2d
137 C2H8N2 Ethylenediamine 1AgC2h
138 CH3CH(NH2)CH3 2-Propanamine 1A'Cs
139 N(CH3)3 Trimethylamine 1A1C3v
140 S2N2 Disulfur dinitride 1AGD2h
141 CS3-- Carbonotrithioate   
142 SO3 Sulfur trioxide 1A1'D3h
143 S4 Sulfur tetramer   
144 S4 Sulfur tetramer   
145 S4 Sulfur tetramer   
146 C2H2O2 Ethanedial 1AgC2h
147 CH3COO- acetate anion 1A'eclipsed
148 CH3NO2 Methane, nitro- 1A'Cs
149 H3AlO3 Aluminum hydroxide   
150 C3H4O 2-Propyn-1-ol 1A'Cs
151 CH2CHCHO Acrolein 1A'Cs
152 NH2CONH2 Urea 1AC2
153 CH3COOH Acetic acid 1A'Cs
154 CH3OCHO methyl formate 1A'Cs
155 CHOCH2OH hydroxy acetaldehyde 1A'CS H in
156 H2OHCOOH Water formic acid dimer 1 1AC1
157 H2OHCOOH Water formic acid dimer 2 1AC1
158 HCOOHH2O Formic acid water dimer 1AC1
159 CH3CHNOH Acetaldoxime 1A'CS trans
160 CH3CONH2 Acetamide 1A'C1
161 CH3CSNH2 Ethanethioamide   
162 C3H6O Propylene oxide 1AC1
163 CH3CH2CHO Propanal 1A'Cs
164 CH3COCH3 Acetone 1A1C2v
165 C2H6O2 1,2-Ethanediol 1AgC2h
166 C3H7OH 1-Propanol 1A'Cs
167 CH3CHOHCH3 Isopropyl alcohol 1AC1
168 H2OCH3OCH3 water dimethylether dimer 1AC1
169 CF2O Carbonic difluoride 1A1C2v
170 Cl2CS Thiophosgene 1A1C2v
171 AlF3 Aluminum trifluoride 1A1'D3h
172 ClO2F Chloryl fluoride 1A'Cs
173 F2SO Thionyl Fluoride 1A'Cs
174 FSSF Difluorodisulfane 1AC2
175 S2F2 Thio-thionyl fluoride 1A'Cs
176 SSCl2 Thiothionyl chloride   
177 SF3 Sulfur trifluoride 2A'Cs
178 ClF3 Chlorine trifluoride 1A1'D3h
179 ClF3 Chlorine trifluoride 1A1C2v
180 HClO3 Chloric Acid 1AC1
181 CHF3 Methane, trifluoro- 1A1C3v
182 CH2CF2 Ethene, 1,1-difluoro- 1A1C2v
183 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
184 C5H6 1-Buten-3-yne, 2-methyl- 1A'Cs
185 C5H8 1,3-Butadiene, 2-methyl- 1A'Cs
186 C5H8 Cyclopentene 1A'Cs
187 C5H10 Cyclopentane 1AC1
188 CH2CHCH2CH2CH3 1-pentene 1AC1
189 C5H12 Butane, 2-methyl- 1AC1
190 C5H12 Pentane 1A1C2v
191 C3H2N2 Malononitrile 1A1Cs
192 C3H4N2 1H-Imidazole 1A'Cs
193 C3H4N2 1H-Pyrazole 1A'Cs
194 C4H5N Pyrrole 1A1C2v
195 C3H6N2 3-Aminopropionitrile 1A'Cs
196 C5H8 Bicyclo[2.1.0]pentane 1A'Cs
197 C5H8 Spiropentane 1A1D2d
198 C4H9N Pyrrolidine 1A'Cs
199 C3H10N2 1,2-Diaminopropane 1AC1
200 C(CH3)3NH2 2-Propanamine, 2-methyl- 1AC1
201 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- 1AC1
202 C(NH2)H2CH2CH2CH3 1-Butanamine 1A'Cs
203 H2SO4 Sulfuric acid 1AC1
204 C3H3NO Isoxazole 1A'Cs
205 C4H4O Furan 1A1C2
206 C3H4O2 β–Propiolactone 1A'Cs
207 C3H4O2 2-Propenoic acid 1A'Cs
208 CH2CHCONH2 Acrylamide 1ACs
209 H2NCH2COOH Glycine 1A'Cs
210 CH2CHOCHCH2 Vinyl ether 1A1C2v
211 CH3COOCH3 methyl acetate 1A'Cs
212 C2H6O2S Dimethyl sulfone 1A1C2v
213 C3H7NO Propanamide 1A'C1
214 C2H3OC2H5 Ethene, ethoxy- 1AC1
215 CH2C(CH3)OCH3 1-Propene, 2-methoxy- 1AC1
216 CH3COCH2CH3 2-Butanone 1AC1
217 CHOCH(CH3)CH3 Propanal, 2-methyl- 1A'Cs
218 CHOCH2CH2CH3 Butanal 1A'Cs
219 C3H8O2 Propylene glycol 1AC1
220 C4H10O 1-Propanol, 2-methyl- 1AC1
221 C4H10O Ethanol, 1,1-dimethyl- 1AC1
222 C4H10O Ethoxy ethane 1A1C2v
223 CF4 Carbon tetrafluoride 1A1Td
224 CF2Cl2 difluorodichloromethane 1A1C2v
225 SF4 Sulfur tetrafluoride 1A1C2v
226 C2HF3 Trifluoroethylene 1A'Cs
227 HClO4 perchloric acid 1ACs
228 SiH3CCl3 (trichloromethyl)silane 1A1C3v
229 C6H6 Benzene 1A1gD6h
230 C6H10 cyclohexene 1AC2
231 C6H12 Cyclohexane 1A1gChair
232 C6H12 Cyclopentane, methyl- 1AC1
233 C6H14 Butane, 2,2-dimethyl- 1A'C1
234 C6H14 Butane, 2,3-dimethyl- 1AgC2h
235 C6H14 Hexane 1AgC2h
236 C6H14 Pentane, 2-methyl- 1AC1
237 C6H14 Pentane, 3-methyl- 1A'Cs
238 C4H4N2 1,3-Diazine 1A1C2v
239 C4H4N2 Pyrazine 1AgD2h
240 C4H4N2 Pyridazine 1A1C2v
241 C4H4N2 Succinonitrile 1AgC2h
242 C5H5N Pyridine 1A1C2v
243 C5H7N 1H-Pyrrole, 1-methyl- 1AC1
244 C5H9N Pentanenitrile 1A'Cs
245 C4H6O2 2-Propenoic acid, methyl ester 1AC1
246 C3H6O3 1,3,5-Trioxane 1A1C1
247 C4H7NO Methacrylamide 1AC1
248 HCONH2CN2H4 formamide aminomethanimine dimer 1AC1
249 CH3CH(NH2)COOH Alanine 1AC1
250 CH3NHCH2COOH Sarcosine 1AC1
251 NH2CH2CH2COOH β–alanine 1AC1
252 NH2COOC2H5 Urethane 1AC1
253 C5H8O 2H-Pyran, 3,4-dihydro- 1AC1
254 C4H8O2 1,4-Dioxane 1AgC2h
255 C3H8O3 1,2,3-Propanetriol 1AC1
256 C5H10O 2H-Pyran, tetrahydro- 1A'C1
257 C5H10O 2-Pentanone 1AC1
258 C5H10O 3-Pentanone 1A1C2v
259 C5H10O Cyclopentanol 1AC1
260 C5H10O Pentanal 1A'C1
261 C4H10O2 1,3-Butanediol 1AC1
262 C4H10O2 1,4-Butanediol 1AgC2h
263 C4H10O2 Ethane, 1,2-dimethoxy- 1AgC2h
264 C5H12O 1-Butanol, 2-methyl- 1AC1
265 C5H12O 1-Butanol, 3-methyl- 1A'Cs
266 C5H12O 1-Pentanol 1A'Cs
267 CF3CN Acetonitrile, trifluoro- 1A1C3v
268 C2F4 Tetrafluoroethylene 1AgD2h
269 CF3OF Trifluoromethylhypofluorite 1A'Cs
270 SiF5- silicon pentafluoride anion   
271 SOF4 Sulfur tetrafluoride oxide 1A1C2v
272 PF5 Phosphorus pentafluoride 1A1'D3h
273 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-   
274 C6H5CH3 toluene 1A'Cs
275 C7H12 Norbornane 1A1C2v
276 C7H16 heptane 1A1C2v
277 C6H5NH2 aniline 1A'Cs
278 C5H5NO 2-Pyridinol 1A'Cs
279 C5H5NO 3-Pyridinol 1A'Cs
280 C6H5OH phenol 1A'Cs
281 C6H10O cyclohexanone 1A'Cs
282 PF6- Hexafluorophosphate ion 1A1GOh
283 SF5Cl sulfur chloropentafluoride 1A1C4v
284 C6H5CHCH2 Styrene 1A'Cs
285 C8H8 cubane 1A1GOh
286 C6H5CH2CH3 Ethylbenzene 1A'Cs
287 C6H5CN phenyl cyanide 1A1C2v
288 C6H5CHO benzaldehyde 1A'Cs
289 C6H5OCH3 Anisole 1A'Cs
290 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- 1AGD2h
291 C2F6 hexafluoroethane 1A1gD3d
292 C6H5NO2 Nitrobenzene 1A1C2v
293 C6H5COOH benzoic acid 1A'Cs
294 C10H8 naphthalene 1AgD2h
295 C10H16 adamantane 1A1Td
296 C12H10 biphenyl 1AD2

Species NOT done yet
count Species Name file name problem
1 D Deuterium atom d  
2 D- Deuterium atom anion d-  
3 D+ Deuterium atom cation d+  
4 H Hydrogen atom h  
5 H- Hydrogen atom anion h-  
6 H+ Hydrogen atom cation h+  
7 D2 Deuterium diatomic d2  
8 H2 Hydrogen diatomic h2  
9 H2- hydrogen diatomic anion h2-  
10 H2+ Hydrogen cation h2+  
11 HD Deuterium hydride hd  
12 H3+ hydrogen trimer cation h3+  
13 He Helium atom he  
14 He- Helium atom anion he-  
15 He+ Helium atom cation he+  
16 HeH Helium hydride heh  
17 HeH+ Helium hydride cation heh+  
18 He2+ helium diatomic cation he2+  
19 Li Lithium atom li  
20 Li- Lithium atom anion li-  
21 Li+ Lithium atom cation li+  
22 Na Sodium atom na  
23 Na- Sodium atom anion na-  
24 Na+ Sodium atom cation na+  
25 K Potassium atom k  
26 K- Potassium atom anion k-  
27 K+ Potassium atom cation k+  
28 Cu Copper atom cu  
29 Cu- Copper atom anion cu-  
30 Cu+ Copper atom cation cu+  
31 LiH Lithium Hydride lih  
32 LiH- lithium hydride anion lih-  
33 LiH+ lithium hydride cation lih+  
34 NaH sodium hydride nah  
35 NaH- sodium hydride anion nah-  
36 NaH+ sodium hydride cation nah+  
37 KH Potassium hydride kh  
38 KH+ Potassium hydrogen cation kh+  
39 CuH Copper monohydride cuh  
40 Be Beryllium atom be  
41 Be- Beryllium atom anion be-  
42 Be+ Beryllium atom cation be+  
43 Mg Magnesium atom mg  
44 Mg- Magnesium atom anion mg-  
45 Mg+ Magnesium atom cation mg+  
46 Ca Calcium atom ca  
47 Ca- Calcium atom anion ca-  
48 Ca+ Calcium atom cation ca+  
49 Zn Zinc atom zn  
50 Zn- Zinc atom anion zn-  
51 Zn+ Zinc atom cation zn+  
52 BeH beryllium monohydride beh  
53 BeH- berylium monohydride anion beh-  
54 BeH+ beryllium monohydride cation beh+  
55 MgH magnesium monohydride mgh  
56 MgH- magnesium monohydride anion mgh-  
57 MgH+ magnesium monohydride cation mgh+  
58 CaH Calcium monohydride cah  
59 CaH+ Calcium monohydride cation cah+  
60 TiH Titanium monohydride tih  
61 ZnH Zinc monohydride znh  
62 ZnH+ Zinc, protonated znh+  
63 BeH2 beryllium dihydride beh2  
64 BeH2+ Beryllium dihydride cation beh2+  
65 MgH2 magnesium dihydride mgh2  
66 CaH2 Calcium Hydride cah2  
67 ZnH2 Zinc hydride znh2  
68 B Boron atom b  
69 B- Boron atom anion b-  
70 B+ Boron atom cation b+  
71 Al Aluminum atom al  
72 Al- Aluminum atom anion al-  
73 Al+ Aluminum atom cation al+  
74 Sc Scandium atom sc  
75 Sc+ Scandium cation sc+  
76 Ga Gallium atom ga  
77 Ga- Gallium atom anion ga-  
78 Ga+ Gallium atom cation ga+  
79 BH Boron monohydride bh  
80 BH- boron monohydride anion bh-  
81 BH+ boron monohydride cation bh+  
82 AlH aluminum monohydride alh  
83 AlH- aluminum monohydride anion alh-  
84 AlH+ aluminum monohydride cation alh+  
85 ScH Scandium monohydride sch  
86 ScH+ Scandium monohydride cation sch+  
87 GaH Gallium monohydride gah  
88 GaH+ Gallium monohydride cation gah+  
89 BH2 boron dihydride bh2  
90 BH2- boron dihydride anion bh2-  
91 BH2+ Boron dihydride cation bh2+  
92 AlH2 aluminum dihydride alh2  
93 AlH2- aluminum dihydride anion alh2-  
94 AlH2+ aluminum dihydride cation alh2+  
95 BH3 boron trihydride bh3  
96 BH3- boron trihydride anion bh3-  
97 BH3+ boron trihydride cation bh3+  
98 AlH3 aluminum trihydride alh3  
99 AlH3- aluminum trihydride anion alh3-  
100 AlH3+ aluminum trihydride cation alh3+  
101 ScH3 Scandium trihydride sch3  
102 GaH3 Gallium trihydride gah3  
103 BH4 borohydride bh4  
104 BH4- borohydride anion bh4-  
105 AlH4- Aluminum tetrahydride anion alh4-  
106 C Carbon atom c  
107 C- Carbon atom anion c-  
108 C+ Carbon atom cation c+  
109 Si- Silicon atom anion si-  
110 Si+ Silicon atom cation si+  
111 Ti Titanium atom ti  
112 Ti- Titanium atom anion ti-  
113 Ti+ Titanium atom cation ti+  
114 Ge Germanium atom ge  
115 Ge- Germanium anion ge-  
116 Ge+ Germanium cation ge+  
117 Sn Tin atom sn  
118 Sn+ Tin cation sn+  
119 CH Methylidyne ch  
120 CH- methylidyne anion ch-  
121 CH+ Methylidyne cation ch+  
122 SiH Silylidyne sih  
123 SiH- silicon monohydride anion sih-  
124 SiH+ silicon monohydride cation sih+  
125 GeH germylidene geh  
126 GeH+ Germaniun monohyrdide cation geh+  
127 CH2 Methylene ch2  
128 CH2- methylene anion ch2-  
129 CH2+ methylene cation ch2+  
130 SiH2- silicon dihydride anion sih2-  
131 SiH2+ silicon dihydride cation sih2+  
132 GeH2 germylene geh2  
133 GeH2- germylene anion geh2-  
134 CH3 Methyl radical ch3  
135 CH3- methyl anion ch3-  
136 CH3+ methyl cation ch3+  
137 SiH3- Silyl anion sih3-  
138 SiH3+ Silyl cation sih3+  
139 GeH3 Germyl radical geh3  
140 GeH3+ germyl cation geh3+  
141 CD4 methane-d4 cd4  
142 CH2D2 methane-d2 ch2d2  
143 CH3D methane-d ch3d  
144 CH4- Methane anion ch4-  
145 CHD3 methane-d3 chd3  
146 SiH2D2 silane-d2 sih2d2  
147 SiH4+ Silane cation sih4+  
148 GeH4 Germane geh4  
149 SnH4 Stannane snh4  
150 SiH5+ Silane, protonated sih5+  
151 N Nitrogen atom n  
152 N- Nitrogen atom anion n-  
153 N+ Nitrogen atom cation n+  
154 P- Phosphorus atom anion p-  
155 P+ Phosphorus atom cation p+  
156 V Vanadium atom v  
157 V+ Vanadium atom cation v+  
158 As Arsenic atomic as  
159 As- Arsenic anion as-  
160 As+ Arsenic cation as+  
161 Sb Antimony atom sb  
162 NH Imidogen nh  
163 NH- Imidogen anion nh-  
164 NH+ imidogen cation nh+  
165 PH phosphorus monohydride ph  
166 PH- phosphorus monohydride anion ph-  
167 PH+ phosphorus monohydride cation ph+  
168 AsH Arsenic monohydride ash  
169 AsH+ Arsenic monohydride cation ash+  
170 SbH Antimony monohydride sbh  
171 ND2 Amidogen-d2 nd2  
172 NH2 Amino radical nh2  
173 NH2- amino anion nh2-  
174 NH2+ Amino cation nh2+  
175 PH2 Phosphino radical ph2  
176 PH2- Phosphino anion ph2-  
177 PH2+ Phosphino cation ph2+  
178 AsH2 Arsenic dihydride ash2  
179 AsH2+ Arsenic dihydride cation ash2+  
180 ND3 Ammonia-d3 nd3  
181 NH3 Ammonia nh3  
182 NH3- Ammonia anion nh3-  
183 NH3+ ammonia cation nh3+  
184 PH3+ Phosphine cation ph3+  
185 AsH3 Arsine ash3  
186 AsH3+ Arsine cation ash3+  
187 SbH3 Stibine sbh3  
188 AsH4+ Arsonium ash4+  
189 NH4 Ammonium radical nh4  
190 NH4+ ammonium cation nh4+  
191 PH4 Phosphoranyl radical ph4  
192 O Oxygen atom o  
193 O- Oxygen atom anion o-  
194 O+ Oxygen atom cation o+  
195 S- Sulfur atom anion s-  
196 S+ Sulfur atom cation s+  
197 Cr Chromium atom cr  
198 Se Selenium atom se  
199 Se- Selenium atom anion se-  
200 Se+ Selenium atom cation se+  
201 Te Tellurium atom te  
202 Te+ Tellurium atom cation te+  
203 DO Hydroxyl-d od  
204 OH Hydroxyl radical oh  
205 OH- hydroxide anion oh-  
206 OH+ hydoxyl cation oh+  
207 DS Mercapto-d ds  
208 HS- mercapto anion sh-  
209 HS+ sulfur monohydride cation sh+  
210 CrH Chromium hydride crh  
211 CrH+ Chromium hydride cation crh+  
212 HSe Selenium monohydride hse  
213 HSe- selenium monohydride anion hse-  
214 HSe+ selenium monohydride cation hse+  
215 TeH Telluryl radical teh  
216 D2O Deuterium oxide d2o  
217 H2O Water h2o  
218 H2O- water anion h2o-  
219 H2O+ water cation h2o+  
220 HDO Water-d1 hdo  
221 D2S Hydrogen sulfide-d2 d2s  
222 H2S- Hydrogen sulfide anion h2s-  
223 H2Se Hydrogen selenide h2se  
224 H2Se+ Hydrogen selenide cation h2se+  
225 H2Te Hydrogen Telluride h2te  
226 H3O+ hydronium cation h3o+  
227 H3Se+ Hydrogen Selenide, protonated h3se+  
228 F Fluorine atom f  
229 F- Fluorine atom anion f-  
230 F+ Fluorine atom cation f+  
231 Cl- Chlorine atom anion cl-  
232 Cl+ Chlorine atom cation cl+  
233 Mn Manganese atom mn  
234 Br Bromine atom br  
235 Br- Bromine atom anion br-  
236 Br+ Bromine atom cation br+  
237 I Iodine atom iodine  
238 I- Iodine atom anion iodine-  
239 I+ Iodine atom cation iodine+  
240 DF Hydrofluoric acid-d df  
241 HF Hydrogen fluoride hf  
242 HF- hydrogen fluoride anion hf-  
243 HF+ hydrogen fluoride cation hf+  
244 DCl Hydrochloric acid-d dcl  
245 HCl- hydrogen chloride anion hcl-  
246 HBr hydrogen bromide hbr  
247 HBr- hydrogen bromide anion hbr-  
248 HBr+ hydrogen bromide cation hbr+  
249 HI Hydrogen iodide hi  
250 HI+ Hydrogen iodide cation hi+  
251 H2F+ dihydrogen fluoride cation h2f+  
252 H2Br+ protonated hydrogen bromide h2br+  
253 H2I+ Iodonium h2i+  
254 Ne Neon atom ne  
255 Ne- Neon atom anion ne-  
256 Ne+ Neon atom cation ne+  
257 Ar Argon atom ar  
258 Ar- Argon atom anion ar-  
259 Ar+ Argon atom cation ar+  
260 Fe Iron atom fe  
261 Kr Krypton atom kr  
262 Kr+ Krypton cation kr+  
263 Xe Xenon atom xe  
264 HeLi+ Helium Lithium cation heli+  
265 NeH neon hydrogen neh  
266 NeH+ neon hydrogen cation neh+  
267 ArH+ Argon hydride cation arh+  
268 KrH+ Protonated Krypton krh+  
269 XeH+ Xenon, protonated xeh+  
270 H2Ar H2 Ar dimer h2ar  
271 Co Cobalt atom cobalt  
272 Ni Nickel atom ni  
273 Li2 Lithium diatomic li2  
274 Li2- lithium diatomic anion li2-  
275 Li2+ lithium diatomic cation li2+  
276 NaLi lithium sodium lina  
277 NaLi- lithium sodium anion lina-  
278 NaLi+ lithium sodium cation lina+  
279 LiK Lithium Potassium lik  
280 Na2 Sodium diatomic na2  
281 Na2- sodium diatomic anion na2-  
282 Na2+ sodium diatomic cation na2+  
283 NaK Sodium Potassium nak  
284 NaK+ Sodium Potassium diatomic cation nak+  
285 K2 Potassium diatomic k2  
286 Cu2 Copper diatomic cu2  
287 LiBe Lithium Beryllium libe  
288 LiMg Lithium magnesium limg  
289 NaBe Sodium Beryllium nabe  
290 NaMg Sodium Magnesium namg  
291 Be2 Beryllium diatomic be2  
292 Be2- Beryllium diatomic anion be2-  
293 Be2+ Beryllium diatomic cation be2+  
294 BeMg Beryllium Magnesium bemg  
295 Mg2 Magnesium diatomic mg2  
296 Mg2- magnesium diatomic anion mg2-  
297 Mg2+ magnesium diatomic cation mg2+  
298 Ca2 Calcium diatomic ca2  
299 LiB Lithium boride lib  
300 LiAl Lithium Aluminum lial  
301 NaAl Sodium aluminum naal  
302 BeB Beryllium monoboride beb  
303 B2 Boron diatomic b2  
304 B2- Boron diatomic anion b2-  
305 B2+ Boron diatomic cation b2+  
306 Al2 Aluminum diatomic al2  
307 Al2- aluminum diatomic anion al2-  
308 Al2+ aluminum diatomic cation al2+  
309 BGa Boron Gallium bga  
310 AlGa Aluminum Gallium alga  
311 Ga2 Gallium diatomic ga2  
312 HBBH Diborane(2) hbbh  
313 LiBH4 Lithium borohydride libh4  
314 B2H4 Diborane(4) D2d b2h4  
315 HBHHBH Diborane(4) C2V hbhhbh  
316 B2H6 Diborane b2h6  
317 B2H6+ Diborane cation b2h6  
318 Al2H6 dialane al2h6  
319 Ga2H6 digallane ga2h6  
320 LiC Lithium Carbide lic  
321 BeC Beryllium Carbide bec  
322 CaC Calcium monocarbide cac  
323 BC boron monocarbide bc  
324 BC- boron monocarbide anion bc-  
325 BC+ boron monocarbide cation bc+  
326 BSi Boron silicide bsi  
327 C2 Carbon diatomic c2  
328 C2- carbon diatomic anion c2-  
329 C2+ carbon diatomic cation c2+  
330 SiC silicon monocarbide sic  
331 SiC- silicon monocarbide anion sic-  
332 SiC+ silicon monocarbide cation sic+  
333 Si2 Silicon diatomic si2  
334 Si2- silcon diatomic anion si2-  
335 Si2+ silcon diatomic cation si2+  
336 GeC Germanium monocarbide gec  
337 SiGe Silicon Germanium sige  
338 Ge2 Germanium diatomic ge2  
339 C2H Ethynyl radical c2h  
340 C2H- Ethynyl anion c2h-  
341 C2H+ Ethynyl cation c2h+  
342 ZnCH2 Zinc methylene znch2  
343 CCH2 vinylidene vinylidene  
344 H2CC- vinylidene anion h2cc-  
345 HCCH- acetylene anion c2h2-  
346 Si2H2 disilyne si2h2  
347 CH3Li methyl lithium ch3li  
348 CuCH3 monomethyl copper cuch3  
349 ZnCH3 Zinc monomethyl znch3  
350 CH2BH methyleneborane ch2bh  
351 C2H3 vinyl c2h3  
352 C2H3- vinyl anion c2h3-  
353 C2H3+ vinyl cation c2h3+  
354 C2H4+ Ethylene cation c2h4+  
355 CH3CH methylmethylene ch3ch  
356 CH2SiH2 silaethylene ch2sih2  
357 Si2H4 Disilene si2h4  
358 CH3BH2 methylborane ch3bh2  
359 C2H5 Ethyl radical c2h5  
360 C2H5- Ethyl anion c2h5-  
361 C2H5+ Ethyl cation c2h5+  
362 C2H6+ ethane cation c2h6+  
363 CH3SiH3 methyl silane ch3sih3  
364 GeH3CH3 methyl germane geh3ch3  
365 C2H7+ Ethane, protonated c2h7+  
366 LiN Lithium Nitride lin  
367 LiN+ Lithium Nitride cation lin+  
368 LiP Lithium monophosphide lip  
369 BeN Beryllium mononitride ben  
370 BeN- Beryllium mononitride anion ben-  
371 BeN+ Beryllium mononitride cation ben+  
372 MgN Magnesium Nitride mgn  
373 BN- boron nitride anion bn-  
374 AlN- aluminum mononitride anion aln-  
375 AlN+ aluminum mononitride cation aln+  
376 BP Boron monophosphide bp  
377 AlP Aluminum monophosphide alp  
378 GaN Gallium mononitride gan  
379 GaP Gallium monophosphide gap  
380 GaAs Gallium arsenide gaas  
381 BN boron nitride bn  
382 BN+ boron nitride cation bn+  
383 AlN Aluminum nitride aln  
384 CN Cyano radical cn  
385 CN- cyanide anion cn-  
386 CN+ Cyano cation cn+  
387 CP Carbon monophosphide cp  
388 CP- carbon monophosphide anion cp-  
389 CP+ carbon monophosphide cation cp+  
390 SiN Silicon nitride sin  
391 SiN- silicon mononitride anion sin-  
392 SiN+ silicon mononitride cation sin+  
393 SiP- Silicon monophosphide anion sip-  
394 SiP+ Silicon monophosphide cation sip+  
395 TiN Titanium mononitride tin  
396 N2 Nitrogen diatomic n2  
397 N2- nitrogen diatomic anion n2-  
398 N2+ diatomic nitrogen cation n2+  
399 PN Phosphorus mononitride pn  
400 PN- phosphorus nitride anion pn-  
401 PN+ phosphorus nitride cation pn+  
402 P2 Phosphorus diatomic p2  
403 P2- phosphorus diatomic anion p2-  
404 P2+ phosphorus diatomic cation p2+  
405 AsN Arsenic mononitride asn  
406 AsP Arsenic monophosphide asp  
407 SbN Antimony nitride sbn  
408 As2 Arsenic diatomic as2  
409 HNB hydrogen nitrogen boron hnb  
410 HNC hydrogen isocyanide hnc  
411 HCN- Hydrogen cyanide anion hcn-  
412 HCN+ hydrogen cyanide cation hcn+  
413 HNC+ hydrogen isocyanide cation hnc+  
414 HCP Phosphaethyne hcp  
415 HCP+ Phosphaethyne cation hcp+  
416 NNH Dinitrogen monohydride nnh  
417 NNH+ Dinitrogen monohydride cation nnh+  
418 HPO Hydrogen phosphorus oxide hpo  
419 HPO+ Hydrogen phosphorus oxide cation hpo+  
420 LiNH2 lithium amide linh2  
421 HBNH Boranimine hbnh  
422 CNH2 Aminomethylidyne radical cnh2  
423 CNH2+ N-protonated hydrogen isocyanide cnh2+  
424 H2CN Dihydrogen cyanide radical h2cn  
425 H2CN+ hydrocyanonium cation h2cn+  
426 HCNH methyleneazane hcnh  
427 HCNH+ N-protonated HCN hcnh+  
428 H2NN Isodiazene h2nn  
429 N2H2 (E)-diazene n2h2  
430 N2H2 (Z)-Diazene n2h2z  
431 N2H2+ trans-diazene cation n2h2+  
432 CH2NH Methanimine ch3n  
433 CH2NH+ Methanimine cation ch2nh+  
434 CHNH2 aminomethylene chnh2  
435 CHNH2+ Aminocarbene cation chnh2+  
436 BH2NH2 Boranamine bh2nh2  
437 CH2NH2+ methyleneamine cation ch2nh2+  
438 N2H4+ hydrazine cation n2h4+  
439 P2H4 Diphosphine p2h4  
440 CH3NH2+ methyl amine cation ch3nh2+  
441 CH3PH2 Methyl phosphine ch3ph2  
442 SiH3NH2 Silane, amino sih3nh2  
443 N2H5+ protonated hydrazine n2h5+  
444 BH3NH3 borane ammonia bh3nh3  
445 CH3NH3 methyl ammonium radical ch3nh3  
446 CH3NH3+ protonated methylamine ch3nh3+  
447 CH3PH3+ methyl phosphine, protonated ch3ph3+  
448 N2H7+ ammonia ammonium dimer n2h7+  
449 LiO lithium oxide lio  
450 LiO- lithium oxide anion lio-  
451 LiO+ lithium oxide cation lio+  
452 LiS+ Lithium sulfide cation lis+  
453 NaO sodium monoxide nao  
454 NaO- sodium oxide anion nao-  
455 NaO+ sodium oxide cation nao+  
456 KO Potassium monoxide ko  
457 KO+ Potassium monoxide cation ko+  
458 NaS Sodium sulfide nas  
459 CuO Copper Monoxide cuo  
460 LiSe Lithium monoselenide lise  
461 BeO beryllium oxide beo  
462 BeO- Beryllium monoxide anion beo-  
463 BeO+ Beryllium monoxide cation beo+  
464 BeS beryllium sulfide bes  
465 MgO magnesium oxide mgo  
466 MgO- magnesium oxide anion mgo-  
467 MgO+ magnesium oxide cation mgo+  
468 CaO Calcium monoxide cao  
469 MgS magnesium sulfide mgs  
470 MgS- magnesium sulfide anion mgs-  
471 MgS+ magnesium sulfide cation mgs+  
472 ZnO zinc monoxide zno  
473 ZnS Zinc sulfide zns  
474 BeS- Beryllium monosulfide anion bes-  
475 BeS+ Beryllium monosulfide cation bes+  
476 BO boron monoxide bo  
477 BO- boron monoxide anion bo-  
478 AlO Aluminum monoxide alo  
479 AlO- Aluminum monoxide anion alo-  
480 AlO+ aluminum monoxide cation alo+  
481 BS boron sulfide bs  
482 BS- boron monosulfide anion bs-  
483 BS+ boron monosulfide cation bs+  
484 AlS Aluminum sulfide als  
485 AlS- aluminum monosulfide anion als-  
486 AlS+ aluminum monosulfide cation als+  
487 ScO Scandium monoxide sco  
488 GaO Gallium monoxide gao  
489 GaS Gallium monosulfide gas  
490 BO+ boron monoxide cation bo+  
491 CO Carbon monoxide co  
492 CO- carbon monoxide anion co-  
493 CO+ carbon monoxide cation co+  
494 CS carbon monosulfide cs  
495 CS- carbon monosulfide anion cs-  
496 CS+ carbon monosulfide cation cs+  
497 SiO Silicon monoxide sio  
498 SiO- silicon monoxide anion sio-  
499 SiO+ silicon monoxide cation sio+  
500 SiS silicon monosulfide sis  
501 SiS- silicon monosulfide anion sis-  
502 SiS+ silicon monosulfide cation sis+  
503 TiO Titanium monoxide tio  
504 CSe Carbon monoselenide cse  
505 CSe- Carbon monoselenide anion cse-  
506 CSe+ Carbon monoselenide cation cse+  
507 GeO+ Germanium monoxide cation geo+  
508 GeS Germanium monosulfide ges  
509 SiSe+ Silicon Monoselenide cation sise+  
510 GeSe Germanium monoselenide gese  
511 NO Nitric oxide no  
512 NO- nitric oxide anion no-  
513 NO+ nitric oxide cation no+  
514 NS Mononitrogen monosulfide ns  
515 NS- nitrogen sulfide anion ns-  
516 NS+ nitrogen sulfide cation ns+  
517 PO- phosphorus monoxide anion po-  
518 PO+ phosphorus monoxide cation po+  
519 PS- phosphorus monosulfide anion ps-  
520 PS+ phosphorus monosulfide cation ps+  
521 VO Vanadium monoxide vo  
522 AsO Arsenic monoxide aso  
523 NSe Nitrogen monoselenide nse  
524 AsS Arsenic monosulfide ass  
525 PSe Phosphorus monoselenide pse  
526 AsSe Arsenic monoselenide asse  
527 O2 Oxygen diatomic o2  
528 O2- oxygen diatomic anion o2-  
529 O2-- dioxygen dianion o2--  
530 O2+ diatomic oxygen cation o2+  
531 SO- sulfur monoxide anion so-  
532 SO+ sulfur monoxide cation so+  
533 S2- sulfur diatomic anion s2-  
534 SeO Selenium monoxide seo  
535 SeO- selenium monoxide anion seo-  
536 SeO+ selenium monoxide cation seo+  
537 SeS Selenium monosulfide ses  
538 SeS- selenium monosulfide anion ses-  
539 SeS+ selenium monosulfide cation ses+  
540 TeO Tellurium monoxide teo  
541 Se2- selenium diatomic anion se2-  
542 Se2+ selenium diatomic cation se2+  
543 Te2 Tellurium diatomic te2  
544 LiOH lithium hydroxide lioh  
545 NaOH sodium hydroxide naoh  
546 KOH Potassium hydroxide koh  
547 BeOH beryllium monohydroxide beoh  
548 MgOH magnesium hydroxide mgoh  
549 CaOH Calcium monohydroxide caoh  
550 HBO Boron hydride oxide hbo  
551 HBS hydrogen boron sulfide hbs  
552 COH Hydroxymethylidyne coh  
553 COH+ Carbon Monoxide, protonated coh+  
554 HCO Formyl radical hco  
555 HCO- formyl anion hco-  
556 HCO+ Formyl cation hco+  
557 HCS Thioformyl radical hcs  
558 HCS- Thioformyl anion hcs-  
559 HCS+ Thioformyl cation hcs+  
560 HNO Nitrosyl hydride hno  
561 HNO- Nitrosyl hydride anion hno-  
562 HNO+ Nitrosyl hydride cation hno+  
563 NOH Hydroxyimidogen noh  
564 NOH+ O-protonated nitric oxide noh+  
565 HNS Sulfur imide hns  
566 HNS- Sulfur imide anion hns-  
567 HO2 Hydroperoxy radical ho2  
568 HO2- Hydroperoxy anion ho2-  
569 HO2+ Hydroperoxy cation ho2+  
570 HS2 Thiosulfeno radical hs2  
571 H2CO- formaldehyde anion h2co-  
572 HOCH hydroxycarbene hoch  
573 H2CS- thioformaldehyde anion h2cs-  
574 H2CS+ thioformaldehyde cation h2cs+  
575 H2NO nitroxide h2no  
576 H2O2 Hydrogen peroxide h2o2  
577 H2O2+ Hydrogen peroxide cation h2o2+  
578 H2OO water oxide h2oo  
579 HOSH hydrogen thioperoxide hosh  
580 H2Se2 hydrogen diselenide h2se2  
581 CH2OH Hydroxymethyl radical ch2oh  
582 CH2OH+ hydroxymethyl cation ch2oh+  
583 CH3O Methoxy radical ch3o  
584 CH3O- methoxy anion ch3o-  
585 CH3O+ Methoxy cation ch3o+  
586 CH3S thiomethoxy ch3s  
587 NH2OH hydroxylamine nh2oh  
588 NH2OH+ Hydroxylamine cation nh2oh+  
589 NH3O Ammonia Oxide nh3o  
590 NH2SH Thiohydroxylamine nh2sh  
591 NH3S sulfidoazane nh3s  
592 H3O2+ hydrogen peroxide, protonated h3o2+  
593 CH3OH- Methyl alcohol anion ch3oh-  
594 CH3OH+ Methyl alcohol cation ch3oh+  
595 CH3SH+ Methanethiol cation ch3sh+  
596 SiH3OH silanol sih3oh  
597 CH3SeH Methane selenol ch3seh  
598 NH2OH2+ protonated hydroxylamine nh2oh2+  
599 NH3OH+ N-protonated hydroxylamine nh3oh+  
600 H2OH2O water dimer h2oh2o  
601 CH3OH2+ Methanol, protonated ch3oh2+  
602 H5O2+ Dihydroxonium ion h5o2+  
603 LiF lithium fluoride lif  
604 LiCl- lithium chloride anion licl-  
605 LiCl+ lithium chloride cation licl+  
606 NaF sodium fluoride naf  
607 NaF- sodium fluoride anion naf-  
608 NaF+ sodium fluoride cation naf+  
609 KF Potassium Fluoride kf  
610 NaCl Sodium Chloride nacl  
611 NaCl- sodium chloride anion nacl-  
612 NaCl+ sodium chloride cation nacl+  
613 KCl Potassium Chloride kcl  
614 CuF Copper monofluoride cuf  
615 LiBr Lithium Bromide libr  
616 LiBr- lithium bromide anion libr-  
617 LiBr+ lithium bromide cation libr+  
618 CuCl Copper monochloride cucl  
619 NaBr Sodium Bromide nabr  
620 NaBr- sodium bromide anion nabr-  
621 NaBr+ sodium bromide cation nabr+  
622 KBr Potassium Bromide kbr  
623 LiI Lithium Iodide lii  
624 NaI Sodium Iodide nai  
625 KI Potassium Iodide ki  
626 LiF- lithium fluoride anion lif-  
627 LiF+ lithium fluoride cation lif+  
628 BeF Beryllium monofluoride bef  
629 BeF- Beryllium monofluoride anion bef-  
630 BeF+ Beryllium monofluoride cation bef+  
631 BeCl beryllium monochloride becl  
632 MgF Magnesium monofluoride mgf  
633 MgF- magnesium fluoride anion mgf-  
634 MgF+ magnesium fluoride cation mgf+  
635 CaF Calcium monofluoride caf  
636 MgCl magnesium monochloride mgcl  
637 MgCl- magnesium monochloride anion mgcl-  
638 MgCl+ magnesium monochloride cation mgcl+  
639 CaCl calcium monochloride cacl  
640 TiCl Titanium Monochloride ticl  
641 ZnF Zinc monofluoride znf  
642 ZnF- Zinc monofluoride anion znf-  
643 ZnF+ Zinc monofluoride cation znf+  
644 ZnCl Zinc monochloride zncl  
645 CaBr Calcium monobromide cabr  
646 BeCl- beryllium monochloride anion becl-  
647 BeCl+ beryllium monochloride cation becl+  
648 BF Boron monofluoride bf  
649 BF- Boron monofluoride anion bf-  
650 BF+ Boron monofluoride cation bf+  
651 AlF Aluminum monofluoride alf  
652 AlF- Aluminum monofluoride anion alf-  
653 AlF+ Aluminum monofluoride cation alf+  
654 BCl boron monochloride bcl  
655 BCl- boron monochloride anion bcl-  
656 BCl+ boron monochloride cation bcl+  
657 AlCl- aluminum monochloride anion alcl-  
658 AlCl+ aluminum monochloride cation alcl+  
659 ScF Scandium monofluoride scf  
660 BBr Boron monobromide bbr  
661 GaF Gallium monofluoride gaf  
662 GaF+ Gallium monofluoride cation gaf+  
663 AlBr Aluminum monobromide albr  
664 GaCl Gallium monochloride gacl  
665 GaCl+ Gallium monochloride cation gacl+  
666 AlI Aluminum monoiodide ali  
667 GaBr Gallium monobromide gabr  
668 CF Fluoromethylidyne cf  
669 CF- carbon monofluoride anion cf-  
670 CF+ carbon monofluoride cation cf+  
671 CCl carbon monochloride ccl  
672 CCl- carbon monochloride anion ccl-  
673 CCl+ carbon monochloride cation ccl+  
674 SiF- silicon monofluoride anion sif-  
675 SiCl Clorosilylidyne sicl  
676 SiCl- silicon monochloride anion sicl-  
677 SiCl+ silicon monochloride cation sicl+  
678 CBr Carbon monobromide cbr  
679 GeF Germanium monofluoride gef  
680 GeF+ Germanium monofluoride cation gef+  
681 GeCl Germanium monochloride gecl  
682 GeCl+ Germanium monochloride cation gecl+  
683 SiBr Silicon monobromide sibr  
684 SiBr+ Silicon monobromide cation sibr+  
685 NF nitrogen fluoride nf  
686 NF- nitrogen monofluorine anion nf-  
687 NF+ nitrogen monofluoirde cation nf+  
688 NCl- nitrogen monochloride anion ncl-  
689 NCl+ nitrogen monochloride cation ncl+  
690 PF phosphorus monofluoride pf  
691 PF- phosphorus monofluoride anion pf-  
692 PF+ phosphorus monofluoride cation pf+  
693 PCl phosphorus chloride pcl  
694 PCl- phosphorus monochloride anion pcl-  
695 PCl+ phosphorus monochloride cation pcl+  
696 AsF Arsenic monofluoride asf  
697 NBr nitrogen monobromide nbr  
698 AsCl Arsenic monochloride ascl  
699 PBr Phosphorus monobromide pbr  
700 SbF Antimony monofluoride sbf  
701 SbCl Antimony monochloride sbcl  
702 FO Oxygen monofluoride fo  
703 FO- flourine oxide anion fo-  
704 FO+ fluorine monoxide cation fo+  
705 ClO- chlorine monoxide anion clo-  
706 ClO+ chlorine monoxide cation clo+  
707 SF- sulfur monofluoride anion sf-  
708 SCl- sulfur monochloride anion scl-  
709 BrO Bromine monoxide bro  
710 BrO- Bromine monoxide anion bro-  
711 BrO+ Bromine monoxide cation bro+  
712 SeF Selenium monofluoride sef  
713 SBr+ Sulfur monobromide cation sbr+  
714 SeCl Selenium monochloride secl  
715 IO Iodine monoxide io  
716 SeBr Selenium monobromide sebr  
717 BrCl Bromine monochloride brcl  
718 F2 Fluorine diatomic f2  
719 F2- flourine diatomic anion f2-  
720 F2+ flourine diatomic cation f2+  
721 ClF Chlorine monofluoride clf  
722 ClF- clorine monofluoride anion clf-  
723 ClF+ clorine monofluoride cation clf+  
724 Cl2 Chlorine diatomic cl2  
725 BrF Bromine monofluoride brf  
726 BrF- bromine fluoride anion brf-  
727 BrF+ bromine fluoride cation brf+  
728 BrCl- bromine chloride anion brcl-  
729 BrCl+ bromine chloride cation brcl+  
730 IF Iodine monofluoride if  
731 Br2 Bromine diatomic br2  
732 Br2- bromine diatomic anion br2-  
733 Br2+ bromine diatomic cation br2+  
734 ICl Iodine monochloride icl  
735 IBr Iodine monobromide ibr  
736 I2 Iodine diatomic i2  
737 I2+ Iodine diatomic cation i2+  
738 HCF Fluoromethylene hcf  
739 HCCl Chloromethylene hccl  
740 HSiF fluorosilylene hsif  
741 HSiCl Chlorosilylene hsicl  
742 HSiBr monobromosilylene hsibr  
743 CHBr bromomethylene chbr  
744 HOF Hypofluorous acid hfo  
745 DOCl Hypochlorous acid-d docl  
746 HOCl hypochlorous acid hocl  
747 HOCl+ hypochlorous acid cation hocl+  
748 HOBr Hypobromous acid hobr  
749 HOBr+ Hypobromous acid cation hobr+  
750 HOI Hypoiodous acid hoi  
751 F2H+ Fluorine, protonated f2h+  
752 FHF Hydrogen difluoride fhf  
753 FHF- Hydrogen difluoride anion fhf-  
754 ClFH+ Chlorine fluoride, F-protonated clfh+  
755 FClH+ Chlorine fluoride, Cl-protonated fclh+  
756 Cl2H+ Chlorine, protonated cl2h+  
757 CH2Br bromomethyl radical ch2br  
758 CH2F fluoromethyl radical ch2f  
759 CH2F+ fluoromethyl cation ch2f+  
760 CH2Cl+ chloromethyl cation ch2cl+  
761 CH2Cl chloromethyl radical ch2cl  
762 NH2F monofluoroamine nh2f  
763 NH2Cl chloramine nh2cl  
764 H2F2 Hydrogen fluoride dimer h2f2  
765 CH3F+ methyl fluoride cation ch3f+  
766 CD3F methylfluoride-d3 cd3f  
767 CH3F Methyl fluoride ch3f  
768 CD3Cl methyl chloride d3 cd3cl  
769 CH3Cl+ Methyl chloride cation ch3cl+  
770 SiH3F monofluorosilane sih3f  
771 CH3Br methyl bromide ch3br  
772 GeH3F monofluorogermane geh3f  
773 GeH3Cl monochlorogermane geh3cl  
774 SiH3Br bromosilane sih3br  
775 CH3I methyl iodide ch3i  
776 SiH3I Silyl Iodide sih3i  
777 NH3Cl+ protonated monochloroammonia nh3cl+  
778 CH3ClH+ methyl chloride, protonated ch3clh+  
779 NH4Cl Ammonium chloride nh4cl  
780 LiNe+ Lithium Neon cation line+  
781 Ne2 Neon diatomic ne2  
782 Ne2+ Neon diatomic cation ne2+  
783 Ar2 Argon diatomic ar2  
784 Ar2+ Argon diatomic cation ar2+  
785 Li3 Lithium trimer li3  
786 Li3+ Lithium trimer cation li3+  
787 C3 carbon trimer c3  
788 C3+ carbon trimer cation c3+  
789 SiC2 Silicon dicarbide sic2  
790 C3H3 cyclopropenyl radical cpr  
791 C3H3 Propargyl radical propargyl  
792 C3H3- Propargyl anion c3h3-  
793 C3H3+ cyclopropenyl cation cpr+  
794 C3H3+ Propargyl cation c3h3+  
795 C3H4 cyclopropene cprop  
796 CH2CCH2 allene allene  
797 C3H5 Allyl radical allyl  
798 C3H5+ Allyl cation allyl+  
799 CH3CHCH 1-propenyl radical ch3chch  
800 Zn(CH3)2 dimethyl zinc dmz  
801 C3H7 n-Propyl radical npropyl  
802 C3H7+ cyclopropane, protonated c3h7+  
803 CH3CHCH3 Isopropyl radical isopropyl  
804 CH3CHCH3+ Isopropyl cation prop2yl+  
805 SiH2(CH3)2 dimethylsilane dms  
806 LiCN lithium cyanide licn  
807 NaCN Sodium Cyanide nacn  
808 KCN Potassium cyanide kcn  
809 CuCN Copper cyanide cucn  
810 ZnCN Zinc monocyanide zncn  
811 ZnNC Zinc isocyanide znnc  
812 AlCN Aluminum monocyanide alcn  
813 AlNC Aluminum isocyanide alnc  
814 CN2 3H-Diazirin-3-ylidene cn2  
815 CNN Diazocarbene cnn  
816 NCN Cyanoimidogen ncn  
817 N3 azide radical n3  
818 N3- azide anion n3-  
819 N3+ azide cation n3+  
820 HCCN cyanomethylene hccn  
821 HCNN diazomethyl radical hcnn  
822 HN3 hydrogen azide hn3  
823 HN3+ Hydrazoic acid cation hn3+  
824 HNCNH diiminomethane hncnh  
825 CH2N2 diazirine ch2n2  
826 NH2CN cyanamide cyanamide  
827 HNNNH+ 1,2-Triazadienium n2h3+  
828 NH2NN+ hydrazoic acid, protonated nh2nn+  
829 CH3CN- acetonitrile anion ch3cn-  
830 CH3CN+ Acetonitrile cation ch3cn+  
831 CH3NC methyl isocyanide ch3nc  
832 CHNCH2 2H-Azirine c157164  
833 CHNHCH 1H-Azirine chnhch  
834 H2CCNH Ethenimine ch2cnh  
835 H2CNCH methyleneaminomethylene ch2nch  
836 HCCNH2 Ethynamine hccnh2  
837 HCNCH2+ 2H-Azirine cation hcnch2+  
838 HNCNH2+ diiminomethane, protonated hncnh2+  
839 NCNH3+ Cyanamide, protonated ncnh3+  
840 NH2CNH+ cyanamide, cn protonated nh2cnh+  
841 NH3CN+ cyanamide, amine protonated nh3cn+  
842 CH2CHNH vinylazine ch2chnh  
843 CH3CHN methylmethaniminyl radical ch3chn  
844 CH2CHNH2 aminoethene aminoethene  
845 CH2NCH3 N-methylmethanimine nmm  
846 CH3CHNH ethanimine ethanimine  
847 NH2BHNH2 diaminoborane nh2bhnh2  
848 C2H5NH+ Protonated Aziridine c2h5nh+  
849 C2H6N+ aziridine, protonated c2h6n+  
850 NH2CH2NH2 diaminomethane nh2ch2nh2  
851 CH3PHCH3 dimethylphosphine ch3phch3  
852 NH2CH2NH3+ diaminoethane, protonated pdam  
853 (CH3)2NH2+ dimethylammonium cation dmam  
854 CH3CH2NH3+ ethylamine, protonated pea  
855 Li2O dilithium oxide li2o  
856 Li2O+ dilithium oxide cation li2o+  
857 Na2O disodium monoxide na2o  
858 Na2S Sodium sulfide na2s  
859 LiO2 Lithium dioxide lio2  
860 NaO2 Sodium superoxide nao2  
861 CCO Dicarbon monoxide cco  
862 CNO- fulminate cno-  
863 NCO isocyanato radical nco  
864 NCO- cyanate nco-  
865 SCN thiocyanato radical scn  
866 SCN- thiocyanide anion scn-  
867 BO2 Boron dioxide bo2  
868 BO2- Boron dioxide anion bo2-  
869 BO2+ Boron dioxide cation bo2+  
870 N2O Nitrous oxide n2o  
871 N2O- Nitrous oxide anion n2o-  
872 N2O+ Nitrous oxide cation n2o+  
873 PPO Phosphorus oxide phosphide ppo  
874 OCS+ Carbonyl sulfide cation cos+  
875 SiO2 silicon dioxide sio2  
876 CS2 Carbon disulfide cs2  
877 CS2- Carbon disulfide anion cs2-  
878 CS2+ Carbon disulfide cation cs2+  
879 TiO2 Titanium dioxide tio2  
880 GeO2 Germanium dioxide geo2  
881 OCSe Carbonyl selenide ocse  
882 SCSe Carbon sulfide selenide scse  
883 GeS2 Germanium disulfide ges2  
884 CSe2 Carbon diselenide cse2  
885 SCTe Carbon sulfide Telluride scte  
886 NO2 Nitrogen dioxide no2  
887 NO2- Nitrogen dioxide anion no2-  
888 NO2+ Nitrogen dioxide cation no2+  
889 PO2 Phosphorus dioxide po2  
890 PO2- Phosphorus dioxide anion po2-  
891 PO2+ Phosphorus dioxide cation po2+  
892 AsO2 Aresenic dioxide aso2  
893 O3 Ozone o3  
894 O3- Ozone anion o3-  
895 O3+ Ozone cation o3+  
896 SO2- Sulfur dioxide anion so2-  
897 SO2+ Sulfur dioxide cation so2+  
898 SSO Disulfur monoxide sso  
899 S3- Sulfur trimer anion s3-  
900 SeO2 Selenium dioxide seo2  
901 SeO2+ Selenium dioxide cation seo2+  
902 TeO2 Tellurium Dioxide teo2  
903 HCCO ketenyl radical ketenyl  
904 CS2H+ Carbon disulfide, protonated cs2h+  
905 HCNO fulminic acid hcno  
906 HOCN cyanic acid hocn  
907 HNCS Isothiocyanic acid hncs  
908 HSCN thiocyanic acid hscn  
909 HCO2- formate anion hco2-  
910 HNNO nitrosoazane hnno  
911 HNNO+ Nitrous oxide, N-protonated hnno+  
912 NNOH+ Nitrous Oxide, O-protonated nnoh+  
913 HCOO formate neutral radical hcoo  
914 HOCO Hydrocarboxyl radical hoco  
915 HOCO+ Hydrocarboxyl cation hoco+  
916 HNO2 Nitrous acid hno2  
917 HNO2+ nitrous acid cation hno2+  
918 O3H+ protonated ozone o3h+  
919 SO2H+ protonated sulfur dioxide so2h+  
920 C2H2O Oxirene oxirene  
921 CH2CO Ketene ch2co  
922 CH2CO+ Ketene cation ch2co+  
923 HCCOH ethynol hccoh  
924 Be(OH)2 Beryllium hydroxide beo2h2  
925 Mg(OH)2 Magnesium dihydroxide h2mgo2  
926 NH2NO Nitrosamide nh2no  
927 H2COO Dioxymethyl radical h2coo  
928 H2COO+ dioxymethyl cation h2coo+  
929 H2O3 Hydrogen trioxide h2o3  
930 NaOCH3 Sodium methoxide naoch3  
931 CH2BOH hydroxy(methylene)borane ch2boh  
932 BH3CO Borane carbonyl bh3co  
933 CH3BO Borane, methyloxo- ch3bo  
934 CH2CHO Vinyloxy radical ch2cho  
935 CH2COH+ ketene, protonated ch2coh+  
936 CH3CO Acetyl radical ch3co  
937 CH3CO- Acetyl anion ch3co-  
938 CH3CO+ acetyl cation ch3co+  
939 CH2NOH formaldoxime ch2noh  
940 CH3NO nitrosomethane ch3no  
941 CNOH3 1,2-oxaziridine cnoh3  
942 HOCHNH hydroxymethylimine hochnh  
943 CHSNH2 thioformamide chsnh2  
944 NHCHSH Methanimidothioic acid nhchsh  
945 CH2OOH CH2OOH radical ch2ooh  
946 CH3OO methylperoxy radical ch3oo  
947 CH3OO- methylperoxy anion ch3oo-  
948 CH3OO+ methylperoxy cation ch3oo+  
949 C2H4O+ ethylene oxide cation c2h4o+  
950 CH2CHOH ethenol ch2choh  
951 CH3CHO+ acetaldehyde cation ch3cho+  
952 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
953 CH2CHSH Ethenethiol ch2chsh  
954 H2CONH2+ protonated formamide h2conh2+  
955 NH2CHOH+ Formamide, O-protonated nh2choh+  
956 NH3CHO+ Formamide, N-Protonated nh3cho+  
957 CH2(OH)2 methanediol ch2o2h2  
958 CH3OOH Methyl peroxide ch3ooh  
959 HSCH2SH Methanedithiol ch4s2  
960 C2H4OH+ ethylene oxide, protonated c2h4oh+  
961 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
962 CH3CH2O Ethoxy radical ethoxy  
963 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
964 CH3CHOH+ acetaldehyde, protonated ch3choh+  
965 CH3OCH2 methoxymethyl radical ch3och2  
966 NH2CH2OH aminomethanol nh2ch2oh  
967 CH3SCH3 Dimethyl sulfide mesme  
968 CH3SCH3+ dimethyl sulfide cation mesme+  
969 CH3SeCH3 dimethylselenide dmse  
970 CH3OHH2O methanol water dimer ch3ohh2o  
971 CuF2 Copper difluoride cuf2  
972 ZnF2 Zinc difluoride znf2  
973 CNF iso cyanogen fluoride cnf  
974 FCN Cyanogen fluoride fcn  
975 ClCN chlorocyanogen clcn  
976 BrCN Cyanogen bromide brcn  
977 ICN Cyanogen iodide icn  
978 FBO Boron monofluoride monoxide fbo  
979 BeF2 Beryllium fluoride bef2  
980 MgF2 Magnesium fluoride mgf2  
981 BeCl2 Beryllium chloride becl2  
982 MgCl2 Magnesium dichloride mgcl2  
983 CaCl2 Calcium Chloride cacl2  
984 ZnCl2 Zinc dichloride zncl2  
985 BeBr2 Beryllium bromide bebr2  
986 CaBr2 Calcium dibromide cabr2  
987 CaF2 Calcium difluoride caf2  
988 FCO Carbonyl fluoride fco  
989 FCO+ Carbonyl fluoride cation fco+  
990 ClCO carbonyl monochloride clco  
991 BF2 Boron difluoride radical bf2  
992 FNO Nitrosyl fluoride fno  
993 ClNO Nitrosyl chloride clno  
994 BrNO Nitrosyl bromide brno  
995 INO Nitrosyl iodide ino  
996 CF2 Difluoromethylene cf2  
997 CF2- Difluoromethylene anion cf2-  
998 CF2+ Difluoromethylene cation cf2+  
999 CFCl chlorofluoromethylene cfcl  
1000 SiF2 Silicon difluoride sif2  
1001 SiF2+ Silicon difluoride cation sif2+  
1002 CCl2 dichloromethylene ccl2  
1003 CCl2- dichloromethylene anion ccl2-  
1004 CCl2+ dichloromethylene cation ccl2+  
1005 SiCl2 Dichlorosilylene sicl2  
1006 GeF2 Germanium difluoride gef2  
1007 CBr2 dibromomethylene cbr2  
1008 FOO Dioxygen monofluoride radical foo  
1009 FOO+ Fluorine dioxide cation foo+  
1010 ClOO chloroperoxy radical cloo  
1011 ClOO+ chloroperoxy cation cloo+  
1012 OClO- Chlorine dioxide anion oclo-  
1013 OClO+ Chlorine dioxide cation oclo+  
1014 ClS2 Sulfur chloride cls2  
1015 BrOO Bromine dioxide broo  
1016 OBrO Bromine dioxide radical obro  
1017 NF2 Difluoroamino radical nf2  
1018 NF2+ Difluoroamino cation nf2+  
1019 PF2 Phosphorus difluoride pf2  
1020 PF2+ Phosphorus difluoride cation pf2+  
1021 F2O Difluorine monoxide f2o  
1022 SF2- sulfur difluoride anion sf2-  
1023 SF2+ sulfur difluoride cation sf2+  
1024 Cl2O Dichlorine monoxide cl2o  
1025 SeF2 Selenium difluoride sef2  
1026 BrOCl Bromine hypochlorite brocl  
1027 BrOBr Bromine oxide brobr  
1028 F3- trifluoride anion f3-  
1029 Cl3- trichloride anion cl3-  
1030 Br3- tribromide anion br3-  
1031 I3- triiodide i3-  
1032 SFCl Sulfur chloride fluoride sfcl  
1033 HCCF Fluoroacetylene hccf  
1034 HCCF+ fluoroacetylene cation hccf+  
1035 HCCCl Chloroacetylene hcccl  
1036 HCCBr bromoacetylene hccbr  
1037 HFCO formyl fluoride hfco  
1038 HFCO+ formyl fluoride cation hfco+  
1039 COHCl Formyl chloride cohcl  
1040 COHBr Formyl bromide cohbr  
1041 BHF2 Difluoroborane bhf2  
1042 BHCl2 Borane, dichloro- bhcl2  
1043 CHCl2 dichloromethyl radical chcl2  
1044 CHF2 difluoromethyl radical chf2  
1045 CHF2+ difluoromethyl cation chf2+  
1046 CHFCl Chlorofluoromethyl radical chfcl  
1047 CHFCl+ Chlorofluoromethyl cation chfcl+  
1048 CHCl2+ dichloromethyl cation chcl2+  
1049 CHBr2 dibromomethyl radical chbr2  
1050 HOClO Chlorous acid hoclo  
1051 NHF2 difluoramine nhf2  
1052 NHCl2 dichloroamine nhcl2  
1053 CH2FCl fluorochloromethane ch2fcl  
1054 SiH2F2 difluorosilane sih2f2  
1055 CH2BrF Methane, bromofluoro- ch2fbr  
1056 CH2BrCl Methane, bromochloro- ch2clbr  
1057 CH2FI fluoroiodomethane ch2fi  
1058 CH2Br2 dibromomethane ch2br2  
1059 CH2ClI chloroiodomethane ch2cli  
1060 CH2BrI bromoiodomethane ch2bri  
1061 CH2I2 Diiodomethane ch2i2  
1062 SiH2Cl2 dichlorosilane sih2cl2  
1063 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1064 CH2CHF+ fluoroethene cation ch2chf+  
1065 C2H3Cl Ethene, chloro- ch2chcl  
1066 C2H3Br vinyl bromide c2h3br  
1067 C2H3I Vinyl iodide c2h3i  
1068 CH2FOH fluoromethanol ch2foh  
1069 CH3OCl methyl hypochlorite ch3ocl  
1070 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1071 CHClCH3 1-chloroethyl radical chclch3  
1072 CH3CH2Cl Ethyl chloride c2h5cl  
1073 CH3SiFH2 fluoromethylsilane ch3sifh2  
1074 C2H5Br Ethyl bromide etbr  
1075 C2H5I Ethyl iodide c2h5i  
1076 KrF2 Krypton difluoride krf2  
1077 XeF2 Xenon difluoride xef2  
1078 B4H10 Tetraborane(10) b4h10  
1079 C4 Carbon tetramer c4  
1080 C4+ Carbon tetramer cation c4+  
1081 C4H2 Diacetylene c4h2  
1082 C4H2+ diacetlyene cation c4h2+  
1083 C2H3CCH 1-Buten-3-yne c2h3cch  
1084 C4H4 cyclobutadiene cbd  
1085 C4H4 Tetrahedrane c4h4  
1086 H2CCCCH2 Butatriene h2cccch2  
1087 C4H6 1-Methylcyclopropene c3100047  
1088 C4H6 Cyclobutene c822355  
1089 C4H6 Methylenecyclopropane c6142730  
1090 CH2CCHCH3 1,2-Butadiene butad12  
1091 CH3CCCH3 2-Butyne c503173  
1092 CHCCH2CH3 1-Butyne c107006  
1093 CH3CHCHCH2 methylallyl radical c4h7  
1094 C4H8 methylcyclopropane mcp  
1095 CH3CHCHCH3 2-Butene, (E)- bute2e  
1096 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1097 B(CH3)3 trimethylborane bme3  
1098 Al(CH3)3 trimethyl aluminum tma  
1099 C(CH3)3 Tert-butyl radical tbutyl  
1100 CH2CH(CH3)2 Isobutyl radical isobutyl  
1101 CH3CHCH2CH3 2-Butyl radical butyl2  
1102 SiH(CH3)3 trimethylsilane trimsi  
1103 Li3N trilithium nitride li3n  
1104 C2N2 Cyanogen c2n2  
1105 C2N2+ Cyanogen cation c2n2+  
1106 P4 Phosphorus tetramer p4  
1107 As4 Arsenic tetramer as4  
1108 HCCCN Cyanoacetylene hcccn  
1109 HCCCN+ Cyanoacetylene cation hcccn+  
1110 H2CNCN cyanamide, methylene ch2ncn  
1111 HNCCNH Ethenediimine hnccnh  
1112 C3H3N+ acrylonitrile cation ch2chcn+  
1113 CH3N3 methyl azide ch3n3  
1114 NH2CCNH2 Diaminoacetylene daa  
1115 NH2CH2CN Aminoacetonitrile aan  
1116 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1117 C2H5CN ethyl cyanide c2h5cn  
1118 CH5N3 Guanidine guanidine  
1119 C4H6 Bicyclo[1.1.0]butane c157335  
1120 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1121 H2NCHCHNH2 diaminoethylene dae  
1122 CH6N3+ guanidinium ch6n3+  
1123 C3H7N Cyclopropylamine cpram  
1124 CH7N3 triaminomethane tam  
1125 C3H7N Azetidine azet  
1126 CH3NHNHCH3 dimethyl hydrazine dmh  
1127 NH2CH2CH2CH3 1-Propanamine pram1  
1128 P(CH3)3 trimethylphosphine tmp  
1129 N(SiH3)3 trisilylamine tsa  
1130 As(CH3)3 trimethyl arsine tmas  
1131 (CH3)3NH+ protonated trimethyl amine ptma  
1132 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1133 Li2O2 dilithium dioxide li2o2  
1134 Na2O2 disodium dioxide na2o2  
1135 K2O2 dipotassium dioxide k2o2  
1136 C3O Tricarbon monoxide c3o  
1137 B2O2 Diboron dioxide b2o2  
1138 ONNO NO dimer onno  
1139 CO3 Carbon trioxide co3  
1140 CO3-- carbonate co3--  
1141 NO3 Nitrogen trioxide no3  
1142 NO3- nitrate anion no3-  
1143 NO3+ nitrogen trioxide cation no3+  
1144 SO3- Sulfur trioxide anion so3-  
1145 SO3-- Sulfate dianion so3--  
1146 SO3+ Sulfur trioxide cation so3+  
1147 SeO3 selenium trioxide seo3  
1148 TeO3 Tellurium trioxide teo3  
1149 HCO3- bicarbonate anion hco3-  
1150 HNO3 Nitric acid hno3  
1151 HSO3 Hydroxysulfonyl radical hso3  
1152 NH2NO2 nitramide nh2no2  
1153 C2H2CO cyclopropenone c2h2co  
1154 C3H2O Propadienal c3h2o  
1155 HCCCHO 2-propynal hcccho  
1156 C2H2O2+ Ethanedial cation c2h2o2+  
1157 H2CO3 Carbonic acid h2co3  
1158 H2CS3 thiocarbonic acid h2cs3  
1159 H2NO3+ Nitric Acid, Protonated h2no3+  
1160 H2SO3 Sulfurous acid h2so3  
1161 C2H3NO Nitrosoethylene c2h3no  
1162 CH3NCO methylisocyante ch3nco  
1163 HOCH2CN cyanomethanol hoch2cn  
1164 CH3ONO Methyl nitrite ch3ono  
1165 NH2COOH Carbamic acid nh2cooh  
1166 H3BO3 Boric acid h3bo3  
1167 H3CO3+ carbonic acid, protonated h3co3+  
1168 C3H4O allenol c9000071  
1169 C3H4O Cyclopropanone cpone  
1170 C3H4O Methylketene c6004440  
1171 NH2CONH2+ Urea cation urea+  
1172 NH2CSNH2 Thiourea thiourea  
1173 C2H4O2 1,3-dioxetane c2h4o2  
1174 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1175 NH3COOH+ protonated Carbamic acid nh3cooh+  
1176 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1177 CH3COCH2 Acetonyl radical ch3coch2  
1178 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1179 CH3C(OH)=NH Ethaninidic acid eia  
1180 HCONHCH3 N-methylformamide nmfa  
1181 CH5N2O+ urea, N-protonated ch4n2o+  
1182 H2NCOHNH2+ urea, protonated ureah+  
1183 C2H5OO ethylperoxy radical c2h5oo  
1184 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1185 C3H5OH Cyclopropanol cproh  
1186 C3H6O 2-Propen-1-ol c107186  
1187 C3H6O Acetone enol enol  
1188 C3H6O Oxetane oxetane  
1189 CH3COCH3- acetone anion ch3coch3-  
1190 C3H6S Thietane thietane  
1191 C3H6S Thiirane, methyl- methiirane  
1192 CH3CSCH3 Thioacetone ch3csch3  
1193 CH3OOCH3 dimethylperoxide dmp  
1194 CH3SOCH3 Dimethyl sulfoxide dmso  
1195 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1196 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1197 CH3COHCH3+ acetone, protonated acetoneh+  
1198 HOCH2CH2NH2 monoethanolamine mea  
1199 CH3OC2H5 Ethane, methoxy- etome  
1200 C3H7SH 1-Propanethiol prsh  
1201 CH3CHSHCH3 2-Propanethiol isoprsh  
1202 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1203 Li2F2 Lithium fluoride dimer li2f2  
1204 Na2F2 Sodium Fluoride Dimer na2f2  
1205 Na2Cl2 Disodium dichloride na2cl2  
1206 C2F2 difluoroacetylene c2f2  
1207 C2Cl2 dichloroacetylene c2cl2  
1208 C2Cl2+ dichloroacetylene cation c2cl2+  
1209 FNO2 Nitryl fluoride fno2  
1210 FONO Nitrosyl hypofluorite fono  
1211 ClNO2 Nitryl chloride clno2  
1212 ClONO chlorine nitrite clono  
1213 BrONO Bromine nitrite brono  
1214 N2F2 (Z)-Difluorodiazene n2f2_z  
1215 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1216 CF2O+ Carbonic difluoride cation f2co+  
1217 COFCl Carbonic chloride fluoride cofcl  
1218 CCl2O Phosgene cl2co  
1219 COBr2 Carbonic dibromide cobr2  
1220 BF3 Borane, trifluoro- bf3  
1221 BF3- Borane, trifluoro- anion bf3-  
1222 BF3+ boron trifluoride cation bf3+  
1223 BClF2 Chlorodifluoroborane bclf2  
1224 AlF2Cl Aluminum chloride difluoride alclf2  
1225 ScF3 Scandium trifluoride ScF3  
1226 AlFCl2 Aluminum dichloride fluoride alcl2f  
1227 BCl3 Borane, trichloro- bcl3  
1228 BCl3+ Boron Trichloride cation bcl3+  
1229 GaF3 Gallium trifluoride gaf3  
1230 AlCl3 Aluminum trichloride alcl3  
1231 GaCl3 Gallium trichloride gacl3  
1232 BBr3 Boron tribromide bbr3  
1233 AlBr3 Aluminum Bromide albr3  
1234 ClO3 Chlorine trioxide clo3  
1235 ClO3- chlorate anion clo3-  
1236 BrO3- Bromate anion bro3-  
1237 CF3 Trifluoromethyl radical cf3  
1238 CF3- Trifluoromethyl anion cf3-  
1239 CF3+ Trifluoromethyl cation cf3+  
1240 CF2Cl difluorochloromethyl radical cf2cl  
1241 SiF3 Silicon trifluoride radical sif3  
1242 SiF3+ Silicon trifluoride cation sif3+  
1243 CFCl2 dichlorofluoromethyl radical cfcl2  
1244 CCl3 Trichloromethyl radical ccl3  
1245 CCl3- Trichloromethyl anion ccl3-  
1246 CCl3+ Trichloromethyl cation ccl3+  
1247 SiCl3 trichlorosilyl radical sicl3  
1248 SiCl3+ trichlorosilyl cation sicl3+  
1249 CBr3 tribromomethyl radical cbr3  
1250 FOOF Perfluoroperoxide foof  
1251 ClOOCl Dichlorine dioxide cloocl  
1252 SOCl2 thionyl chloride socl2  
1253 SeOCl2 selenium oxychloride seocl2  
1254 NF3 Nitrogen trifluoride nf3  
1255 NF3- Nitrogen trifluoride anion nf3-  
1256 NF3+ Nitrogen trifluoride cation nf3+  
1257 PF3 Phosphorus trifluoride pf3  
1258 NCl3 nitrogen trichloride ncl3  
1259 AsF3 Arsenic trifluoride asf3  
1260 PCl3 Phosphorus trichloride pcl3  
1261 SbF3 Antimony Trifluoride sbf3  
1262 AsCl3 Arsenous trichloride ascl3  
1263 SbCl3 Antimony Trichloride sbcl3  
1264 NBr3 Nitrogen Tribromide nbr3  
1265 PBr3 Phosphorus tribromide pbr3  
1266 AsBr3 Arsenic tribromide asbr3  
1267 NI3 Nitrogen triiodide ni3  
1268 PI3 Phosphorus triiodide pi3  
1269 ClSSCl Disulfur dichloride s2cl2  
1270 BrF3 Bromine trifluoride brf3  
1271 IF3 iodone trifluoride if3  
1272 CHF2Cl difluorochloromethane chf2cl  
1273 SiHF3 trifluorosilane sihf3  
1274 CHFCl2 fluorodichloromethane chfcl2  
1275 CDCl3 trichloromethane-d cdcl3  
1276 CHCl3 Chloroform chcl3  
1277 CHBrF2 Methane, bromodifluoro- chbrf2  
1278 SiHCl3 Trichlorosilane sihcl3  
1279 CHFClBr fluorochlorobromomethane chfclbr  
1280 CHBrCl2 Methane, bromodichloro- chbrcl2  
1281 CHF2I difluoroiodomethane chf2i  
1282 CHBr2F dibromofluoromethane chbr2f  
1283 CHFClI fluorochloroiodomethane chfcli  
1284 CHCl2I dichloroiodomethane chcl2i  
1285 CHClBr2 Methane, dibromochloro- chclbr2  
1286 CHBr3 bromoform chbr3  
1287 CHI3 Iodoform chi3  
1288 NF3H+ protonated nitrogen trifluoride nf3h+  
1289 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1290 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1291 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1292 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1293 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1294 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1295 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1296 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1297 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1298 C2H2Br2 1,1-dibromoethene c2h2br2  
1299 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1300 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1301 CH2FCHO Fluoroacetaldehyde ch2fcho  
1302 CH3COF Acetyl fluoride ch3cof  
1303 CH2ClCHO chloroacetaldehyde ch2clcho  
1304 CH3COCl Acetyl Chloride ch3cocl  
1305 C2H4F2 1,2-difluoroethane c2h4f2  
1306 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1307 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1308 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1309 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1310 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1311 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1312 CH2CFCH3 2-fluoropropene 2fpro  
1313 CH2CHCH2F Allyl Fluoride allylf  
1314 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1315 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1316 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1317 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1318 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1319 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1320 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1321 CH2FCH2CH3 1-Fluoropropane prf1  
1322 CH3CHFCH3 2-Fluoropropane prf2  
1323 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1324 CH3CHClCH3 Propane, 2-chloro- prcl2  
1325 CH3CH2CH2Br n-propyl bromide prbr  
1326 CH3CHBrCH3 i-propyl bromide iprbr  
1327 C3H9O+ trimethyl oxonium cation c3h9o+  
1328 B5H9 pentaborane9 b5h9  
1329 C5H4 pentatetraene ptrene  
1330 C5H5 cyclopentadienyl radical c5h5  
1331 C5H5- cylopentadienyl anion c5h5-  
1332 C5H6 1,3-Cyclopentadiene c542927  
1333 C5H6 3-Penten-1-yne, (E)- c2004695  
1334 C5H6 3-Penten-1-yne, (Z)- c1574409  
1335 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1336 C5H6 Cyclopropylacetylene c6746947  
1337 C5H6 Propellane propellane  
1338 C5H7 1,3-pentadienyl radical pdyl  
1339 C5H7 cyclopentenyl radical cpyl  
1340 C5H8 1,2-Butadiene, 3-methyl- c598254  
1341 C5H8 1,2-Pentadiene c591957  
1342 C5H8 1,3-Pentadiene, (E)- c2004708  
1343 C5H8 1,3-Pentadiene, (Z)- c1574410  
1344 C5H8 1,4-Pentadiene c591935  
1345 C5H8 1-pentyne a1pentyne  
1346 C5H8 2,3-Pentadiene c591968  
1347 C5H8 Bicyclo[1.1.1]pentane bcp  
1348 C5H8 Cyclobutane, methylene- c1120565  
1349 C5H8 Ethenylcyclopropane c693867  
1350 CH3CCCH2CH3 2-Pentyne 2pentyne  
1351 C5H10 1-Butene, 2-methyl- c563462  
1352 C5H10 2-Butene, 2-methyl- c513359  
1353 C5H10 2-Pentene, (E)- c646048  
1354 C5H10 2-Pentene, (Z)- c627203  
1355 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1356 C5H11 2-Methylbut-2-yl radical c4348350  
1357 C5H12 Propane, 2,2-dimethyl- neopentane  
1358 Si(CH3)4 tetramethylsilane tms  
1359 N2O3 Dinitrogen trioxide n2o3  
1360 CH2N4 1H-Tetrazole 1htz  
1361 C3H3N2 imidazolyl radical im  
1362 C3H3N2- imidizolyl anion im-  
1363 C2H3N3 1H-1,2,4-Triazole c288880  
1364 C4H4N pyrrolide radical c4h4n  
1365 C4H4N- pyrrolide anion c4h4n-  
1366 C3H4N2 2H-Imidazole imid2h  
1367 C3H4N2 4H-Imidazole imid4h  
1368 C4H5N (E)-2-Butenenitrile c627269  
1369 C4H5N (Z)-2-Butenenitrile c1190767  
1370 C4H5N 2H-pyrrole pyrrole2  
1371 C4H5N 3H-pyrrole pyrrole3  
1372 C4H5N Cyclopropanecarbonitrile c5500210  
1373 CH2CHCH2CN Allylcyanide ch2chch2cn  
1374 C4H6N+ pyrrole, alpha-protonated appyr  
1375 C4H6N+ pyrrole, beta-protonated bppyr  
1376 C4H6N+ pyrrole, protonated ppyr  
1377 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1378 CH3CH2CH2CN Butanenitrile c109740  
1379 C4H9N Cyclobutylamine cbam  
1380 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1381 NH(C2H5)2 diethylamine dea  
1382 NC4H12+ tetramethyl ammonium cation nc4h12+  
1383 C3O2 Carbon suboxide c3o2  
1384 C3O2+ Carbon suboxide cation c3o2+  
1385 B2O3 diboron trioxide b2o3  
1386 MgCO3 Magnesium Carbonate mgco3  
1387 BeCO3 Beryllium Carbonate beco3  
1388 CaCO3 Calcium Carbonate caco3  
1389 ONONO Nitrosyl nitrite onono  
1390 PO4--- phosphate po4---  
1391 SO4-- sulfate so4--  
1392 HOONO2 peroxy nitric acid hoono2  
1393 HSO4- bisulfate anion hso4-  
1394 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1395 C3H2O2 Propiolic acid c3h2o2  
1396 CHOCOOH oxo acetic acid oaa  
1397 CHOOCHO diformyl ether choocho  
1398 H2SeO4 Selenic acid h2seo4  
1399 C3H3NO Oxazole oxazole  
1400 C3H3NS Thiazole thiazole  
1401 CH3C(O)OO acetyl peroxy radical ch3coo2  
1402 CH3NO3 Methyl nitrate ch3no3  
1403 H3PO4 Phosphoric Acid h3po4  
1404 C4H4O+ Furan cation furan+  
1405 CH3COCCH 3-butyn-2-one c1423605  
1406 C4H4S Thiophene furans  
1407 C4H4Se selenophene c4h4se  
1408 C3H4O2 Methyl glyoxal megly  
1409 C3H4O2 propanedial propanedial  
1410 C3H4O2 propenalol propenalol  
1411 HOCHCCHOH allenediol aldiol  
1412 C2H4O3 1,2,3-trioxolane c2h4o3  
1413 C2H4O3 trioxolane124 triox  
1414 HOCH2COOH Hydroxyacetic acid hac  
1415 CH3OCH2CN Methoxyacetonitrile c1738369  
1416 CH5N3S Hydrazinecarbothioamide c79196  
1417 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1418 C4H6O cis-2-butenal butenal2c  
1419 C4H6O Cyclobutanone cbutone  
1420 C4H6O Furan, 2,3-dihydro- furan23h  
1421 C4H6O Furan, 2,5-dihydro- furan25h  
1422 CHOCHCHCH3 2-Butenal butenal2  
1423 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1424 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1425 CH2CHSCHCH2 Divinyl sulfide divis  
1426 C2H6N2O Urea, methyl- c598505  
1427 C3H6O2 1,3-Dioxolane dioxolane  
1428 CH3CH2COOH Propanoic Acid propanoic  
1429 HCOOC2H5 Ethyl formate faee  
1430 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1431 C4H8O Cyclobutanol c2919235  
1432 C4H8O Furan, tetrahydro- thf  
1433 C4H8S Thiophene, tetrahydro- tht  
1434 C3H8O2 1,3-Propanediol c504632  
1435 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1436 C3H8O2 Methane, dimethoxy- c109875  
1437 C3H8S2 1,3-Propanedithiol c109808  
1438 C4H10O 1-Butanol butanol1  
1439 C4H10O 2-Butanol, (.+/-.)- butanol2  
1440 C4H10O Methyl propyl ether meopr  
1441 C4H10O Propane, 2-methoxy- c598538  
1442 C4H10O+ 1-Butanol cation butanol1+  
1443 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1444 C2H5SC2H5 Diethyl sulfide etset  
1445 C4H9SH 1-Butanethiol bush  
1446 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1447 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1448 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1449 FNO3 Fluorine nitrate fno3  
1450 ClONO2 Chlorine nitrate clono2  
1451 BrONO2 Bromine nitrate brono2  
1452 TiCl4 Titanium tetrachloride ticl4  
1453 ClO4- perchlorate anion clo4-  
1454 BF4- tetrafluoroboron anion bf4-  
1455 ClFO3 Perchloryl fluoride clfo3  
1456 SO2F2 Sulfuryl fluoride so2f2  
1457 SO2Cl2 Sulfuryl chloride so2cl2  
1458 F3NO Nitrogen trifluoride oxide f3no  
1459 F3PO Phosphoryl fluoride pf3o  
1460 Cl3PO Phosphoryl chloride pcl3o  
1461 CF3Cl Methane, chlorotrifluoro- cf3cl  
1462 SiF4 Silicon tetrafluoride sif4  
1463 TiF4 Titanium tetrafluoride tif4  
1464 CFCl3 Trichloromonofluoromethane cfcl3  
1465 CF3Br Bromotrifluoromethane cf3br  
1466 GeF4 Germanium tetrafluoride gef4  
1467 CCl4 Carbon tetrachloride ccl4  
1468 CCl4+ Carbon tetrachloride cation ccl4+  
1469 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1470 SiCl4 Silane, tetrachloro- sicl4  
1471 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1472 CF3I trifluoroiodomethane cf3i  
1473 CBrCl3 Methane, bromotrichloro- cbrcl3  
1474 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1475 GeCl4 Germanium Tetrachloride gecl4  
1476 CBr2ClF dibromochlorofluoromethane cbr2clf  
1477 CBr2Cl2 dibromodichloromethane cbr2cl2  
1478 CCl3I trichloroiodomethane ccl3i  
1479 CFBr3 fluorotribromomethane cfbr3  
1480 CFClBrI fluorochlorobromoiodomethane cfclbri  
1481 CBr3Cl tribromochloromethane cbr3cl  
1482 CF2I2 difluorodiiodomethane cf2i2  
1483 CBr4 Carbon tetrabromide cbr4  
1484 CCl2I2 dichlorodiiodomethane ccl2i2  
1485 SiBr4 Silicon tetrabromide sibr4  
1486 CBr3I tribromoiododmethane cbr3i  
1487 GeBr4 Germanium tetrabromide gebr4  
1488 CI4 tetraiodomethane ci4  
1489 SiI4 silicon tetraiodide sii4  
1490 ClOF3 Chlorine trifluoride oxide clof3  
1491 SeF4 Selenium tetrafluoride sef4  
1492 SCl4 Sulfur tetrachloride scl4  
1493 CHClCCl2 Trichloroethylene chclccl2  
1494 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1495 HSO3F Fluorosulfonic acid hso3f  
1496 CF3OH trifluoromethanol cf3oh  
1497 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1498 CHClCCHCl 1,3-dichloroallene chclcchcl  
1499 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1500 CHCl2CHO dichloroacetaldehyde chcl2cho  
1501 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1502 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1503 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1504 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1505 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1506 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1507 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1508 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1509 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1510 NH3BCl3 Amminetrichloroboron nh3bcl3  
1511 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1512 C3H5ClO Oxirane, (chloromethyl)- c106898  
1513 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1514 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1515 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1516 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1517 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1518 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1519 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1520 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1521 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1522 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1523 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1524 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1525 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1526 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1527 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1528 C4H9F 1-fluorobutane butaf1  
1529 CH3CHFCH2CH3 2-fluorobutane butaf2  
1530 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1531 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1532 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1533 XeF4 Xenon tetrafluoride xef4  
1534 C2H2N2O Furazan furazan  
1535 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1536 NH3BF3 Amminetrifluoroboron nh3bf3  
1537 C6H2 hexatriyne c6h2  
1538 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1539 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1540 C6H4 Benzyne benzyne  
1541 C6H5 phenyl phenyl  
1542 C6H5- phenyl anion phenyl-  
1543 C6H6 Prismane prismane  
1544 C6H6 1,2,4,5-Hexatetraene ht1245  
1545 C6H6 2,4-Hexadiyne hexadiyne  
1546 C6H6 3,4-Dimethylenecyclobutene cb34m  
1547 C6H6 Benzvalene bv  
1548 C6H6 Dewar Benzene dewar  
1549 C6H6 Hexa-1,5-diene-3-yne hdy153  
1550 C6H6 Trimethylenecycopropane tmcp  
1551 C6H6+ Benzene cation c6h6+  
1552 C6H7+ benzene, protonated c6h7+  
1553 C6H8 (E)-hexa-1,3,5-triene c821078  
1554 C6H8 (E)-hexa-2,3,4-triene c59660650  
1555 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1556 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1557 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1558 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1559 C6H8 3-Methylenecyclopentene c930267  
1560 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1561 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1562 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1563 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1564 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1565 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1566 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1567 C6H10 1,5-Hexadiene c592427  
1568 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1569 C6H10 1-Hexyne hexyne1  
1570 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1571 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1572 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1573 C6H10 2-Hexyne c764352  
1574 C6H10 3-Hexyne hexyne3  
1575 C6H10 Cyclopentene, 1-methyl- c693890  
1576 C6H10 Cyclopentene, 3-methyl- c1120623  
1577 C6H10 Cyclopentene, 4-methyl- c1759815  
1578 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1579 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1580 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1581 C6H12 (E)-2-Hexene e2hexene  
1582 C6H12 (E)-3-methylpent-2-ene c616126  
1583 C6H12 (E)-hex-3-ene e3hexene  
1584 C6H12 (Z)-3-methylpent-2-ene c922623  
1585 C6H12 (Z)-hex-2-ene z2hexene  
1586 C6H12 (Z)-hex-3-ene z3hexene  
1587 C6H12 2,3-dimethylbut-1-ene c563780  
1588 C6H12 2,3-dimethyl-but-2-ene tmeet  
1589 C6H12 3-methylenepentane c760214  
1590 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1591 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1592 C6H12 Ethylcyclobutane c4806615  
1593 C6H12 hex-1-ene hexene1  
1594 C4N2 2-Butynedinitrile c4n2  
1595 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1596 C4H2N2 Fumaronitrile c4h2n2  
1597 C3H3N3 1,3,5-Triazine triazine135  
1598 CH3N5 5-Aminotetrazole c4418615  
1599 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1600 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1601 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1602 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1603 C5H5N E-2,4-pentadienenitrile bdcn  
1604 B3N3H6 borazine borazine  
1605 C6H6 Fulvene fulvene  
1606 C5H6N+ Pyridinium c5h6n  
1607 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1608 C5H7N (E)-2-Pentenenitrile c26294984  
1609 C5H7N (E)-3-Pentenenitrile c16529661  
1610 C5H7N (Z)-2-Pentenenitrile c25899507  
1611 C5H7N Cyclobutanecarbonitrile c4426113  
1612 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1613 C5H9N Butanenitrile, 2-methyl- c18936179  
1614 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1615 C6H10 Bicyclo[3.1.0]hexane c285585  
1616 C5H11N Cyclopentanamine cypentam  
1617 C5H11N Piperidine piper  
1618 C4H12N2 1,2-Butanediamine c4426486  
1619 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1620 Li2CO3 Lithium Carbonate li2co3  
1621 Na2CO3 Sodium Carbonate na2co3  
1622 C2O4-- oxalate anion c2o4  
1623 MgSO4 Magnesium Sulfate mgso4  
1624 N2O4 Dinitrogen tetroxide n2o4  
1625 C3H2O3 vinylene carbonate vica  
1626 C2H2O4 Oxalic Acid oxalic  
1627 C2H3NO3 Oxamic acid oxamic  
1628 C4H4O2 2(5H)-Furanone furanone  
1629 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1630 C2H4N2O2 Oxalamide oxalamide  
1631 C2H4N2S2 Ethanedithioamide c79403  
1632 C2H4CO3 Ethylene carbonate etco3  
1633 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1634 C3H4S3 1,3-Dithiolane-2-thione c822388  
1635 C2H4O4 Formic acid dimer fadimer  
1636 C4H5NO 3-Methylisoxazole isox3m  
1637 C4H5NO Isoxazole, 5-methyl- c5765446  
1638 C4H5NS 4-Methylthiazole c693958  
1639 C2H5NO3 Nitric acid, ethyl ester c625581  
1640 C5H6O 2H-Pyran pyran2  
1641 C5H6O 2-methylfuran furan2m  
1642 C5H6O 3-Methylfuran furan3m  
1643 C5H6O Pentadienal pdal  
1644 C5H6S Thiophene, 2-methyl- c554143  
1645 C5H6S Thiophene, 3-methyl- c616444  
1646 C4H6O2 2,3-Butanedione c431038  
1647 C4H6O2 Crotonic Acid crot  
1648 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1649 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1650 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1651 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1652 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1653 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1654 C4H6OS Vinyl sulfoxide c1115157  
1655 CH6N4S Carbonothioic dihydrazide thiacarb  
1656 C2H6N2O2 (E)-Azodioxymethane c37765154  
1657 C2H6N2O2 Dimethylnitroamine c4164287  
1658 C3H6S3 1,3,5-Trithiane c3h6s3  
1659 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1660 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1661 C4H7NO 2-Pyrrolidinone c616455  
1662 C4H7NO Ethoxyacetonitrile etoaccn  
1663 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1664 C3H7ONO Propyl nitrite prono  
1665 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1666 C5H8O Cyclopentanone c120923  
1667 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1668 C5H8O Methyl cyclopropyl ketone c765435  
1669 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1670 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1671 NH2CONHC2H5 Urea, ethyl- c625525  
1672 C4H8O2 1,3-Dioxane dioxan13  
1673 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1674 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1675 C4H8O2 Ethyl acetate c141786  
1676 C4H8OS s-Ethyl thioacetate c625605  
1677 C3H8O2S (Methylsulfonyl)ethane c594434  
1678 C4H9NO Butanamide c541355  
1679 C4H9NO Propanamide, 2-methyl- c563837  
1680 C5H10O 2-Butanone, 3-methyl- c563804  
1681 C5H10O 2-methylbutyraldehyde 2meba  
1682 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1683 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1684 C5H10S 3-Ethylthio-1-propene c5296628  
1685 C5H10S Cyclopentanethiol c1679078  
1686 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1687 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1688 C4H10O2 1,1-Dimethoxyethane c534156  
1689 C4H10OS Diethyl sulfoxide c70291  
1690 C4H10S2 1,4-Butanedithiol budisl14  
1691 C4H11NO Diethylhydroxylamine c3710847  
1692 C5H12O 2-Butanol, 3-methyl- c598754  
1693 C5H12O 2-Pentanol peol2  
1694 C5H12O 3-Pentanol pentan3ol  
1695 C5H12O Butane, 1-methoxy- meobu  
1696 C5H12O Propane, 1-ethoxy- proet  
1697 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1698 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1699 C5H12S 1-Butanethiol, 3-methyl- c541311  
1700 C5H12S 1-Pentanethiol c110667  
1701 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1702 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1703 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1704 C5H12S Butane, 1-(methylthio)- c628295  
1705 C5H12S Ethyl propyl sulfide c4110503  
1706 C5H12S Propane, 2-(ethylthio)- c5145993  
1707 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1708 C4F2 difluorobutadiyne c4f2  
1709 ClCOClCO Oxalyl chloride oxcl  
1710 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1711 B2F4 Diboron tetrafluoride b2f4  
1712 B2Cl4 Diboron tetrachloride b2cl4  
1713 C2F4+ Tetrafluoroethylene cation c2f4+  
1714 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1715 CF2CCl2 difluorodichloroethylene cf2ccl2  
1716 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1717 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1718 C2FCl3 fluorotrichloroethene c2fcl3  
1719 C2Cl4 Tetrachloroethylene c2cl4  
1720 C2Br4 tetrabromoethene c2br4  
1721 AsF5 Arsenic pentafluoride asf5  
1722 PCl5 Phosphorus pentachloride pcl5  
1723 SF5 Sulfur pentafluoride sf5  
1724 SF5+ pentafluoro sulfur cation sf5+  
1725 SbCl5 Antimony pentachloride sbcl5  
1726 BrF5 bromine pentafluoride brf5  
1727 ClF5 chlorinepentafluoride clf5  
1728 IF5 pentafluoroiodine if5  
1729 CF3CHO trifluoroacetaldehyde cf3cho  
1730 CCl3CHO trichloroacetaldehyde ccl3cho  
1731 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1732 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1733 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1734 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1735 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1736 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1737 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1738 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1739 CF3COOH trifluoroacetic acid cf3cooh  
1740 C4H3ClO Furan, 2-chloro fur2cl  
1741 C4H3ClO Furan,3-chloro fur3cl  
1742 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1743 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1744 C4H8Cl2 1,4-Dichlorobutane c110565  
1745 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1746 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1747 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1748 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1749 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1750 C5H11Cl Pentane, 1-chloro- pencl1  
1751 C4H8O2 Butanoic acid bua  
1752 C6H5CH2 benzyl radical benzyl  
1753 C7H7 cycloheptatrienyl radical c7h7  
1754 C7H7+ cycloheptatrienyl cation c7h7+  
1755 C7H8 cycloheptatriene cht  
1756 C7H8 Norbornadiene norbor  
1757 C7H8 Quadricyclane qucy  
1758 C7H14 cycloheptane c7h14  
1759 C7H16 2-methylhexane 2mhex  
1760 C7H16 3-methylhexane hex3m  
1761 CH(CN)3 tricyanomethane mecn3  
1762 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1763 C6H7N 2-Methylpyridine mp  
1764 C6H13N 2-Methylpiperidine pip2m  
1765 C6H13N cyclohexanamine cham  
1766 C6H15N triethylamine tea  
1767 N2O5 Dinitrogen pentoxide n2o5  
1768 C4H2O3 Maleic Anhydride malan  
1769 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1770 C5H4O2 furfural furfural  
1771 C6H5O phenoxy radical phenoxy  
1772 C5H5NO 2(1H)-Pyridinone c72762006  
1773 C5H5NO 2(3H)-Pyridinone c9000048  
1774 C5H5NO 2(5H)-Pyridinone c9000037  
1775 C5H5NO 3(2H)-Pyridinone c9000004  
1776 C5H5NO 3(4H)-Pyridinone c9000026  
1777 C5H5NO 3(6H)-Pyridinone c9000015  
1778 C5H5NO 4(1H)-Pryidinone c9000060  
1779 C5H5NO 4(3H)-Pryidinone c9000059  
1780 C5H5NO 4-Pyridinol c626642  
1781 C6H6O 2,4-Cyclohexadienone c24599573  
1782 C6H6O 2,5-Cyclohexadienone c5664335  
1783 C6H5SH Benzenethiol phsh  
1784 HO2CCHNH2CH2OH Serine serine  
1785 C5H8O2 Acetylacetone acac  
1786 C4H8O2S Sulfolane sulfolane  
1787 C7H10 Norbornene norbornene  
1788 CH(C2H3)3 trivinyl methane tvm  
1789 C6H12O hexanal c6h12o  
1790 C6H12O Oxepane oxepane  
1791 C3H7OC3H7 di-n-propyl ether propr  
1792 F2CCCF2 tetrafluoroallene pfa  
1793 CF3COO- trifluoro acetate anion cf3coo-  
1794 CF3COF trifluoroacetyl fluoride cf3cof  
1795 CF3COCl trifluoroacetyl chloride cf3cocl  
1796 PF6 Hexafluorophosphate neutral pf6  
1797 SF6 Sulfur Hexafluoride sf6  
1798 SeF6 Selenium hexafluoride sef6  
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 C8H8 cyclooctatetraene cot  
1812 CH3C6H4CH3 meta-xylene mxylene  
1813 CH3C6H4CH3 paraxylene pxylene  
1814 C8H14 Bicyclo[2.2.2]octane bico222  
1815 C8H16 cyclooctane cyclooct  
1816 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1817 C4O4-- squarate dianion c4o4--  
1818 S4N4 Tetrasulfur tetranitride s4n4  
1819 S8 Octasulfur s8  
1820 C4H4N2O2 Uracil uracil  
1821 C5H9NO2 Proline proline  
1822 C6H12O2 Methyl pivalate c598981  
1823 C6H12O2 Hexanoic acid hexa  
1824 C4F4 tetrafluorcyclobutadiene c4f4  
1825 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1826 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1827 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1828 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1829 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1830 C2Cl6 hexachloroethane c2cl6  
1831 IF7 Iodine heptafluoride if7  
1832 C6H4F2 metadifluorobenzene mdfb  
1833 C6H4F2 1,4-difluorobenzene pdfb  
1834 C6H4Cl2 1,2-dichlorobenzene dcb12  
1835 C6H4Cl2 1,3-dichlorobenzene dcb13  
1836 C6H4Cl2 1,4-dichlorobenzene dcb14  
1837 C6H5NO nitrosobenzene bzno  
1838 C9H8 Indene indene  
1839 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1840 C9H12 n-propyl benzene prbz  
1841 C9H20 Nonane nonane  
1842 C(CN)4 tetracyanomethane c5n4  
1843 C5H4N4 purine purine  
1844 C8H7N Indole indole  
1845 C3H3N3O3 cyanuric acid cyanuric  
1846 CH3COC6H5 acetophenone acph  
1847 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1848 C3F6 hexafluoropropene c3f6  
1849 C6H3F3 Benzene trifluoride 123 bzf3a  
1850 C8H18O 1-Octanol octanol  
1851 C10H8 Azulene azu  
1852 C10H10 bullvalene bullv  
1853 C6N4 Tetracyanoethylene tcne  
1854 C6N4- tetracyanoethylene anion tcne-  
1855 C10H22 Decane decane  
1856 C4F6 perfluorobutadiene c4f6  
1857 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1858 C3F8 perfluoropropane c3f8  
1859 Fe(CO)5 Iron pentacarbonyl ipc  
1860 Fe(C5H5)2 ferrocene fecp2  
1861 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1862 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1863 C12H8 Acenaphthylene acenaph  
1864 C12H8 biphenylene biph  
1865 C12H10 Heptalene heptalene  
1866 C6H12O6 Inositol inositol  
1867 C6F6 hexafluorobenzene c6f6  
1868 S2F10 disulphur decafluoride s2f10  
1869 C13H10 Fluorene fluorene  
1870 C14H10 Phenanthrene phenanthrene  
1871 C14H14 Bibenzyl bibenzyl  
1872 C12H10N2 azobenzene azobenzene  
1873 C6H5COC6H5 benzophenone benzophenone  
1874 C16H10 Pyrene pyrene  
1875 C18H12 Tetracene tetracene  
1876 C19H16 Triphenylmethane tpm  
1877 C24H12 Coronene coronene  
1878 C60 Buckminsterfullerene c60