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Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
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XXH-bond dimers
XXIOddities

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

List of which calculations are completed at CCSD(T)// MP2FC/6-31G* /6-311+G(3df,2p)

Jump to calculations not yet done
count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 H+ Hydrogen atom cation  Kh
3 D2 Deuterium diatomic 1ΣgD∞h
4 H2 Hydrogen diatomic 1ΣgD∞h
5 HD Deuterium hydride 1ΣgD∞h
6 He Helium atom 1SKh
7 Li Lithium atom 2SKh
8 Na Sodium atom 2SKh
9 LiH Lithium Hydride 1ΣC∞v
10 NaH sodium hydride 1ΣC∞v
11 Be Beryllium atom 1SKh
12 Mg Magnesium atom 1SKh
13 BeH beryllium monohydride 2ΣC∞v
14 MgH magnesium monohydride 2ΣC∞v
15 BeH2 beryllium dihydride 1ΣgD∞h
16 MgH2 magnesium dihydride 1ΣgD∞h
17 B Boron atom 2PKh
18 Al Aluminum atom 2PKh
19 BH Boron monohydride 1ΣC∞v
20 AlH aluminum monohydride 1ΣC∞v
21 BH2 boron dihydride 2A1C2v
22 AlH2 aluminum dihydride 2A1C2v
23 BH3 boron trihydride 1A1'D3h
24 AlH3 aluminum trihydride 1A1'D3h
25 C Carbon atom 3P0Kh
26 Si Silicon atom 3PKh
27 CH Methylidyne 2Π1/2C∞v
28 SiH Silylidyne 2ΠC∞v
29 CH2 Methylene 3B1C2v
30 SiH2 silicon dihydride 1A1C2v
31 CH3 Methyl radical 2A1D3h
32 SiH3 Silyl radical 2A1C3v
33 CH4 Methane 1A1Td
34 SiH4 Silane 1A1Td
35 N Nitrogen atom 4SKh
36 P Phosphorus atom 4SKh
37 NH Imidogen 3Σ-C∞v
38 PH phosphorus monohydride 3Σ-C∞v
39 ND2 Amidogen-d2 2B1C2v
40 NH2 Amino radical 2B1C2v
41 PH2 Phosphino radical 2B1C2v
42 ND3 Ammonia-d3 1A1C3v
43 NH3 Ammonia 1A1C3v
44 PH3 Phosphine 1A1C3v
45 O Oxygen atom 3SKh
46 S Sulfur atom 3PKh
47 DO Hydroxyl-d 2ΠC∞v
48 OH Hydroxyl radical 2ΠC∞v
49 DS Mercapto-d 2ΠC∞v
50 HS Mercapto radical 2ΠC∞v
51 D2O Deuterium oxide 1A1C2v
52 H2O Water 1A1C2v
53 HDO Water-d1 1A1C2v
54 D2S Hydrogen sulfide-d2 1A1C2v
55 H2S Hydrogen sulfide 1A1C2v
56 F Fluorine atom 2PKh
57 Cl Chlorine atom 2PKh
58 DF Hydrofluoric acid-d 1ΣC∞v
59 HF Hydrogen fluoride 1ΣC∞v
60 DCl Hydrochloric acid-d 1ΣC∞v
61 HCl Hydrogen chloride 1ΣC∞v
62 Ne Neon atom 1SKh
63 Ar Argon atom 1SKh
64 Li2 Lithium diatomic 1ΣgD∞v
65 Na2 Sodium diatomic 1ΣgD∞h
66 Be2 Beryllium diatomic 1ΣgD∞h
67 Mg2 Magnesium diatomic 1ΣgD∞h
68 Al2 Aluminum diatomic 3ΣgD∞h
69 B2H6 Diborane 1AgD2h
70 C2 Carbon diatomic 1Σg+D∞h
71 Si2 Silicon diatomic 3ΣgD∞h
72 C2H Ethynyl radical 2ΣC∞v
73 C2H2 Acetylene 1ΣgD∞h
74 C2H3 vinyl 2A'Cs
75 C2H4 Ethylene 1AgD2h
76 C2H5 Ethyl radical 2A'Cs
77 C2H6 Ethane 1A1gD3d
78 CH3SiH3 methyl silane 1A1C3
79 Si2H6 disilane 1EuD3d
80 CN Cyano radical 2ΣC∞v
81 CP Carbon monophosphide 2ΣC∞v
82 SiN Silicon nitride 2ΣC∞v
83 N2 Nitrogen diatomic 1ΣgD∞h
84 PN Phosphorus mononitride 1ΣC∞v
85 P2 Phosphorus diatomic 1ΣgD∞h
86 HNC hydrogen isocyanide 1ΣC∞v
87 HCN Hydrogen cyanide 1ΣC∞v
88 HCP Phosphaethyne 1ΣC∞v
89 HPO Hydrogen phosphorus oxide 1A'Cs
90 CH2NH Methanimine 1A'Cs
91 N2H4 Hydrazine 1AC2
92 P2H4 Diphosphine 1AC2
93 CH3NH2 methyl amine 1A'Cs
94 CH3PH2 Methyl phosphine 1A'Cs
95 LiO lithium oxide 2ΣC∞v
96 NaO sodium monoxide 2ΣC∞v
97 BeO beryllium oxide 1ΣC∞v
98 BeS beryllium sulfide 1ΣC∞v
99 MgO magnesium oxide 1Σ+C∞v
100 MgS magnesium sulfide 1ΣC∞v
101 BO boron monoxide 2ΣC∞v
102 AlO Aluminum monoxide 2ΣC∞v
103 BS boron sulfide 2ΣC∞v
104 AlS Aluminum sulfide 2ΣC∞v
105 CO Carbon monoxide 1ΣC∞v
106 CS carbon monosulfide 1ΣC∞v
107 SiO Silicon monoxide 1ΣC∞v
108 SiS silicon monosulfide 1ΣC∞v
109 NO Nitric oxide 2ΠC∞v
110 NS Mononitrogen monosulfide 2ΠC∞v
111 PO Phosphorus monoxide 2ΠC∞v
112 PS phosphorus sulfide 2ΣC∞v
113 O2 Oxygen diatomic 3ΣgD∞h
114 SO Sulfur monoxide 3ΣC∞v
115 S2 Sulfur diatomic 3ΣgD∞h
116 LiOH lithium hydroxide 1ΣC∞v
117 NaOH sodium hydroxide 1ΣC∞v
118 BeOH beryllium monohydroxide 2A'Cs
119 MgOH magnesium hydroxide 2A'Cs
120 HBO Boron hydride oxide 1ΣC∞v
121 HBS hydrogen boron sulfide 1ΣC∞v
122 HCO Formyl radical 2A'Cs
123 HNO Nitrosyl hydride 1A'Cs
124 HO2 Hydroperoxy radical 2A"Cs
125 H2CO Formaldehyde 1A1C2v
126 H2CS Thioformaldehyde 1A1C2v
127 H2O2 Hydrogen peroxide 1AC2
128 H2S2 Disulfane 1AC2
129 CH2OH Hydroxymethyl radical 2AC1
130 CH3S thiomethoxy 2A'C3v
131 NH2OH hydroxylamine 1A'Cs
132 CH3OH Methyl alcohol 1A'Cs
133 CH3SH Methanethiol 1A'Cs
134 LiF lithium fluoride 1ΣC∞v
135 LiCl lithium chloride 1ΣC∞v
136 NaF sodium fluoride 1ΣC∞v
137 NaCl Sodium Chloride 1ΣC∞v
138 BeF Beryllium monofluoride 2ΣC∞v
139 BeCl beryllium monochloride 2ΣC∞v
140 MgF Magnesium monofluoride 2ΣC∞v
141 MgCl magnesium monochloride 2ΣC∞v
142 BF Boron monofluoride 1ΣC∞v
143 AlF Aluminum monofluoride 1Σ+C∞v
144 BCl boron monochloride 1ΣC∞v
145 CF Fluoromethylidyne 2ΠC∞v
146 CCl carbon monochloride 2ΠC∞v
147 SiF silicon monofluoride 2ΠC∞v
148 SiCl Clorosilylidyne 2ΠC∞v
149 NF nitrogen fluoride 3ΣC∞v
150 PF phosphorus monofluoride 3ΣC∞v
151 PCl phosphorus chloride 3ΣC∞v
152 FO Oxygen monofluoride 2ΠC∞v
153 ClO Monochlorine monoxide 2ΠC∞v
154 SF Monosulfur monofluoride 2ΠC∞v
155 SCl sulfur monochloride 2ΠC∞v
156 F2 Fluorine diatomic 1ΣgD∞h
157 ClF Chlorine monofluoride 1Σ+C∞v
158 Cl2 Chlorine diatomic 1ΣgD∞h
159 HCF Fluoromethylene 1A'Cs
160 HOF Hypofluorous acid 1A'Cs
161 DOCl Hypochlorous acid-d 1A'Cs
162 HOCl hypochlorous acid 1A'Cs
163 H2F2 Hydrogen fluoride dimer 1AgCs
164 CH3F Methyl fluoride 1A1C3v
165 CH3Cl Methyl chloride 1A1C3v
166 SiH3F monofluorosilane 1A1C3v
167 SiH3Cl chlorosilane 1A1C1
168 C3H3 Propargyl radical 2B1Cs
169 CH2CCH2 allene 1A1D2d
170 CH3CCH propyne 1A'C3v
171 C3H5 Allyl radical 2A2C2v
172 C3H6 Cyclopropane 1A1'D3h
173 CH2CHCH3 Propene 1A'Cs
174 C3H7 n-Propyl radical 2A"C1
175 CH3CHCH3 Isopropyl radical 2AC2
176 C3H8 Propane 1A1C2v
177 CH3CN Acetonitrile 1A1C3v
178 C2H5N Aziridine 1A'C1
179 N2O Nitrous oxide 1ΣC∞v
180 CO2 Carbon dioxide 1ΣgD∞h
181 OCS Carbonyl sulfide 1ΣC∞v
182 SiO2 silicon dioxide 1ΣgD∞h
183 CS2 Carbon disulfide 1ΣgD∞h
184 NO2 Nitrogen dioxide 2A1C2v
185 PO2 Phosphorus dioxide 2A1C2v
186 O3 Ozone 1A1Cs
187 SO2 Sulfur dioxide 1A1C2v
188 SSO Disulfur monoxide 1A'Cs
189 HNCO Isocyanic acid 1A'Cs
190 HNO2 Nitrous acid 1A'Cs
191 CH2CO Ketene 1A1C2v
192 HCOOH Formic acid 1A'Cs
193 CH3CO Acetyl radical 2A'Cs
194 C2H4O Ethylene oxide 1A1C2v
195 CH3CHO Acetaldehyde 1A'Cs
196 C2H4S Thiirane 1A1C2v
197 CH3CHS Thioacetaldehyde 1A'C1
198 CH3OCH3 Dimethyl ether 1A1C2v
199 CH3CH2SH ethanethiol 1A'Cs
200 CH3SCH3 Dimethyl sulfide 1A1C2v
201 ClCN chlorocyanogen 1ΣC∞v
202 FNO Nitrosyl fluoride 1A'Cs
203 ClNO Nitrosyl chloride 1A'Cs
204 CF2 Difluoromethylene 1A1D∞h
205 CCl2 dichloromethylene 1A1C2v
206 SiCl2 Dichlorosilylene 1A1C2v
207 ClOO chloroperoxy radical 2A"Cs
208 OClO Chlorine dioxide 2B1D∞h
209 NF2 Difluoroamino radical 2B1C2v
210 F2O Difluorine monoxide 1A1C2v
211 Cl2O Dichlorine monoxide 1A1C2v
212 BHF2 Difluoroborane 1A1C2v
213 BHCl2 Borane, dichloro- 1A1C2v
214 CH2F2 Methane, difluoro- 1A1C2v
215 CH2Cl2 Methylene chloride 1A1C2v
216 SiH2Cl2 dichlorosilane 1A1C2v
217 CH2CHF Ethene, fluoro- 1A'Cs
218 C2H3Cl Ethene, chloro- 1A'Cs
219 CH3CH2Cl Ethyl chloride 1A'Cs
220 C4H2 Diacetylene 1ΣgD∞h
221 C2H3CCH 1-Buten-3-yne 1A'C1
222 H2CCCCH2 Butatriene 1AgD2h
223 C4H6 1-Methylcyclopropene 1AC1
224 C4H6 Cyclobutene 1A1C2v
225 C4H6 Methylenecyclopropane 1A1C2v
226 CH2CCHCH3 1,2-Butadiene 1A'C1
227 CH2CHCHCH2 1,3-Butadiene 1AgC2h
228 CH3CCCH3 2-Butyne 1A1'D3h
229 CH2C(CH3)CH3 1-Propene, 2-methyl- 1A1C2v
230 CH3CHCHCH3 2-Butene, (E)- 1AgC2h
231 CH3CHCHCH3 2-Butene, (Z)- 1A1C2v
232 C(CH3)3 Tert-butyl radical 2A"C3v
233 CH2CH(CH3)2 Isobutyl radical 2A'C1
234 CH3CH(CH3)CH3 Isobutane 1A1C3v
235 CH3CH2CH2CH3 Butane 1AgAnti
236 C2N2 Cyanogen 1ΣgD∞h
237 P4 Phosphorus tetramer 1A1Td
238 C4H8 cyclobutane 1A1D2d
239 CH3CH(NH2)CH3 2-Propanamine 1A'Cs
240 N(CH3)3 Trimethylamine 1A1C3v
241 NH2CH2CH2CH3 1-Propanamine 1A'Cs
242 B2O2 Diboron dioxide 1ΣgD∞h
243 SO3 Sulfur trioxide 1A1'D3h
244 HNO3 Nitric acid 1A'Cs
245 C2H2O2 Ethanedial 1AgC2h
246 C3H4O Cyclopropanone 1A1C2v
247 NH2CONH2 Urea 1AC2
248 NH2CSNH2 Thiourea 1AC2
249 CH3CHNOH Acetaldoxime 1A'CS trans
250 CH3CONH2 Acetamide 1A'C1
251 C3H6O Propylene oxide 1AC1
252 CH3CH2CHO Propanal 1A'Cs
253 CH3COCH3 Acetone 1A1C2v
254 C3H6S Thietane 1A'Cs
255 C3H7SH 1-Propanethiol 1A'Cs
256 Na2Cl2 Disodium dichloride 1AgC2h
257 C2Cl2 dichloroacetylene 1ΣgC2h
258 ClNO2 Nitryl chloride 1A1C2v
259 N2F2 (Z)-Difluorodiazene 1A1C2v
260 N2F2 Dinitrogen difluoride, (E)- 1AgC2h
261 CF2O Carbonic difluoride 1A1C2v
262 BF3 Borane, trifluoro- 1A'D3h
263 AlF3 Aluminum trifluoride 1A1'D3h
264 AlF2Cl Aluminum chloride difluoride 1A1C2v
265 AlFCl2 Aluminum dichloride fluoride 1A1C2v
266 BCl3 Borane, trichloro- 1A1'D3h
267 AlCl3 Aluminum trichloride 1A1'D3h
268 CF3 Trifluoromethyl radical 2A1C3v
269 CCl3 Trichloromethyl radical 2A1C3
270 NF3 Nitrogen trifluoride 1A1C3v
271 PF3 Phosphorus trifluoride 1A1C3v
272 PCl3 Phosphorus trichloride 1A1C3v
273 CHF3 Methane, trifluoro- 1A1C3v
274 SiHCl3 Trichlorosilane 1A1C3v
275 C5H6 1,3-Cyclopentadiene 1A1C2v
276 C5H6 Bicyclo[2.1.0]pent-2-ene 1A'Cs
277 C5H12 Butane, 2-methyl- 1AC1
278 C5H12 Pentane 1A1C2v
279 C3H4N2 1H-Imidazole 1A'Cs
280 C3H4N2 1H-Pyrazole 1A'Cs
281 C4H5N (Z)-2-Butenenitrile 1A'Cs
282 C4H5N Cyclopropanecarbonitrile 1A'Cs
283 C4H5N Pyrrole 1A1C2v
284 C3H6N2 3-Aminopropionitrile 1A'Cs
285 C4H9N Pyrrolidine 1A'Cs
286 C3O2 Carbon suboxide 1ΣGD∞h
287 C3H4O2 β–Propiolactone 1A'Cs
288 C3H4O2 2-Propenoic acid 1A'Cs
289 CH3OCH2CN Methoxyacetonitrile 1A'Cs
290 C4H6O Cyclobutanone 1A1C2v
291 C4H6S Thiophene, 2,3-dihydro- 1AC1
292 C4H6S Thiophene, 2,5-dihydro- 1A1C2v
293 CH3COOCH3 methyl acetate 1A'Cs
294 C2H6O2S Dimethyl sulfone 1A1C2v
295 C3H7NO Propanamide 1A'C1
296 CH2C(CH3)OCH3 1-Propene, 2-methoxy- 1AC1
297 CH3COCH2CH3 2-Butanone 1A'Cs
298 C4H8S Thiophene, tetrahydro- 1AC1
299 C3H8O2 Methane, dimethoxy- 1A1C2v
300 C4H10O Ethanol, 1,1-dimethyl- 1A'Cs
301 C(CH3)3SH 2-Propanethiol, 2-methyl- 1A'Cs
302 SO2Cl2 Sulfuryl chloride 1A1C2v
303 F3PO Phosphoryl fluoride 1A1C3v
304 CF3Cl Methane, chlorotrifluoro- 1A1C3v
305 SiF4 Silicon tetrafluoride 1A1Td
306 CF2Cl2 difluorodichloromethane 1A1C2v
307 CCl4 Carbon tetrachloride 1A1Td
308 SiCl4 Silane, tetrachloro- 1A1Td
309 CH2ClCHClCH3 Propane, 1,2-dichloro- 1AC1
310 CH3CCl2CH3 Propane, 2,2-dichloro- 1A1C2v
311 CH2CHCH2CH2Cl 1-Butene, 4-chloro- 1AC1
312 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- 1A1C3v
313 CH3CHClCH2CH3 Butane, 2-chloro- 1AC1
314 C6H4 (Z)-Hexa-1,5-diyne-3-ene 1A1C2v
315 C6H5 phenyl 2A1C2v
316 C6H6 Benzene 1A1gD6h
317 C6H14 Butane, 2,2-dimethyl- 1A'C1
318 C6H14 Pentane, 2-methyl- 1AC1
319 C6H14 Pentane, 3-methyl- 1A'Cs
320 C3H3N3 1,3,5-Triazine 1A1'D3h
321 C4H4N2 Pyrazine 1AgD2h
322 C4H4N2 Pyridazine 1A1C2v
323 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile 1A'Cs
324 C5H5N Pyridine 1A1C2v
325 C5H7N (E)-3-Pentenenitrile 1AC1
326 C5H11N Piperidine 1A'NH equatorial
327 N2O4 Dinitrogen tetroxide 1AgD2d
328 C2H3NO3 Oxamic acid 1A'H out
329 C2H4N2O2 Oxalamide 1AgC2h
330 C3H6O3 1,3,5-Trioxane 1A1C1
331 NH2COOC2H5 Urethane 1AC1
332 C5H10O 3-Pentanone 1A1C2v
333 C4H10O2 1,4-Butanediol 1AgC2h
334 C5H12O 1-Pentanol 1A'Cs
335 C5H12O Propane, 1-ethoxy- 1A'Cs
336 CF3CN Acetonitrile, trifluoro- 1A1C3v
337 B2F4 Diboron tetrafluoride 1AGD2h
338 B2Cl4 Diboron tetrachloride 1A1D2
339 C2F4 Tetrafluoroethylene 1AgD2h
340 C2Cl4 Tetrachloroethylene 1AgD2h
341 PF5 Phosphorus pentafluoride 1A1'D3h
342 PCl5 Phosphorus pentachloride 1A1'C4v
343 C3H5Cl3 Propane, 1,2,3-trichloro- 1A'Cs
344 C4H8Cl2 1,4-Dichlorobutane 1AgC2h
345 C5H11Cl Pentane, 1-chloro- 1A'Cs
346 C6H5CH3 toluene 1A'Cs
347 SF6 Sulfur Hexafluoride 1A1GOh
348 C6H5Cl chlorobenzene 1A1C2v
349 C2F6 hexafluoroethane 1A1gD3d

Species NOT done yet
count Species Name file name problem
1 D Deuterium atom d  
2 D- Deuterium atom anion d-  
3 D+ Deuterium atom cation d+  
4 H- Hydrogen atom anion h-  
5 H2- hydrogen diatomic anion h2-  
6 H2+ Hydrogen cation h2+  
7 H3+ hydrogen trimer cation h3+  
8 He- Helium atom anion he-  
9 He+ Helium atom cation he+  
10 HeH Helium hydride heh  
11 HeH+ Helium hydride cation heh+  
12 He2+ helium diatomic cation he2+  
13 Li- Lithium atom anion li-  
14 Li+ Lithium atom cation li+  
15 Na- Sodium atom anion na-  
16 Na+ Sodium atom cation na+  
17 K Potassium atom k  
18 K- Potassium atom anion k-  
19 K+ Potassium atom cation k+  
20 Cu Copper atom cu  
21 Cu- Copper atom anion cu-  
22 Cu+ Copper atom cation cu+  
23 LiH- lithium hydride anion lih-  
24 LiH+ lithium hydride cation lih+  
25 NaH- sodium hydride anion nah-  
26 NaH+ sodium hydride cation nah+  
27 KH Potassium hydride kh  
28 KH+ Potassium hydrogen cation kh+  
29 CuH Copper monohydride cuh  
30 Be- Beryllium atom anion be-  
31 Be+ Beryllium atom cation be+  
32 Mg- Magnesium atom anion mg-  
33 Mg+ Magnesium atom cation mg+  
34 Ca Calcium atom ca  
35 Ca- Calcium atom anion ca-  
36 Ca+ Calcium atom cation ca+  
37 Zn Zinc atom zn  
38 Zn- Zinc atom anion zn-  
39 Zn+ Zinc atom cation zn+  
40 BeH- berylium monohydride anion beh-  
41 BeH+ beryllium monohydride cation beh+  
42 MgH- magnesium monohydride anion mgh-  
43 MgH+ magnesium monohydride cation mgh+  
44 CaH Calcium monohydride cah  
45 CaH+ Calcium monohydride cation cah+  
46 TiH Titanium monohydride tih  
47 ZnH Zinc monohydride znh  
48 ZnH+ Zinc, protonated znh+  
49 BeH2+ Beryllium dihydride cation beh2+  
50 CaH2 Calcium Hydride cah2  
51 ZnH2 Zinc hydride znh2  
52 B- Boron atom anion b-  
53 B+ Boron atom cation b+  
54 Al- Aluminum atom anion al-  
55 Al+ Aluminum atom cation al+  
56 Sc Scandium atom sc  
57 Sc+ Scandium cation sc+  
58 Ga Gallium atom ga  
59 Ga- Gallium atom anion ga-  
60 Ga+ Gallium atom cation ga+  
61 BH- boron monohydride anion bh-  
62 BH+ boron monohydride cation bh+  
63 AlH- aluminum monohydride anion alh-  
64 AlH+ aluminum monohydride cation alh+  
65 ScH Scandium monohydride sch  
66 ScH+ Scandium monohydride cation sch+  
67 GaH Gallium monohydride gah  
68 GaH+ Gallium monohydride cation gah+  
69 BH2- boron dihydride anion bh2-  
70 BH2+ Boron dihydride cation bh2+  
71 AlH2- aluminum dihydride anion alh2-  
72 AlH2+ aluminum dihydride cation alh2+  
73 BH3- boron trihydride anion bh3-  
74 BH3+ boron trihydride cation bh3+  
75 AlH3- aluminum trihydride anion alh3-  
76 AlH3+ aluminum trihydride cation alh3+  
77 ScH3 Scandium trihydride sch3  
78 GaH3 Gallium trihydride gah3  
79 BH4 borohydride bh4  
80 BH4- borohydride anion bh4-  
81 AlH4- Aluminum tetrahydride anion alh4-  
82 C- Carbon atom anion c-  
83 C+ Carbon atom cation c+  
84 Si- Silicon atom anion si-  
85 Si+ Silicon atom cation si+  
86 Ti Titanium atom ti  
87 Ti- Titanium atom anion ti-  
88 Ti+ Titanium atom cation ti+  
89 Ge Germanium atom ge  
90 Ge- Germanium anion ge-  
91 Ge+ Germanium cation ge+  
92 Sn Tin atom sn  
93 Sn+ Tin cation sn+  
94 CH- methylidyne anion ch-  
95 CH+ Methylidyne cation ch+  
96 SiH- silicon monohydride anion sih-  
97 SiH+ silicon monohydride cation sih+  
98 GeH germylidene geh  
99 GeH+ Germaniun monohyrdide cation geh+  
100 CH2- methylene anion ch2-  
101 CH2+ methylene cation ch2+  
102 SiH2- silicon dihydride anion sih2-  
103 SiH2+ silicon dihydride cation sih2+  
104 GeH2 germylene geh2  
105 GeH2- germylene anion geh2-  
106 CH3- methyl anion ch3-  
107 CH3+ methyl cation ch3+  
108 SiH3- Silyl anion sih3-  
109 SiH3+ Silyl cation sih3+  
110 GeH3 Germyl radical geh3  
111 GeH3+ germyl cation geh3+  
112 CD4 methane-d4 cd4  
113 CH2D2 methane-d2 ch2d2  
114 CH3D methane-d ch3d  
115 CH4- Methane anion ch4-  
116 CH4+ Methane cation ch4+  
117 CHD3 methane-d3 chd3  
118 SiH2D2 silane-d2 sih2d2  
119 SiH4+ Silane cation sih4+  
120 GeH4 Germane geh4  
121 SnH4 Stannane snh4  
122 SiH5+ Silane, protonated sih5+  
123 N- Nitrogen atom anion n-  
124 N+ Nitrogen atom cation n+  
125 P- Phosphorus atom anion p-  
126 P+ Phosphorus atom cation p+  
127 V Vanadium atom v  
128 V+ Vanadium atom cation v+  
129 As Arsenic atomic as  
130 As- Arsenic anion as-  
131 As+ Arsenic cation as+  
132 Sb Antimony atom sb  
133 NH- Imidogen anion nh-  
134 NH+ imidogen cation nh+  
135 PH- phosphorus monohydride anion ph-  
136 PH+ phosphorus monohydride cation ph+  
137 AsH Arsenic monohydride ash  
138 AsH+ Arsenic monohydride cation ash+  
139 SbH Antimony monohydride sbh  
140 NH2- amino anion nh2-  
141 NH2+ Amino cation nh2+  
142 PH2- Phosphino anion ph2-  
143 PH2+ Phosphino cation ph2+  
144 AsH2 Arsenic dihydride ash2  
145 AsH2+ Arsenic dihydride cation ash2+  
146 NH3- Ammonia anion nh3-  
147 NH3+ ammonia cation nh3+  
148 PH3+ Phosphine cation ph3+  
149 AsH3 Arsine ash3  
150 AsH3+ Arsine cation ash3+  
151 SbH3 Stibine sbh3  
152 AsH4+ Arsonium ash4+  
153 NH4 Ammonium radical nh4  
154 NH4+ ammonium cation nh4+  
155 PH4 Phosphoranyl radical ph4  
156 PH4+ phosphonium cation ph4+  
157 O- Oxygen atom anion o-  
158 O+ Oxygen atom cation o+  
159 S- Sulfur atom anion s-  
160 S+ Sulfur atom cation s+  
161 Cr Chromium atom cr  
162 Se Selenium atom se  
163 Se- Selenium atom anion se-  
164 Se+ Selenium atom cation se+  
165 Te Tellurium atom te  
166 Te+ Tellurium atom cation te+  
167 OH- hydroxide anion oh-  
168 OH+ hydoxyl cation oh+  
169 HS- mercapto anion sh-  
170 HS+ sulfur monohydride cation sh+  
171 CrH Chromium hydride crh  
172 CrH+ Chromium hydride cation crh+  
173 HSe Selenium monohydride hse  
174 HSe- selenium monohydride anion hse-  
175 HSe+ selenium monohydride cation hse+  
176 TeH Telluryl radical teh  
177 H2O- water anion h2o-  
178 H2O+ water cation h2o+  
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 H3O+ hydronium cation h3o+  
185 H3S+ Sulfonium cation h3s+  
186 H3Se+ Hydrogen Selenide, protonated h3se+  
187 F- Fluorine atom anion f-  
188 F+ Fluorine atom cation f+  
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 HF- hydrogen fluoride anion hf-  
199 HF+ hydrogen fluoride cation hf+  
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 H2F+ dihydrogen fluoride cation h2f+  
208 H2Cl+ dihydrogen monochloride cation h2cl+  
209 H2Br+ protonated hydrogen bromide h2br+  
210 H2I+ Iodonium h2i+  
211 Ne- Neon atom anion ne-  
212 Ne+ Neon atom cation ne+  
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 NeH+ neon hydrogen cation neh+  
222 ArH+ Argon hydride cation arh+  
223 KrH+ Protonated Krypton krh+  
224 XeH+ Xenon, protonated xeh+  
225 H2Ar H2 Ar dimer h2ar  
226 Co Cobalt atom cobalt  
227 Ni Nickel atom ni  
228 Li2- lithium diatomic anion li2-  
229 Li2+ lithium diatomic cation li2+  
230 NaLi lithium sodium lina  
231 NaLi- lithium sodium anion lina-  
232 NaLi+ lithium sodium cation lina+  
233 LiK Lithium Potassium lik  
234 Na2- sodium diatomic anion na2-  
235 Na2+ sodium diatomic cation na2+  
236 NaK Sodium Potassium nak  
237 NaK+ Sodium Potassium diatomic cation nak+  
238 K2 Potassium diatomic k2  
239 Cu2 Copper diatomic cu2  
240 LiBe Lithium Beryllium libe  
241 LiMg Lithium magnesium limg  
242 NaBe Sodium Beryllium nabe  
243 NaMg Sodium Magnesium namg  
244 Be2- Beryllium diatomic anion be2-  
245 Be2+ Beryllium diatomic cation be2+  
246 BeMg Beryllium Magnesium bemg  
247 Mg2- magnesium diatomic anion mg2-  
248 Mg2+ magnesium diatomic cation mg2+  
249 Ca2 Calcium diatomic ca2  
250 LiB Lithium boride lib  
251 LiAl Lithium Aluminum lial  
252 NaAl Sodium aluminum naal  
253 BeB Beryllium monoboride beb  
254 B2 Boron diatomic b2  
255 B2- Boron diatomic anion b2-  
256 B2+ Boron diatomic cation b2+  
257 BAl Boron Aluminum bal  
258 Al2- aluminum diatomic anion al2-  
259 Al2+ aluminum diatomic cation al2+  
260 BGa Boron Gallium bga  
261 AlGa Aluminum Gallium alga  
262 Ga2 Gallium diatomic ga2  
263 HBBH Diborane(2) hbbh  
264 LiBH4 Lithium borohydride libh4  
265 B2H4 Diborane(4) D2d b2h4  
266 HBHHBH Diborane(4) C2V hbhhbh  
267 B2H6+ Diborane cation b2h6  
268 Al2H6 dialane al2h6  
269 Ga2H6 digallane ga2h6  
270 LiC Lithium Carbide lic  
271 BeC Beryllium Carbide bec  
272 CaC Calcium monocarbide cac  
273 BC boron monocarbide bc  
274 BC- boron monocarbide anion bc-  
275 BC+ boron monocarbide cation bc+  
276 AlC Aluminum carbide alc  
277 BSi Boron silicide bsi  
278 C2- carbon diatomic anion c2-  
279 C2+ carbon diatomic cation c2+  
280 SiC silicon monocarbide sic  
281 SiC- silicon monocarbide anion sic-  
282 SiC+ silicon monocarbide cation sic+  
283 Si2- silcon diatomic anion si2-  
284 Si2+ silcon diatomic cation si2+  
285 GeC Germanium monocarbide gec  
286 SiGe Silicon Germanium sige  
287 Ge2 Germanium diatomic ge2  
288 C2H- Ethynyl anion c2h-  
289 C2H+ Ethynyl cation c2h+  
290 ZnCH2 Zinc methylene znch2  
291 C2H2+ acetylene cation c2h2+  
292 CCH2 vinylidene vinylidene  
293 H2CC- vinylidene anion h2cc-  
294 HCCH- acetylene anion c2h2-  
295 Si2H2 disilyne si2h2  
296 CH3Li methyl lithium ch3li  
297 CuCH3 monomethyl copper cuch3  
298 ZnCH3 Zinc monomethyl znch3  
299 CH2BH methyleneborane ch2bh  
300 C2H3- vinyl anion c2h3-  
301 C2H3+ vinyl cation c2h3+  
302 C2H4- Ethylene anion c2h4-  
303 C2H4+ Ethylene cation c2h4+  
304 CH3CH methylmethylene ch3ch  
305 CH2SiH2 silaethylene ch2sih2  
306 Si2H4 Disilene si2h4  
307 CH3BH2 methylborane ch3bh2  
308 C2H5- Ethyl anion c2h5-  
309 C2H5+ Ethyl cation c2h5+  
310 C2H6+ ethane cation c2h6+  
311 GeH3CH3 methyl germane geh3ch3  
312 C2H7+ Ethane, protonated c2h7+  
313 LiN Lithium Nitride lin  
314 LiN+ Lithium Nitride cation lin+  
315 LiP Lithium monophosphide lip  
316 BeN Beryllium mononitride ben  
317 BeN- Beryllium mononitride anion ben-  
318 BeN+ Beryllium mononitride cation ben+  
319 MgN Magnesium Nitride mgn  
320 BN- boron nitride anion bn-  
321 AlN- aluminum mononitride anion aln-  
322 AlN+ aluminum mononitride cation aln+  
323 BP Boron monophosphide bp  
324 AlP Aluminum monophosphide alp  
325 GaN Gallium mononitride gan  
326 GaP Gallium monophosphide gap  
327 GaAs Gallium arsenide gaas  
328 BN boron nitride bn  
329 BN+ boron nitride cation bn+  
330 AlN Aluminum nitride aln  
331 CN- cyanide anion cn-  
332 CN+ Cyano cation cn+  
333 CP- carbon monophosphide anion cp-  
334 CP+ carbon monophosphide cation cp+  
335 SiN- silicon mononitride anion sin-  
336 SiN+ silicon mononitride cation sin+  
337 SiP Silicon monophosphide sip  
338 SiP- Silicon monophosphide anion sip-  
339 SiP+ Silicon monophosphide cation sip+  
340 TiN Titanium mononitride tin  
341 N2- nitrogen diatomic anion n2-  
342 N2+ diatomic nitrogen cation n2+  
343 PN- phosphorus nitride anion pn-  
344 PN+ phosphorus nitride cation pn+  
345 P2- phosphorus diatomic anion p2-  
346 P2+ phosphorus diatomic cation p2+  
347 AsN Arsenic mononitride asn  
348 AsP Arsenic monophosphide asp  
349 SbN Antimony nitride sbn  
350 As2 Arsenic diatomic as2  
351 HNB hydrogen nitrogen boron hnb  
352 HCN- Hydrogen cyanide anion hcn-  
353 HCN+ hydrogen cyanide cation hcn+  
354 HNC+ hydrogen isocyanide cation hnc+  
355 HCP+ Phosphaethyne cation hcp+  
356 NNH Dinitrogen monohydride nnh  
357 NNH+ Dinitrogen monohydride cation nnh+  
358 HPO+ Hydrogen phosphorus oxide cation hpo+  
359 LiNH2 lithium amide linh2  
360 HBNH Boranimine hbnh  
361 CNH2 Aminomethylidyne radical cnh2  
362 CNH2+ N-protonated hydrogen isocyanide cnh2+  
363 H2CN Dihydrogen cyanide radical h2cn  
364 H2CN+ hydrocyanonium cation h2cn+  
365 HCNH methyleneazane hcnh  
366 HCNH+ N-protonated HCN hcnh+  
367 H2NN Isodiazene h2nn  
368 N2H2 (E)-diazene n2h2  
369 N2H2 (Z)-Diazene n2h2z  
370 N2H2+ trans-diazene cation n2h2+  
371 CH2NH+ Methanimine cation ch2nh+  
372 CHNH2 aminomethylene chnh2  
373 CHNH2+ Aminocarbene cation chnh2+  
374 CH2PH Phosphaethene ch3p  
375 BH2NH2 Boranamine bh2nh2  
376 CH2NH2+ methyleneamine cation ch2nh2+  
377 N2H4+ hydrazine cation n2h4+  
378 CH3NH2+ methyl amine cation ch3nh2+  
379 SiH3NH2 Silane, amino sih3nh2  
380 N2H5+ protonated hydrazine n2h5+  
381 BH3PH3 borane phosphine bh3ph3  
382 BH3NH3 borane ammonia bh3nh3  
383 CH3NH3 methyl ammonium radical ch3nh3  
384 CH3NH3+ protonated methylamine ch3nh3+  
385 CH3PH3+ methyl phosphine, protonated ch3ph3+  
386 NH3NH3 Ammonia Dimer nh3nh3  
387 N2H7+ ammonia ammonium dimer n2h7+  
388 LiO- lithium oxide anion lio-  
389 LiO+ lithium oxide cation lio+  
390 LiS Lithium monosulfide lis  
391 LiS+ Lithium sulfide cation lis+  
392 NaO- sodium oxide anion nao-  
393 NaO+ sodium oxide cation nao+  
394 KO Potassium monoxide ko  
395 KO+ Potassium monoxide cation ko+  
396 NaS Sodium sulfide nas  
397 CuO Copper Monoxide cuo  
398 LiSe Lithium monoselenide lise  
399 BeO- Beryllium monoxide anion beo-  
400 BeO+ Beryllium monoxide cation beo+  
401 MgO- magnesium oxide anion mgo-  
402 MgO+ magnesium oxide cation mgo+  
403 CaO Calcium monoxide cao  
404 MgS- magnesium sulfide anion mgs-  
405 MgS+ magnesium sulfide cation mgs+  
406 CaS Calcium sulfide cas  
407 ZnO zinc monoxide zno  
408 ZnS Zinc sulfide zns  
409 BeS- Beryllium monosulfide anion bes-  
410 BeS+ Beryllium monosulfide cation bes+  
411 BO- boron monoxide anion bo-  
412 AlO- Aluminum monoxide anion alo-  
413 AlO+ aluminum monoxide cation alo+  
414 BS- boron monosulfide anion bs-  
415 BS+ boron monosulfide cation bs+  
416 AlS- aluminum monosulfide anion als-  
417 AlS+ aluminum monosulfide cation als+  
418 ScO Scandium monoxide sco  
419 GaO Gallium monoxide gao  
420 GaS Gallium monosulfide gas  
421 BO+ boron monoxide cation bo+  
422 CO- carbon monoxide anion co-  
423 CO+ carbon monoxide cation co+  
424 CS- carbon monosulfide anion cs-  
425 CS+ carbon monosulfide cation cs+  
426 SiO- silicon monoxide anion sio-  
427 SiO+ silicon monoxide cation sio+  
428 SiS- silicon monosulfide anion sis-  
429 SiS+ silicon monosulfide cation sis+  
430 TiO Titanium monoxide tio  
431 CSe Carbon monoselenide cse  
432 CSe- Carbon monoselenide anion cse-  
433 CSe+ Carbon monoselenide cation cse+  
434 GeO Germanium monoxide geo  
435 GeO+ Germanium monoxide cation geo+  
436 GeS Germanium monosulfide ges  
437 SiSe Silicon Monoselenide sise  
438 SiSe+ Silicon Monoselenide cation sise+  
439 GeSe Germanium monoselenide gese  
440 NO- nitric oxide anion no-  
441 NO+ nitric oxide cation no+  
442 NS- nitrogen sulfide anion ns-  
443 NS+ nitrogen sulfide cation ns+  
444 PO- phosphorus monoxide anion po-  
445 PO+ phosphorus monoxide cation po+  
446 PS- phosphorus monosulfide anion ps-  
447 PS+ phosphorus monosulfide cation ps+  
448 VO Vanadium monoxide vo  
449 AsO Arsenic monoxide aso  
450 NSe Nitrogen monoselenide nse  
451 AsS Arsenic monosulfide ass  
452 PSe Phosphorus monoselenide pse  
453 AsSe Arsenic monoselenide asse  
454 O2- oxygen diatomic anion o2-  
455 O2-- dioxygen dianion o2--  
456 O2+ diatomic oxygen cation o2+  
457 SO- sulfur monoxide anion so-  
458 SO+ sulfur monoxide cation so+  
459 S2- sulfur diatomic anion s2-  
460 S2+ sulfur diatomic cation s2+  
461 SeO Selenium monoxide seo  
462 SeO- selenium monoxide anion seo-  
463 SeO+ selenium monoxide cation seo+  
464 SeS Selenium monosulfide ses  
465 SeS- selenium monosulfide anion ses-  
466 SeS+ selenium monosulfide cation ses+  
467 TeO Tellurium monoxide teo  
468 Se2 Selenium diatomic se2  
469 Se2- selenium diatomic anion se2-  
470 Se2+ selenium diatomic cation se2+  
471 Te2 Tellurium diatomic te2  
472 KOH Potassium hydroxide koh  
473 CaOH Calcium monohydroxide caoh  
474 COH Hydroxymethylidyne coh  
475 COH+ Carbon Monoxide, protonated coh+  
476 HCO- formyl anion hco-  
477 HCO+ Formyl cation hco+  
478 HCS Thioformyl radical hcs  
479 HCS- Thioformyl anion hcs-  
480 HCS+ Thioformyl cation hcs+  
481 HNO- Nitrosyl hydride anion hno-  
482 HNO+ Nitrosyl hydride cation hno+  
483 NOH Hydroxyimidogen noh  
484 NOH+ O-protonated nitric oxide noh+  
485 HNS Sulfur imide hns  
486 HNS- Sulfur imide anion hns-  
487 HO2- Hydroperoxy anion ho2-  
488 HO2+ Hydroperoxy cation ho2+  
489 HSO+ Sulfur Monoxide, S-protonated HSO+  
490 SOH Sulfur Hydroxide soh  
491 SOH+ Sulfur Monoxide, protonated soh+  
492 HS2 Thiosulfeno radical hs2  
493 H2CO- formaldehyde anion h2co-  
494 H2CO+ formaldehyde cation h2co+  
495 HOCH hydroxycarbene hoch  
496 H2CS- thioformaldehyde anion h2cs-  
497 H2CS+ thioformaldehyde cation h2cs+  
498 H2CSe Selenoformaldehyde h2cse  
499 H2NO nitroxide h2no  
500 H2O2+ Hydrogen peroxide cation h2o2+  
501 H2OO water oxide h2oo  
502 HOSH hydrogen thioperoxide hosh  
503 H2S2+ hydrogen disulfide cation h2s2+  
504 H2Se2 hydrogen diselenide h2se2  
505 CH2OH+ hydroxymethyl cation ch2oh+  
506 CH3O Methoxy radical ch3o  
507 CH3O- methoxy anion ch3o-  
508 CH3O+ Methoxy cation ch3o+  
509 H2CSH+ Thioformaldehyde, protonated h2csh+  
510 NH2OH+ Hydroxylamine cation nh2oh+  
511 NH3O Ammonia Oxide nh3o  
512 H2POH Phosphinous acid h2poh  
513 H3PO Phosphine oxide h3po  
514 NH2SH Thiohydroxylamine nh2sh  
515 NH3S sulfidoazane nh3s  
516 H3O2+ hydrogen peroxide, protonated h3o2+  
517 CH3OH- Methyl alcohol anion ch3oh-  
518 CH3OH+ Methyl alcohol cation ch3oh+  
519 CH3SH+ Methanethiol cation ch3sh+  
520 SiH3OH silanol sih3oh  
521 CH3SeH Methane selenol ch3seh  
522 NH2OH2+ protonated hydroxylamine nh2oh2+  
523 NH3OH+ N-protonated hydroxylamine nh3oh+  
524 H2OH2O water dimer h2oh2o  
525 CH3OH2+ Methanol, protonated ch3oh2+  
526 CH3SH2+ protonated methylsulfide ch3sh2+  
527 H2ONH3 Water Ammonia Dimer h2onh3  
528 H5O2+ Dihydroxonium ion h5o2+  
529 LiCl- lithium chloride anion licl-  
530 LiCl+ lithium chloride cation licl+  
531 NaF- sodium fluoride anion naf-  
532 NaF+ sodium fluoride cation naf+  
533 KF Potassium Fluoride kf  
534 NaCl- sodium chloride anion nacl-  
535 NaCl+ sodium chloride cation nacl+  
536 KCl Potassium Chloride kcl  
537 CuF Copper monofluoride cuf  
538 LiBr Lithium Bromide libr  
539 LiBr- lithium bromide anion libr-  
540 LiBr+ lithium bromide cation libr+  
541 CuCl Copper monochloride cucl  
542 NaBr Sodium Bromide nabr  
543 NaBr- sodium bromide anion nabr-  
544 NaBr+ sodium bromide cation nabr+  
545 KBr Potassium Bromide kbr  
546 LiI Lithium Iodide lii  
547 NaI Sodium Iodide nai  
548 KI Potassium Iodide ki  
549 LiF- lithium fluoride anion lif-  
550 LiF+ lithium fluoride cation lif+  
551 BeF- Beryllium monofluoride anion bef-  
552 BeF+ Beryllium monofluoride cation bef+  
553 MgF- magnesium fluoride anion mgf-  
554 MgF+ magnesium fluoride cation mgf+  
555 CaF Calcium monofluoride caf  
556 MgCl- magnesium monochloride anion mgcl-  
557 MgCl+ magnesium monochloride cation mgcl+  
558 CaCl calcium monochloride cacl  
559 TiCl Titanium Monochloride ticl  
560 ZnF Zinc monofluoride znf  
561 ZnF- Zinc monofluoride anion znf-  
562 ZnF+ Zinc monofluoride cation znf+  
563 ZnCl Zinc monochloride zncl  
564 CaBr Calcium monobromide cabr  
565 BeCl- beryllium monochloride anion becl-  
566 BeCl+ beryllium monochloride cation becl+  
567 BF- Boron monofluoride anion bf-  
568 BF+ Boron monofluoride cation bf+  
569 AlF- Aluminum monofluoride anion alf-  
570 AlF+ Aluminum monofluoride cation alf+  
571 BCl- boron monochloride anion bcl-  
572 BCl+ boron monochloride cation bcl+  
573 AlCl Aluminum monochloride alcl  
574 AlCl- aluminum monochloride anion alcl-  
575 AlCl+ aluminum monochloride cation alcl+  
576 ScF Scandium monofluoride scf  
577 BBr Boron monobromide bbr  
578 GaF Gallium monofluoride gaf  
579 GaF+ Gallium monofluoride cation gaf+  
580 AlBr Aluminum monobromide albr  
581 GaCl Gallium monochloride gacl  
582 GaCl+ Gallium monochloride cation gacl+  
583 AlI Aluminum monoiodide ali  
584 GaBr Gallium monobromide gabr  
585 CF- carbon monofluoride anion cf-  
586 CF+ carbon monofluoride cation cf+  
587 CCl- carbon monochloride anion ccl-  
588 CCl+ carbon monochloride cation ccl+  
589 SiF- silicon monofluoride anion sif-  
590 SiF+ silicon monofluoride cation sif+  
591 SiCl- silicon monochloride anion sicl-  
592 SiCl+ silicon monochloride cation sicl+  
593 CBr Carbon monobromide cbr  
594 GeF Germanium monofluoride gef  
595 GeF+ Germanium monofluoride cation gef+  
596 GeCl Germanium monochloride gecl  
597 GeCl+ Germanium monochloride cation gecl+  
598 SiBr Silicon monobromide sibr  
599 SiBr+ Silicon monobromide cation sibr+  
600 NF- nitrogen monofluorine anion nf-  
601 NF+ nitrogen monofluoirde cation nf+  
602 NCl nitrogen monochloride ncl  
603 NCl- nitrogen monochloride anion ncl-  
604 NCl+ nitrogen monochloride cation ncl+  
605 PF- phosphorus monofluoride anion pf-  
606 PF+ phosphorus monofluoride cation pf+  
607 PCl- phosphorus monochloride anion pcl-  
608 PCl+ phosphorus monochloride cation pcl+  
609 AsF Arsenic monofluoride asf  
610 NBr nitrogen monobromide nbr  
611 AsCl Arsenic monochloride ascl  
612 PBr Phosphorus monobromide pbr  
613 SbF Antimony monofluoride sbf  
614 SbCl Antimony monochloride sbcl  
615 FO- flourine oxide anion fo-  
616 FO+ fluorine monoxide cation fo+  
617 ClO- chlorine monoxide anion clo-  
618 ClO+ chlorine monoxide cation clo+  
619 SF- sulfur monofluoride anion sf-  
620 SF+ sulfur monofluoride cation sf+  
621 SCl- sulfur monochloride anion scl-  
622 SCl+ sulfur monochloride cation scl+  
623 BrO Bromine monoxide bro  
624 BrO- Bromine monoxide anion bro-  
625 BrO+ Bromine monoxide cation bro+  
626 SeF Selenium monofluoride sef  
627 SBr Sulfur monobromide radical sbr  
628 SBr+ Sulfur monobromide cation sbr+  
629 SeCl Selenium monochloride secl  
630 IO Iodine monoxide io  
631 SeBr Selenium monobromide sebr  
632 BrCl Bromine monochloride brcl  
633 F2- flourine diatomic anion f2-  
634 F2+ flourine diatomic cation f2+  
635 ClF- clorine monofluoride anion clf-  
636 ClF+ clorine monofluoride cation clf+  
637 Cl2- chlorine diatomic anion cl2-  
638 Cl2+ chlorine diatomic cation cl2+  
639 BrF Bromine monofluoride brf  
640 BrF- bromine fluoride anion brf-  
641 BrF+ bromine fluoride cation brf+  
642 BrCl- bromine chloride anion brcl-  
643 BrCl+ bromine chloride cation brcl+  
644 IF Iodine monofluoride if  
645 Br2 Bromine diatomic br2  
646 Br2- bromine diatomic anion br2-  
647 Br2+ bromine diatomic cation br2+  
648 ICl Iodine monochloride icl  
649 IBr Iodine monobromide ibr  
650 I2 Iodine diatomic i2  
651 I2+ Iodine diatomic cation i2+  
652 HCCl Chloromethylene hccl  
653 HSiF fluorosilylene hsif  
654 HSiCl Chlorosilylene hsicl  
655 HSiBr monobromosilylene hsibr  
656 CHBr bromomethylene chbr  
657 HOCl+ hypochlorous acid cation hocl+  
658 HOBr Hypobromous acid hobr  
659 HOBr+ Hypobromous acid cation hobr+  
660 HOI Hypoiodous acid hoi  
661 F2H+ Fluorine, protonated f2h+  
662 FHF Hydrogen difluoride fhf  
663 FHF- Hydrogen difluoride anion fhf-  
664 ClFH+ Chlorine fluoride, F-protonated clfh+  
665 FClH+ Chlorine fluoride, Cl-protonated fclh+  
666 Cl2H+ Chlorine, protonated cl2h+  
667 CH2Br bromomethyl radical ch2br  
668 CH2F fluoromethyl radical ch2f  
669 CH2F+ fluoromethyl cation ch2f+  
670 CH2Cl+ chloromethyl cation ch2cl+  
671 CH2Cl chloromethyl radical ch2cl  
672 NH2F monofluoroamine nh2f  
673 NH2Cl chloramine nh2cl  
674 CH3F+ methyl fluoride cation ch3f+  
675 CD3F methylfluoride-d3 cd3f  
676 CD3Cl methyl chloride d3 cd3cl  
677 CH3Cl+ Methyl chloride cation ch3cl+  
678 CH3Br methyl bromide ch3br  
679 GeH3F monofluorogermane geh3f  
680 GeH3Cl monochlorogermane geh3cl  
681 SiH3Br bromosilane sih3br  
682 CH3I methyl iodide ch3i  
683 SiH3I Silyl Iodide sih3i  
684 NH3Cl+ protonated monochloroammonia nh3cl+  
685 CH3ClH+ methyl chloride, protonated ch3clh+  
686 NH4Cl Ammonium chloride nh4cl  
687 LiNe+ Lithium Neon cation line+  
688 Ne2 Neon diatomic ne2  
689 Ne2+ Neon diatomic cation ne2+  
690 Ar2 Argon diatomic ar2  
691 Ar2+ Argon diatomic cation ar2+  
692 Li3 Lithium trimer li3  
693 Li3+ Lithium trimer cation li3+  
694 C3 carbon trimer c3  
695 C3+ carbon trimer cation c3+  
696 SiC2 Silicon dicarbide sic2  
697 C3H3 cyclopropenyl radical cpr  
698 C3H3- Propargyl anion c3h3-  
699 C3H3+ cyclopropenyl cation cpr+  
700 C3H3+ Propargyl cation c3h3+  
701 C3H4 cyclopropene cprop  
702 C3H5+ Allyl cation allyl+  
703 CH3CHCH 1-propenyl radical ch3chch  
704 Zn(CH3)2 dimethyl zinc dmz  
705 C3H7+ cyclopropane, protonated c3h7+  
706 CH3CHCH3+ Isopropyl cation prop2yl+  
707 SiH2(CH3)2 dimethylsilane dms  
708 Si3H8 trisilane si3h8  
709 LiCN lithium cyanide licn  
710 NaCN Sodium Cyanide nacn  
711 KCN Potassium cyanide kcn  
712 CuCN Copper cyanide cucn  
713 ZnCN Zinc monocyanide zncn  
714 ZnNC Zinc isocyanide znnc  
715 AlCN Aluminum monocyanide alcn  
716 AlNC Aluminum isocyanide alnc  
717 CN2 3H-Diazirin-3-ylidene cn2  
718 CNN Diazocarbene cnn  
719 NCN Cyanoimidogen ncn  
720 N3 azide radical n3  
721 N3- azide anion n3-  
722 N3+ azide cation n3+  
723 HCCN cyanomethylene hccn  
724 HCNN diazomethyl radical hcnn  
725 HN3 hydrogen azide hn3  
726 HN3+ Hydrazoic acid cation hn3+  
727 HNCNH diiminomethane hncnh  
728 CH2N2 diazirine ch2n2  
729 CH2NN diazomethane ch2nn  
730 NH2CN cyanamide cyanamide  
731 HNNNH+ 1,2-Triazadienium n2h3+  
732 NH2NN+ hydrazoic acid, protonated nh2nn+  
733 CH3CN- acetonitrile anion ch3cn-  
734 CH3CN+ Acetonitrile cation ch3cn+  
735 CH3NC methyl isocyanide ch3nc  
736 CHNCH2 2H-Azirine c157164  
737 CHNHCH 1H-Azirine chnhch  
738 H2CCNH Ethenimine ch2cnh  
739 H2CNCH methyleneaminomethylene ch2nch  
740 HCCNH2 Ethynamine hccnh2  
741 HCNCH2+ 2H-Azirine cation hcnch2+  
742 HNCNH2+ diiminomethane, protonated hncnh2+  
743 NCNH3+ Cyanamide, protonated ncnh3+  
744 NH2CNH+ cyanamide, cn protonated nh2cnh+  
745 NH3CN+ cyanamide, amine protonated nh3cn+  
746 CH2CHNH vinylazine ch2chnh  
747 CH3CHN methylmethaniminyl radical ch3chn  
748 NHCHNH2 aminomethanimine cn2h4  
749 CH2CHNH2 aminoethene aminoethene  
750 CH2NCH3 N-methylmethanimine nmm  
751 CH3CHNH ethanimine ethanimine  
752 NH2BHNH2 diaminoborane nh2bhnh2  
753 C2H5NH+ Protonated Aziridine c2h5nh+  
754 C2H6N+ aziridine, protonated c2h6n+  
755 NH2CH2NH2 diaminomethane nh2ch2nh2  
756 CH3CH2NH2 Ethylamine etam  
757 CH3NHCH3 Dimethylamine ch3nhch3  
758 CH3PHCH3 dimethylphosphine ch3phch3  
759 NH2CH2NH3+ diaminoethane, protonated pdam  
760 (CH3)2NH2+ dimethylammonium cation dmam  
761 CH3CH2NH3+ ethylamine, protonated pea  
762 Li2O dilithium oxide li2o  
763 Li2O+ dilithium oxide cation li2o+  
764 Li2S dilithium sulfide li2s  
765 Na2O disodium monoxide na2o  
766 Na2S Sodium sulfide na2s  
767 LiO2 Lithium dioxide lio2  
768 NaO2 Sodium superoxide nao2  
769 CCO Dicarbon monoxide cco  
770 CNO- fulminate cno-  
771 NCO isocyanato radical nco  
772 NCO- cyanate nco-  
773 SCN thiocyanato radical scn  
774 SCN- thiocyanide anion scn-  
775 BO2 Boron dioxide bo2  
776 BO2- Boron dioxide anion bo2-  
777 BO2+ Boron dioxide cation bo2+  
778 N2O- Nitrous oxide anion n2o-  
779 N2O+ Nitrous oxide cation n2o+  
780 NNS Nitrogen sulfide nns  
781 PPO Phosphorus oxide phosphide ppo  
782 CO2- Carbon dioxide anion co2-  
783 CO2+ Carbon dioxide cation co2+  
784 OCS+ Carbonyl sulfide cation cos+  
785 CS2- Carbon disulfide anion cs2-  
786 CS2+ Carbon disulfide cation cs2+  
787 TiO2 Titanium dioxide tio2  
788 SiS2 Silicon disulfide sis2  
789 GeO2 Germanium dioxide geo2  
790 OCSe Carbonyl selenide ocse  
791 SCSe Carbon sulfide selenide scse  
792 GeS2 Germanium disulfide ges2  
793 CSe2 Carbon diselenide cse2  
794 SCTe Carbon sulfide Telluride scte  
795 NO2- Nitrogen dioxide anion no2-  
796 NO2+ Nitrogen dioxide cation no2+  
797 NSO sulfinyl amidogen NSO  
798 PO2- Phosphorus dioxide anion po2-  
799 PO2+ Phosphorus dioxide cation po2+  
800 SNO Nitrogen oxide sulfide sno  
801 AsO2 Aresenic dioxide aso2  
802 O3- Ozone anion o3-  
803 O3+ Ozone cation o3+  
804 SO2- Sulfur dioxide anion so2-  
805 SO2+ Sulfur dioxide cation so2+  
806 S3 Sulfur trimer s3  
807 S3- Sulfur trimer anion s3-  
808 S3+ Sulfur trimer cation s3+  
809 SeO2 Selenium dioxide seo2  
810 SeO2+ Selenium dioxide cation seo2+  
811 TeO2 Tellurium Dioxide teo2  
812 HCCO ketenyl radical ketenyl  
813 CS2H+ Carbon disulfide, protonated cs2h+  
814 HCNO fulminic acid hcno  
815 HOCN cyanic acid hocn  
816 HNCS Isothiocyanic acid hncs  
817 HSCN thiocyanic acid hscn  
818 HCO2- formate anion hco2-  
819 HNNO nitrosoazane hnno  
820 HNNO+ Nitrous oxide, N-protonated hnno+  
821 NNOH+ Nitrous Oxide, O-protonated nnoh+  
822 HCOO formate neutral radical hcoo  
823 HOCO Hydrocarboxyl radical hoco  
824 HOCO+ Hydrocarboxyl cation hoco+  
825 HNO2+ nitrous acid cation hno2+  
826 O3H+ protonated ozone o3h+  
827 SO2H+ protonated sulfur dioxide so2h+  
828 C2H2O Oxirene oxirene  
829 CH2CO+ Ketene cation ch2co+  
830 HCCOH ethynol hccoh  
831 CH2CS Thioketene ch2cs  
832 Be(OH)2 Beryllium hydroxide beo2h2  
833 Mg(OH)2 Magnesium dihydroxide h2mgo2  
834 NH2NO Nitrosamide nh2no  
835 CH2O2 Dioxirane diox  
836 H2COO Dioxymethyl radical h2coo  
837 H2COO+ dioxymethyl cation h2coo+  
838 H2O3 Hydrogen trioxide h2o3  
839 HSSSH trisulfane hsssh  
840 NaOCH3 Sodium methoxide naoch3  
841 CH2BOH hydroxy(methylene)borane ch2boh  
842 BH3CO Borane carbonyl bh3co  
843 CH3BO Borane, methyloxo- ch3bo  
844 CH2CHO Vinyloxy radical ch2cho  
845 CH2COH+ ketene, protonated ch2coh+  
846 CH3CO- Acetyl anion ch3co-  
847 CH3CO+ acetyl cation ch3co+  
848 CH2NOH formaldoxime ch2noh  
849 CH3NO nitrosomethane ch3no  
850 CHONH2 formamide formamide  
851 CNOH3 1,2-oxaziridine cnoh3  
852 HOCHNH hydroxymethylimine hochnh  
853 CHSNH2 thioformamide chsnh2  
854 NHCHSH Methanimidothioic acid nhchsh  
855 CH2OOH CH2OOH radical ch2ooh  
856 CH3OO methylperoxy radical ch3oo  
857 CH3OO- methylperoxy anion ch3oo-  
858 CH3OO+ methylperoxy cation ch3oo+  
859 C2H4O+ ethylene oxide cation c2h4o+  
860 CH2CHOH ethenol ch2choh  
861 CH3CHO+ acetaldehyde cation ch3cho+  
862 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
863 CH2CHSH Ethenethiol ch2chsh  
864 H2CONH2+ protonated formamide h2conh2+  
865 NH2CHOH+ Formamide, O-protonated nh2choh+  
866 NH3CHO+ Formamide, N-Protonated nh3cho+  
867 CH2(OH)2 methanediol ch2o2h2  
868 CH3OOH Methyl peroxide ch3ooh  
869 CH3SSH Hydrogen methyl disulfide ch3ssh  
870 HSCH2SH Methanedithiol ch4s2  
871 H2OH2CO water formaldehyde dimer h2oh2co  
872 C2H4OH+ ethylene oxide, protonated c2h4oh+  
873 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
874 CH3CH2O Ethoxy radical ethoxy  
875 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
876 CH3CHOH+ acetaldehyde, protonated ch3choh+  
877 CH3OCH2 methoxymethyl radical ch3och2  
878 NH2CH2OH aminomethanol nh2ch2oh  
879 CH3CH2OH Ethanol etoh  
880 CH3SCH3+ dimethyl sulfide cation mesme+  
881 CH3SeCH3 dimethylselenide dmse  
882 CH3OHH2O methanol water dimer ch3ohh2o  
883 H2OCH3OH water methanol dimer h2och3oh  
884 CuF2 Copper difluoride cuf2  
885 ZnF2 Zinc difluoride znf2  
886 CNF iso cyanogen fluoride cnf  
887 FCN Cyanogen fluoride fcn  
888 BrCN Cyanogen bromide brcn  
889 ICN Cyanogen iodide icn  
890 FBO Boron monofluoride monoxide fbo  
891 BeF2 Beryllium fluoride bef2  
892 MgF2 Magnesium fluoride mgf2  
893 BeCl2 Beryllium chloride becl2  
894 MgCl2 Magnesium dichloride mgcl2  
895 CaCl2 Calcium Chloride cacl2  
896 ZnCl2 Zinc dichloride zncl2  
897 BeBr2 Beryllium bromide bebr2  
898 CaBr2 Calcium dibromide cabr2  
899 CaF2 Calcium difluoride caf2  
900 FCO Carbonyl fluoride fco  
901 FCO+ Carbonyl fluoride cation fco+  
902 ClCO carbonyl monochloride clco  
903 BF2 Boron difluoride radical bf2  
904 FNS Thionitrosyl fluoride fns  
905 FSN Thiazyl fluoride fsn  
906 OPCl Phosphorus oxychloride opcl  
907 BrNO Nitrosyl bromide brno  
908 INO Nitrosyl iodide ino  
909 CF2- Difluoromethylene anion cf2-  
910 CF2+ Difluoromethylene cation cf2+  
911 CFCl chlorofluoromethylene cfcl  
912 SiF2 Silicon difluoride sif2  
913 SiF2+ Silicon difluoride cation sif2+  
914 CCl2- dichloromethylene anion ccl2-  
915 CCl2+ dichloromethylene cation ccl2+  
916 GeF2 Germanium difluoride gef2  
917 GeCl2 Germanium dichloride gecl2  
918 CBr2 dibromomethylene cbr2  
919 FOO Dioxygen monofluoride radical foo  
920 FOO+ Fluorine dioxide cation foo+  
921 ClOO+ chloroperoxy cation cloo+  
922 OClO- Chlorine dioxide anion oclo-  
923 OClO+ Chlorine dioxide cation oclo+  
924 ClSO Sulfur chloride oxide clso  
925 ClS2 Sulfur chloride cls2  
926 BrOO Bromine dioxide broo  
927 OBrO Bromine dioxide radical obro  
928 NF2+ Difluoroamino cation nf2+  
929 PF2 Phosphorus difluoride pf2  
930 PF2+ Phosphorus difluoride cation pf2+  
931 FClO chlorosyl fluoride fclo  
932 ClOF Chlorine hypofluorite clof  
933 SF2 sulfur difluoride sf2  
934 SF2- sulfur difluoride anion sf2-  
935 SF2+ sulfur difluoride cation sf2+  
936 SCl2 Sulfur dichloride scl2  
937 SeF2 Selenium difluoride sef2  
938 BrOCl Bromine hypochlorite brocl  
939 SeCl2 Selenium Dichloride secl2  
940 SBr2 Sulfur dibromide sbr2  
941 SeBr2 Selenium dibromide sebr2  
942 BrOBr Bromine oxide brobr  
943 F3- trifluoride anion f3-  
944 Cl3- trichloride anion cl3-  
945 Br3- tribromide anion br3-  
946 I3- triiodide i3-  
947 SFCl Sulfur chloride fluoride sfcl  
948 HCCF Fluoroacetylene hccf  
949 HCCF+ fluoroacetylene cation hccf+  
950 HCCCl Chloroacetylene hcccl  
951 HCCBr bromoacetylene hccbr  
952 HFCO formyl fluoride hfco  
953 HFCO+ formyl fluoride cation hfco+  
954 COHCl Formyl chloride cohcl  
955 COHBr Formyl bromide cohbr  
956 CHCl2 dichloromethyl radical chcl2  
957 CHF2 difluoromethyl radical chf2  
958 CHF2+ difluoromethyl cation chf2+  
959 CHFCl Chlorofluoromethyl radical chfcl  
960 CHFCl+ Chlorofluoromethyl cation chfcl+  
961 CHCl2+ dichloromethyl cation chcl2+  
962 CHBr2 dibromomethyl radical chbr2  
963 HOClO Chlorous acid hoclo  
964 NHF2 difluoramine nhf2  
965 NHCl2 dichloroamine nhcl2  
966 CH2FCl fluorochloromethane ch2fcl  
967 SiH2F2 difluorosilane sih2f2  
968 CH2BrF Methane, bromofluoro- ch2fbr  
969 CH2BrCl Methane, bromochloro- ch2clbr  
970 CH2FI fluoroiodomethane ch2fi  
971 CH2Br2 dibromomethane ch2br2  
972 CH2ClI chloroiodomethane ch2cli  
973 CH2BrI bromoiodomethane ch2bri  
974 CH2I2 Diiodomethane ch2i2  
975 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
976 CH2CHF+ fluoroethene cation ch2chf+  
977 C2H3Br vinyl bromide c2h3br  
978 C2H3I Vinyl iodide c2h3i  
979 CH2FOH fluoromethanol ch2foh  
980 CH3OCl methyl hypochlorite ch3ocl  
981 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
982 CHClCH3 1-chloroethyl radical chclch3  
983 C2H5F fluoroethane c2h5f  
984 CH3SiFH2 fluoromethylsilane ch3sifh2  
985 C2H5Br Ethyl bromide etbr  
986 C2H5I Ethyl iodide c2h5i  
987 KrF2 Krypton difluoride krf2  
988 XeF2 Xenon difluoride xef2  
989 B4H10 Tetraborane(10) b4h10  
990 C4 Carbon tetramer c4  
991 C4+ Carbon tetramer cation c4+  
992 C4H2+ diacetlyene cation c4h2+  
993 C4H4 cyclobutadiene cbd  
994 C4H4 Tetrahedrane c4h4  
995 CHCCH2CH3 1-Butyne c107006  
996 CH3CHCHCH2 methylallyl radical c4h7  
997 C4H8 methylcyclopropane mcp  
998 CH2CHCH2CH3 1-Butene bute1  
999 B(CH3)3 trimethylborane bme3  
1000 Al(CH3)3 trimethyl aluminum tma  
1001 CH3CHCH2CH3 2-Butyl radical butyl2  
1002 SiH(CH3)3 trimethylsilane trimsi  
1003 Li3N trilithium nitride li3n  
1004 C2N2+ Cyanogen cation c2n2+  
1005 As4 Arsenic tetramer as4  
1006 HCCCN Cyanoacetylene hcccn  
1007 HCCCN+ Cyanoacetylene cation hcccn+  
1008 H2CNCN cyanamide, methylene ch2ncn  
1009 HNCCNH Ethenediimine hnccnh  
1010 C3H3N acrylonitrile ch2chcn  
1011 C3H3N+ acrylonitrile cation ch2chcn+  
1012 CH3N3 methyl azide ch3n3  
1013 NH2CCNH2 Diaminoacetylene daa  
1014 NH2CH2CN Aminoacetonitrile aan  
1015 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1016 C2H5CN ethyl cyanide c2h5cn  
1017 CH5N3 Guanidine guanidine  
1018 C4H6 Bicyclo[1.1.0]butane c157335  
1019 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1020 H2NCHCHNH2 diaminoethylene dae  
1021 CH6N3+ guanidinium ch6n3+  
1022 C3H7N Cyclopropylamine cpram  
1023 CH7N3 triaminomethane tam  
1024 C3H7N Azetidine azet  
1025 C2H8N2 Ethylenediamine ethdiam  
1026 CH3NHNHCH3 dimethyl hydrazine dmh  
1027 P(CH3)3 trimethylphosphine tmp  
1028 N(SiH3)3 trisilylamine tsa  
1029 As(CH3)3 trimethyl arsine tmas  
1030 (CH3)3NH+ protonated trimethyl amine ptma  
1031 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1032 Li2O2 dilithium dioxide li2o2  
1033 Na2O2 disodium dioxide na2o2  
1034 K2O2 dipotassium dioxide k2o2  
1035 C3O Tricarbon monoxide c3o  
1036 ONNO NO dimer onno  
1037 S2N2 Disulfur dinitride s2n2  
1038 CO3 Carbon trioxide co3  
1039 CO3-- carbonate co3--  
1040 CS3-- Carbonotrithioate cs3--  
1041 NO3 Nitrogen trioxide no3  
1042 NO3- nitrate anion no3-  
1043 NO3+ nitrogen trioxide cation no3+  
1044 SO3- Sulfur trioxide anion so3-  
1045 SO3-- Sulfate dianion so3--  
1046 SO3+ Sulfur trioxide cation so3+  
1047 SeO3 selenium trioxide seo3  
1048 S4 Sulfur tetramer s4  
1049 TeO3 Tellurium trioxide teo3  
1050 HCO3- bicarbonate anion hco3-  
1051 HSO3 Hydroxysulfonyl radical hso3  
1052 NH2NO2 nitramide nh2no2  
1053 C2H2CO cyclopropenone c2h2co  
1054 C3H2O Propadienal c3h2o  
1055 HCCCHO 2-propynal hcccho  
1056 C2H2O2+ Ethanedial cation c2h2o2+  
1057 H2CO3 Carbonic acid h2co3  
1058 H2CS3 thiocarbonic acid h2cs3  
1059 H2NO3+ Nitric Acid, Protonated h2no3+  
1060 H2SO3 Sulfurous acid h2so3  
1061 C2H3NO Nitrosoethylene c2h3no  
1062 CH3NCO methylisocyante ch3nco  
1063 HOCH2CN cyanomethanol hoch2cn  
1064 CH3COO- acetate anion ch3coo-  
1065 CH3NO2 Methane, nitro- ch3no2  
1066 CH3ONO Methyl nitrite ch3ono  
1067 NH2COOH Carbamic acid nh2cooh  
1068 H3BO3 Boric acid h3bo3  
1069 H3AlO3 Aluminum hydroxide h3alo3  
1070 H3CO3+ carbonic acid, protonated h3co3+  
1071 C3H4O 2-Propyn-1-ol c107197  
1072 C3H4O allenol c9000071  
1073 C3H4O Methylketene c6004440  
1074 CH2CHCHO Acrolein c3h4o  
1075 NH2CONH2+ Urea cation urea+  
1076 C2H4O2 1,3-dioxetane c2h4o2  
1077 CH3COOH Acetic acid ch3cooh  
1078 CH3OCHO methyl formate ch3ocho  
1079 CHOCH2OH hydroxy acetaldehyde haa  
1080 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1081 NH3COOH+ protonated Carbamic acid nh3cooh+  
1082 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1083 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1084 HCOOHH2O Formic acid water dimer hcoohh2o  
1085 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1086 CH3COCH2 Acetonyl radical ch3coch2  
1087 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1088 CH3C(OH)=NH Ethaninidic acid eia  
1089 HCONHCH3 N-methylformamide nmfa  
1090 CH3CSNH2 Ethanethioamide ch3csnh2  
1091 CH5N2O+ urea, N-protonated ch4n2o+  
1092 H2NCOHNH2+ urea, protonated ureah+  
1093 C2H5OO ethylperoxy radical c2h5oo  
1094 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1095 C3H5OH Cyclopropanol cproh  
1096 C3H6O 2-Propen-1-ol c107186  
1097 C3H6O Acetone enol enol  
1098 C3H6O Oxetane oxetane  
1099 CH3COCH3- acetone anion ch3coch3-  
1100 C3H6S Thiirane, methyl- methiirane  
1101 CH3CSCH3 Thioacetone ch3csch3  
1102 C2H6O2 1,2-Ethanediol ethdiol  
1103 CH3OOCH3 dimethylperoxide dmp  
1104 CH3SOCH3 Dimethyl sulfoxide dmso  
1105 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1106 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1107 CH3COHCH3+ acetone, protonated acetoneh+  
1108 HOCH2CH2NH2 monoethanolamine mea  
1109 C3H7OH 1-Propanol proh  
1110 CH3CHOHCH3 Isopropyl alcohol isoproh  
1111 CH3OC2H5 Ethane, methoxy- etome  
1112 CH3CHSHCH3 2-Propanethiol isoprsh  
1113 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1114 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1115 Li2F2 Lithium fluoride dimer li2f2  
1116 Na2F2 Sodium Fluoride Dimer na2f2  
1117 C2F2 difluoroacetylene c2f2  
1118 C2Cl2+ dichloroacetylene cation c2cl2+  
1119 FNO2 Nitryl fluoride fno2  
1120 FONO Nitrosyl hypofluorite fono  
1121 ClONO chlorine nitrite clono  
1122 BrONO Bromine nitrite brono  
1123 CF2O+ Carbonic difluoride cation f2co+  
1124 COFCl Carbonic chloride fluoride cofcl  
1125 CCl2O Phosgene cl2co  
1126 Cl2CS Thiophosgene cl2cs  
1127 COBr2 Carbonic dibromide cobr2  
1128 BF3- Borane, trifluoro- anion bf3-  
1129 BF3+ boron trifluoride cation bf3+  
1130 BClF2 Chlorodifluoroborane bclf2  
1131 ScF3 Scandium trifluoride ScF3  
1132 BCl3+ Boron Trichloride cation bcl3+  
1133 GaF3 Gallium trifluoride gaf3  
1134 GaCl3 Gallium trichloride gacl3  
1135 BBr3 Boron tribromide bbr3  
1136 AlBr3 Aluminum Bromide albr3  
1137 ClO3 Chlorine trioxide clo3  
1138 ClO3- chlorate anion clo3-  
1139 BrO3- Bromate anion bro3-  
1140 CF3- Trifluoromethyl anion cf3-  
1141 CF3+ Trifluoromethyl cation cf3+  
1142 CF2Cl difluorochloromethyl radical cf2cl  
1143 SiF3 Silicon trifluoride radical sif3  
1144 SiF3+ Silicon trifluoride cation sif3+  
1145 CFCl2 dichlorofluoromethyl radical cfcl2  
1146 CCl3- Trichloromethyl anion ccl3-  
1147 CCl3+ Trichloromethyl cation ccl3+  
1148 SiCl3 trichlorosilyl radical sicl3  
1149 SiCl3+ trichlorosilyl cation sicl3+  
1150 CBr3 tribromomethyl radical cbr3  
1151 FOOF Perfluoroperoxide foof  
1152 ClO2F Chloryl fluoride clo2f  
1153 F2SO Thionyl Fluoride f2so  
1154 ClOOCl Dichlorine dioxide cloocl  
1155 FSSF Difluorodisulfane fssf  
1156 S2F2 Thio-thionyl fluoride s2f2  
1157 SOCl2 thionyl chloride socl2  
1158 SSCl2 Thiothionyl chloride sscl2  
1159 SeOCl2 selenium oxychloride seocl2  
1160 NF3- Nitrogen trifluoride anion nf3-  
1161 NF3+ Nitrogen trifluoride cation nf3+  
1162 NCl3 nitrogen trichloride ncl3  
1163 AsF3 Arsenic trifluoride asf3  
1164 SbF3 Antimony Trifluoride sbf3  
1165 AsCl3 Arsenous trichloride ascl3  
1166 SbCl3 Antimony Trichloride sbcl3  
1167 NBr3 Nitrogen Tribromide nbr3  
1168 PBr3 Phosphorus tribromide pbr3  
1169 AsBr3 Arsenic tribromide asbr3  
1170 NI3 Nitrogen triiodide ni3  
1171 PI3 Phosphorus triiodide pi3  
1172 ClSSCl Disulfur dichloride s2cl2  
1173 SF3 Sulfur trifluoride sf3  
1174 ClF3 Chlorine trifluoride clf3  
1175 BrF3 Bromine trifluoride brf3  
1176 IF3 iodone trifluoride if3  
1177 HClO3 Chloric Acid hclo3  
1178 CHF2Cl difluorochloromethane chf2cl  
1179 SiHF3 trifluorosilane sihf3  
1180 CHFCl2 fluorodichloromethane chfcl2  
1181 CDCl3 trichloromethane-d cdcl3  
1182 CHCl3 Chloroform chcl3  
1183 CHBrF2 Methane, bromodifluoro- chbrf2  
1184 CHFClBr fluorochlorobromomethane chfclbr  
1185 CHBrCl2 Methane, bromodichloro- chbrcl2  
1186 CHF2I difluoroiodomethane chf2i  
1187 CHBr2F dibromofluoromethane chbr2f  
1188 CHFClI fluorochloroiodomethane chfcli  
1189 CHCl2I dichloroiodomethane chcl2i  
1190 CHClBr2 Methane, dibromochloro- chclbr2  
1191 CHBr3 bromoform chbr3  
1192 CHI3 Iodoform chi3  
1193 NF3H+ protonated nitrogen trifluoride nf3h+  
1194 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1195 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1196 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1197 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1198 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1199 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1200 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1201 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1202 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1203 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1204 C2H2Br2 1,1-dibromoethene c2h2br2  
1205 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1206 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1207 CH2FCHO Fluoroacetaldehyde ch2fcho  
1208 CH3COF Acetyl fluoride ch3cof  
1209 CH2ClCHO chloroacetaldehyde ch2clcho  
1210 CH3COCl Acetyl Chloride ch3cocl  
1211 C2H4F2 1,2-difluoroethane c2h4f2  
1212 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1213 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1214 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1215 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1216 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1217 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1218 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1219 CH2CFCH3 2-fluoropropene 2fpro  
1220 CH2CHCH2F Allyl Fluoride allylf  
1221 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1222 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1223 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1224 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1225 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1226 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1227 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1228 CH2FCH2CH3 1-Fluoropropane prf1  
1229 CH3CHFCH3 2-Fluoropropane prf2  
1230 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1231 CH3CHClCH3 Propane, 2-chloro- prcl2  
1232 CH3CH2CH2Br n-propyl bromide prbr  
1233 CH3CHBrCH3 i-propyl bromide iprbr  
1234 C3H9O+ trimethyl oxonium cation c3h9o+  
1235 B5H9 pentaborane9 b5h9  
1236 C5H4 pentatetraene ptrene  
1237 C5H5 cyclopentadienyl radical c5h5  
1238 C5H5- cylopentadienyl anion c5h5-  
1239 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1240 C5H6 3-Penten-1-yne, (E)- c2004695  
1241 C5H6 3-Penten-1-yne, (Z)- c1574409  
1242 C5H6 Cyclopropylacetylene c6746947  
1243 C5H6 Propellane propellane  
1244 C5H7 1,3-pentadienyl radical pdyl  
1245 C5H7 cyclopentenyl radical cpyl  
1246 C5H8 1,2-Butadiene, 3-methyl- c598254  
1247 C5H8 1,2-Pentadiene c591957  
1248 C5H8 1,3-Butadiene, 2-methyl- c78795  
1249 C5H8 1,3-Pentadiene, (E)- c2004708  
1250 C5H8 1,3-Pentadiene, (Z)- c1574410  
1251 C5H8 1,4-Pentadiene c591935  
1252 C5H8 1-pentyne a1pentyne  
1253 C5H8 2,3-Pentadiene c591968  
1254 C5H8 Bicyclo[1.1.1]pentane bcp  
1255 C5H8 Cyclobutane, methylene- c1120565  
1256 C5H8 Cyclopentene c142290  
1257 C5H8 Ethenylcyclopropane c693867  
1258 CH3CCCH2CH3 2-Pentyne 2pentyne  
1259 C5H10 1-Butene, 2-methyl- c563462  
1260 C5H10 2-Butene, 2-methyl- c513359  
1261 C5H10 2-Pentene, (E)- c646048  
1262 C5H10 2-Pentene, (Z)- c627203  
1263 C5H10 Cyclopentane c287923  
1264 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1265 CH2CHCH2CH2CH3 1-pentene pentene  
1266 C5H11 2-Methylbut-2-yl radical c4348350  
1267 C5H12 Propane, 2,2-dimethyl- neopentane  
1268 Si(CH3)4 tetramethylsilane tms  
1269 N2O3 Dinitrogen trioxide n2o3  
1270 C3H2N2 Malononitrile c3h2n2  
1271 CH2N4 1H-Tetrazole 1htz  
1272 C3H3N2 imidazolyl radical im  
1273 C3H3N2- imidizolyl anion im-  
1274 C2H3N3 1H-1,2,4-Triazole c288880  
1275 C4H4N pyrrolide radical c4h4n  
1276 C4H4N- pyrrolide anion c4h4n-  
1277 C3H4N2 2H-Imidazole imid2h  
1278 C3H4N2 4H-Imidazole imid4h  
1279 C4H5N (E)-2-Butenenitrile c627269  
1280 C4H5N 2H-pyrrole pyrrole2  
1281 C4H5N 3H-pyrrole pyrrole3  
1282 CH2CHCH2CN Allylcyanide ch2chch2cn  
1283 C4H6N+ pyrrole, alpha-protonated appyr  
1284 C4H6N+ pyrrole, beta-protonated bppyr  
1285 C4H6N+ pyrrole, protonated ppyr  
1286 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1287 CH3CH2CH2CN Butanenitrile c109740  
1288 C5H8 Bicyclo[2.1.0]pentane c185944  
1289 C5H8 Spiropentane c157404  
1290 C4H9N Cyclobutylamine cbam  
1291 C3H10N2 1,2-Diaminopropane diampr12  
1292 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1293 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1294 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1295 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1296 NH(C2H5)2 diethylamine dea  
1297 NC4H12+ tetramethyl ammonium cation nc4h12+  
1298 C3O2+ Carbon suboxide cation c3o2+  
1299 B2O3 diboron trioxide b2o3  
1300 MgCO3 Magnesium Carbonate mgco3  
1301 BeCO3 Beryllium Carbonate beco3  
1302 CaCO3 Calcium Carbonate caco3  
1303 ONONO Nitrosyl nitrite onono  
1304 PO4--- phosphate po4---  
1305 SO4-- sulfate so4--  
1306 HOONO2 peroxy nitric acid hoono2  
1307 HSO4- bisulfate anion hso4-  
1308 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1309 C3H2O2 Propiolic acid c3h2o2  
1310 CHOCOOH oxo acetic acid oaa  
1311 CHOOCHO diformyl ether choocho  
1312 H2SO4 Sulfuric acid h2so4  
1313 H2SeO4 Selenic acid h2seo4  
1314 C3H3NO Isoxazole isox  
1315 C3H3NO Oxazole oxazole  
1316 C3H3NS Thiazole thiazole  
1317 CH3C(O)OO acetyl peroxy radical ch3coo2  
1318 CH3NO3 Methyl nitrate ch3no3  
1319 H3PO4 Phosphoric Acid h3po4  
1320 C4H4O Furan furan  
1321 C4H4O+ Furan cation furan+  
1322 CH3COCCH 3-butyn-2-one c1423605  
1323 C4H4S Thiophene furans  
1324 C4H4Se selenophene c4h4se  
1325 C3H4O2 Methyl glyoxal megly  
1326 C3H4O2 propanedial propanedial  
1327 C3H4O2 propenalol propenalol  
1328 HOCHCCHOH allenediol aldiol  
1329 C2H4O3 1,2,3-trioxolane c2h4o3  
1330 C2H4O3 trioxolane124 triox  
1331 HOCH2COOH Hydroxyacetic acid hac  
1332 CH2CHCONH2 Acrylamide c79061  
1333 CH5N3S Hydrazinecarbothioamide c79196  
1334 H2NCH2COOH Glycine glycine  
1335 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1336 C4H6O cis-2-butenal butenal2c  
1337 C4H6O Furan, 2,3-dihydro- furan23h  
1338 C4H6O Furan, 2,5-dihydro- furan25h  
1339 CH2CHOCHCH2 Vinyl ether vinylether  
1340 CHOCHCHCH3 2-Butenal butenal2  
1341 CH2CHSCHCH2 Divinyl sulfide divis  
1342 C2H6N2O Urea, methyl- c598505  
1343 C3H6O2 1,3-Dioxolane dioxolane  
1344 CH3CH2COOH Propanoic Acid propanoic  
1345 HCOOC2H5 Ethyl formate faee  
1346 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1347 C3H7NO dimethylformamide dmf  
1348 C2H3OC2H5 Ethene, ethoxy- c109922  
1349 C4H8O Cyclobutanol c2919235  
1350 C4H8O Furan, tetrahydro- thf  
1351 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1352 CHOCH2CH2CH3 Butanal butanal  
1353 C3H8O2 1,3-Propanediol c504632  
1354 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1355 C3H8O2 Propylene glycol c57556  
1356 C3H8S2 1,3-Propanedithiol c109808  
1357 C4H10O 1-Butanol butanol1  
1358 C4H10O 1-Propanol, 2-methyl- c78831  
1359 C4H10O 2-Butanol, (.+/-.)- butanol2  
1360 C4H10O Ethoxy ethane etoet  
1361 C4H10O Methyl propyl ether meopr  
1362 C4H10O Propane, 2-methoxy- c598538  
1363 C4H10O+ 1-Butanol cation butanol1+  
1364 C2H5SC2H5 Diethyl sulfide etset  
1365 C4H9SH 1-Butanethiol bush  
1366 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1367 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1368 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1369 FNO3 Fluorine nitrate fno3  
1370 ClONO2 Chlorine nitrate clono2  
1371 BrONO2 Bromine nitrate brono2  
1372 TiCl4 Titanium tetrachloride ticl4  
1373 ClO4- perchlorate anion clo4-  
1374 BF4- tetrafluoroboron anion bf4-  
1375 ClFO3 Perchloryl fluoride clfo3  
1376 SO2F2 Sulfuryl fluoride so2f2  
1377 F3NO Nitrogen trifluoride oxide f3no  
1378 Cl3PO Phosphoryl chloride pcl3o  
1379 CF4 Carbon tetrafluoride cf4  
1380 TiF4 Titanium tetrafluoride tif4  
1381 CFCl3 Trichloromonofluoromethane cfcl3  
1382 CF3Br Bromotrifluoromethane cf3br  
1383 GeF4 Germanium tetrafluoride gef4  
1384 CCl4+ Carbon tetrachloride cation ccl4+  
1385 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1386 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1387 CF3I trifluoroiodomethane cf3i  
1388 CBrCl3 Methane, bromotrichloro- cbrcl3  
1389 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1390 GeCl4 Germanium Tetrachloride gecl4  
1391 CBr2ClF dibromochlorofluoromethane cbr2clf  
1392 CBr2Cl2 dibromodichloromethane cbr2cl2  
1393 CCl3I trichloroiodomethane ccl3i  
1394 CFBr3 fluorotribromomethane cfbr3  
1395 CFClBrI fluorochlorobromoiodomethane cfclbri  
1396 CBr3Cl tribromochloromethane cbr3cl  
1397 CF2I2 difluorodiiodomethane cf2i2  
1398 CBr4 Carbon tetrabromide cbr4  
1399 CCl2I2 dichlorodiiodomethane ccl2i2  
1400 SiBr4 Silicon tetrabromide sibr4  
1401 CBr3I tribromoiododmethane cbr3i  
1402 GeBr4 Germanium tetrabromide gebr4  
1403 CI4 tetraiodomethane ci4  
1404 SiI4 silicon tetraiodide sii4  
1405 ClOF3 Chlorine trifluoride oxide clof3  
1406 SF4 Sulfur tetrafluoride sf4  
1407 SeF4 Selenium tetrafluoride sef4  
1408 SCl4 Sulfur tetrachloride scl4  
1409 C2HF3 Trifluoroethylene c2hf3  
1410 C2HF3+ Trifluoroethylene cation c2hf3+  
1411 CHClCCl2 Trichloroethylene chclccl2  
1412 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1413 HClO4 perchloric acid hclo4  
1414 HSO3F Fluorosulfonic acid hso3f  
1415 CF3OH trifluoromethanol cf3oh  
1416 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1417 CHClCCHCl 1,3-dichloroallene chclcchcl  
1418 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1419 CHCl2CHO dichloroacetaldehyde chcl2cho  
1420 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1421 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1422 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1423 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1424 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1425 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1426 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1427 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1428 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1429 NH3BCl3 Amminetrichloroboron nh3bcl3  
1430 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1431 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1432 C3H5ClO Oxirane, (chloromethyl)- c106898  
1433 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1434 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1435 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1436 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1437 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1438 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1439 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1440 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1441 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1442 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1443 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1444 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1445 C4H9F 1-fluorobutane butaf1  
1446 CH3CHFCH2CH3 2-fluorobutane butaf2  
1447 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1448 XeF4 Xenon tetrafluoride xef4  
1449 C2H2N2O Furazan furazan  
1450 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1451 NH3BF3 Amminetrifluoroboron nh3bf3  
1452 C6H2 hexatriyne c6h2  
1453 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1454 C6H4 Benzyne benzyne  
1455 C6H5- phenyl anion phenyl-  
1456 C6H6 Prismane prismane  
1457 C6H6 1,2,4,5-Hexatetraene ht1245  
1458 C6H6 2,4-Hexadiyne hexadiyne  
1459 C6H6 3,4-Dimethylenecyclobutene cb34m  
1460 C6H6 Benzvalene bv  
1461 C6H6 Dewar Benzene dewar  
1462 C6H6 Hexa-1,5-diene-3-yne hdy153  
1463 C6H6 Trimethylenecycopropane tmcp  
1464 C6H6+ Benzene cation c6h6+  
1465 C6H7+ benzene, protonated c6h7+  
1466 C6H8 (E)-hexa-1,3,5-triene c821078  
1467 C6H8 (E)-hexa-2,3,4-triene c59660650  
1468 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1469 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1470 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1471 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1472 C6H8 3-Methylenecyclopentene c930267  
1473 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1474 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1475 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1476 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1477 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1478 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1479 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1480 C6H10 1,5-Hexadiene c592427  
1481 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1482 C6H10 1-Hexyne hexyne1  
1483 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1484 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1485 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1486 C6H10 2-Hexyne c764352  
1487 C6H10 3-Hexyne hexyne3  
1488 C6H10 cyclohexene cyclohexene  
1489 C6H10 Cyclopentene, 1-methyl- c693890  
1490 C6H10 Cyclopentene, 3-methyl- c1120623  
1491 C6H10 Cyclopentene, 4-methyl- c1759815  
1492 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1493 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1494 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1495 C6H12 (E)-2-Hexene e2hexene  
1496 C6H12 (E)-3-methylpent-2-ene c616126  
1497 C6H12 (E)-hex-3-ene e3hexene  
1498 C6H12 (Z)-3-methylpent-2-ene c922623  
1499 C6H12 (Z)-hex-2-ene z2hexene  
1500 C6H12 (Z)-hex-3-ene z3hexene  
1501 C6H12 2,3-dimethylbut-1-ene c563780  
1502 C6H12 2,3-dimethyl-but-2-ene tmeet  
1503 C6H12 3-methylenepentane c760214  
1504 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1505 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1506 C6H12 Cyclohexane cyclohexane  
1507 C6H12 Cyclopentane, methyl- c96377  
1508 C6H12 Ethylcyclobutane c4806615  
1509 C6H12 hex-1-ene hexene1  
1510 C6H14 Butane, 2,3-dimethyl- buta23  
1511 C6H14 Hexane hexane  
1512 C4N2 2-Butynedinitrile c4n2  
1513 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1514 C4H2N2 Fumaronitrile c4h2n2  
1515 C2H2N4 sym-tetrazine ttz  
1516 CH3N5 5-Aminotetrazole c4418615  
1517 C4H4N2 1,3-Diazine diazine13  
1518 C4H4N2 Succinonitrile c110612  
1519 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1520 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1521 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1522 C5H5N E-2,4-pentadienenitrile bdcn  
1523 B3N3H6 borazine borazine  
1524 C6H6 Fulvene fulvene  
1525 C5H6N+ Pyridinium c5h6n  
1526 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1527 C5H7N (E)-2-Pentenenitrile c26294984  
1528 C5H7N (Z)-2-Pentenenitrile c25899507  
1529 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1530 C5H7N Cyclobutanecarbonitrile c4426113  
1531 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1532 C5H9N Butanenitrile, 2-methyl- c18936179  
1533 C5H9N Pentanenitrile c110598  
1534 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1535 C6H10 Bicyclo[3.1.0]hexane c285585  
1536 C5H11N Cyclopentanamine cypentam  
1537 C4H12N2 1,2-Butanediamine c4426486  
1538 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1539 Li2CO3 Lithium Carbonate li2co3  
1540 Na2CO3 Sodium Carbonate na2co3  
1541 C2O4-- oxalate anion c2o4  
1542 MgSO4 Magnesium Sulfate mgso4  
1543 C3H2O3 vinylene carbonate vica  
1544 C2H2O4 Oxalic Acid oxalic  
1545 C4H4O2 2(5H)-Furanone furanone  
1546 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1547 C2H4N2S2 Ethanedithioamide c79403  
1548 C2H4CO3 Ethylene carbonate etco3  
1549 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1550 C3H4S3 1,3-Dithiolane-2-thione c822388  
1551 C2H4O4 Formic acid dimer fadimer  
1552 C4H5NO 3-Methylisoxazole isox3m  
1553 C4H5NO Isoxazole, 5-methyl- c5765446  
1554 C4H5NS 4-Methylthiazole c693958  
1555 C2H5NO3 Nitric acid, ethyl ester c625581  
1556 C5H6O 2H-Pyran pyran2  
1557 C5H6O 2-methylfuran furan2m  
1558 C5H6O 3-Methylfuran furan3m  
1559 C5H6O Pentadienal pdal  
1560 C5H6S Thiophene, 2-methyl- c554143  
1561 C5H6S Thiophene, 3-methyl- c616444  
1562 C4H6O2 γ–Butyrolactone c96480  
1563 C4H6O2 2,3-Butanedione c431038  
1564 C4H6O2 2-Propenoic acid, methyl ester c96333  
1565 C4H6O2 Crotonic Acid crot  
1566 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1567 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1568 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1569 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1570 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1571 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1572 C4H6OS Vinyl sulfoxide c1115157  
1573 CH6N4S Carbonothioic dihydrazide thiacarb  
1574 C2H6N2O2 (E)-Azodioxymethane c37765154  
1575 C2H6N2O2 Dimethylnitroamine c4164287  
1576 C3H6S3 1,3,5-Trithiane c3h6s3  
1577 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1578 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1579 C4H7NO 2-Pyrrolidinone c616455  
1580 C4H7NO Ethoxyacetonitrile etoaccn  
1581 C4H7NO Methacrylamide c79390  
1582 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1583 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1584 C3H7ONO Propyl nitrite prono  
1585 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1586 CH3CH(NH2)COOH Alanine alanine  
1587 CH3NHCH2COOH Sarcosine sarcosine  
1588 NH2CH2CH2COOH β–alanine betaalanine  
1589 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1590 C5H8O Cyclopentanone c120923  
1591 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1592 C5H8O Methyl cyclopropyl ketone c765435  
1593 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1594 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1595 NH2CONHC2H5 Urea, ethyl- c625525  
1596 C4H8O2 1,3-Dioxane dioxan13  
1597 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1598 C4H8O2 1,4-Dioxane dioxan14  
1599 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1600 C4H8O2 Ethyl acetate c141786  
1601 C4H8OS s-Ethyl thioacetate c625605  
1602 C3H8O3 1,2,3-Propanetriol glycerin  
1603 C3H8O2S (Methylsulfonyl)ethane c594434  
1604 C4H9NO Butanamide c541355  
1605 C4H9NO Propanamide, 2-methyl- c563837  
1606 C5H10O 2-Butanone, 3-methyl- c563804  
1607 C5H10O 2H-Pyran, tetrahydro- c142687  
1608 C5H10O 2-methylbutyraldehyde 2meba  
1609 C5H10O 2-Pentanone mpk  
1610 C5H10O Cyclopentanol c96413  
1611 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1612 C5H10O Pentanal pal  
1613 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1614 C5H10S 3-Ethylthio-1-propene c5296628  
1615 C5H10S Cyclopentanethiol c1679078  
1616 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1617 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1618 C4H10O2 1,1-Dimethoxyethane c534156  
1619 C4H10O2 1,3-Butanediol budiol13  
1620 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1621 C4H10OS Diethyl sulfoxide c70291  
1622 C4H10S2 1,4-Butanedithiol budisl14  
1623 C4H11NO Diethylhydroxylamine c3710847  
1624 C5H12O 1-Butanol, 2-methyl- c137326  
1625 C5H12O 1-Butanol, 3-methyl- c123513  
1626 C5H12O 2-Butanol, 3-methyl- c598754  
1627 C5H12O 2-Pentanol peol2  
1628 C5H12O 3-Pentanol pentan3ol  
1629 C5H12O Butane, 1-methoxy- meobu  
1630 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1631 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1632 C5H12S 1-Butanethiol, 3-methyl- c541311  
1633 C5H12S 1-Pentanethiol c110667  
1634 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1635 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1636 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1637 C5H12S Butane, 1-(methylthio)- c628295  
1638 C5H12S Ethyl propyl sulfide c4110503  
1639 C5H12S Propane, 2-(ethylthio)- c5145993  
1640 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1641 C4F2 difluorobutadiyne c4f2  
1642 ClCOClCO Oxalyl chloride oxcl  
1643 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1644 C2F4+ Tetrafluoroethylene cation c2f4+  
1645 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1646 CF2CCl2 difluorodichloroethylene cf2ccl2  
1647 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1648 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1649 C2FCl3 fluorotrichloroethene c2fcl3  
1650 C2Br4 tetrabromoethene c2br4  
1651 CF3OF Trifluoromethylhypofluorite cf3of  
1652 SiF5- silicon pentafluoride anion sif5-  
1653 SOF4 Sulfur tetrafluoride oxide sof4  
1654 AsF5 Arsenic pentafluoride asf5  
1655 SF5 Sulfur pentafluoride sf5  
1656 SF5+ pentafluoro sulfur cation sf5+  
1657 SbCl5 Antimony pentachloride sbcl5  
1658 BrF5 bromine pentafluoride brf5  
1659 ClF5 chlorinepentafluoride clf5  
1660 IF5 pentafluoroiodine if5  
1661 CF3CHO trifluoroacetaldehyde cf3cho  
1662 CCl3CHO trichloroacetaldehyde ccl3cho  
1663 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1664 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1665 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1666 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1667 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1668 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1669 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1670 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1671 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1672 CF3COOH trifluoroacetic acid cf3cooh  
1673 C4H3ClO Furan, 2-chloro fur2cl  
1674 C4H3ClO Furan,3-chloro fur3cl  
1675 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1676 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1677 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1678 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1679 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1680 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1681 C4H8O2 Butanoic acid bua  
1682 C6H5CH2 benzyl radical benzyl  
1683 C7H7 cycloheptatrienyl radical c7h7  
1684 C7H7+ cycloheptatrienyl cation c7h7+  
1685 C7H8 cycloheptatriene cht  
1686 C7H8 Norbornadiene norbor  
1687 C7H8 Quadricyclane qucy  
1688 C7H12 Norbornane nor  
1689 C7H14 cycloheptane c7h14  
1690 C7H16 2-methylhexane 2mhex  
1691 C7H16 3-methylhexane hex3m  
1692 C7H16 heptane heptane  
1693 CH(CN)3 tricyanomethane mecn3  
1694 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1695 C6H7N 2-Methylpyridine mp  
1696 C6H5NH2 aniline aniline  
1697 C6H13N 2-Methylpiperidine pip2m  
1698 C6H13N cyclohexanamine cham  
1699 C6H15N triethylamine tea  
1700 N2O5 Dinitrogen pentoxide n2o5  
1701 C4H2O3 Maleic Anhydride malan  
1702 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1703 C5H4O2 furfural furfural  
1704 C6H5O phenoxy radical phenoxy  
1705 C5H5NO 2(1H)-Pyridinone c72762006  
1706 C5H5NO 2(3H)-Pyridinone c9000048  
1707 C5H5NO 2(5H)-Pyridinone c9000037  
1708 C5H5NO 2-Pyridinol c109104  
1709 C5H5NO 3(2H)-Pyridinone c9000004  
1710 C5H5NO 3(4H)-Pyridinone c9000026  
1711 C5H5NO 3(6H)-Pyridinone c9000015  
1712 C5H5NO 3-Pyridinol c109002  
1713 C5H5NO 4(1H)-Pryidinone c9000060  
1714 C5H5NO 4(3H)-Pryidinone c9000059  
1715 C5H5NO 4-Pyridinol c626642  
1716 C6H5OH phenol phenol  
1717 C6H6O 2,4-Cyclohexadienone c24599573  
1718 C6H6O 2,5-Cyclohexadienone c5664335  
1719 C6H5SH Benzenethiol phsh  
1720 HO2CCHNH2CH2OH Serine serine  
1721 C5H8O2 Acetylacetone acac  
1722 C4H8O2S Sulfolane sulfolane  
1723 C7H10 Norbornene norbornene  
1724 CH(C2H3)3 trivinyl methane tvm  
1725 C6H10O cyclohexanone chexo  
1726 C6H12O hexanal c6h12o  
1727 C6H12O Oxepane oxepane  
1728 C3H7OC3H7 di-n-propyl ether propr  
1729 F2CCCF2 tetrafluoroallene pfa  
1730 CF3COO- trifluoro acetate anion cf3coo-  
1731 CF3COF trifluoroacetyl fluoride cf3cof  
1732 CF3COCl trifluoroacetyl chloride cf3cocl  
1733 PF6 Hexafluorophosphate neutral pf6  
1734 PF6- Hexafluorophosphate ion pf6-  
1735 SeF6 Selenium hexafluoride sef6  
1736 SF5Cl sulfur chloropentafluoride sf5cl  
1737 CF3CHF2 pentafluoroethane cf3chf2  
1738 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1739 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1740 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1741 CCl3CHCl2 pentachloroethane ccl3chcl2  
1742 C6H5F Fluorobenzene bzf  
1743 C6H5Br bromobenzene bzbr  
1744 C8H6 Calicene calicene  
1745 C6H5CCH phenylacetylene phac  
1746 C8H6 benzocyclobutadiene bcbd  
1747 C8H6 Pentalene pentalene  
1748 C6H5CHCH2 Styrene styrene  
1749 C8H8 cubane cubane  
1750 C8H8 cyclooctatetraene cot  
1751 C6H5CH2CH3 Ethylbenzene etbz  
1752 CH3C6H4CH3 meta-xylene mxylene  
1753 CH3C6H4CH3 paraxylene pxylene  
1754 C8H14 Bicyclo[2.2.2]octane bico222  
1755 C8H16 cyclooctane cyclooct  
1756 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1757 C8H18 Octane c8h18  
1758 C6H5CN phenyl cyanide phcn  
1759 C6H12N2 Triethylenediamine ted  
1760 C4O4-- squarate dianion c4o4--  
1761 S4N4 Tetrasulfur tetranitride s4n4  
1762 S8 Octasulfur s8  
1763 C6H4O2 parabenzoquinone pbq  
1764 C4H4N2O2 Uracil uracil  
1765 C6H5CHO benzaldehyde benzal  
1766 C6H5OCH3 Anisole anisole  
1767 C5H9NO2 Proline proline  
1768 C6H12O2 Methyl pivalate c598981  
1769 C6H12O2 Hexanoic acid hexa  
1770 C4F4 tetrafluorcyclobutadiene c4f4  
1771 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1772 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1773 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1774 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1775 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1776 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1777 C2Cl6 hexachloroethane c2cl6  
1778 IF7 Iodine heptafluoride if7  
1779 C6H4F2 metadifluorobenzene mdfb  
1780 C6H4F2 orthodifluorobenzene odfb  
1781 C6H4F2 1,4-difluorobenzene pdfb  
1782 C6H4Cl2 1,2-dichlorobenzene dcb12  
1783 C6H4Cl2 1,3-dichlorobenzene dcb13  
1784 C6H4Cl2 1,4-dichlorobenzene dcb14  
1785 C6H5NO nitrosobenzene bzno  
1786 C9H8 Indene indene  
1787 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1788 C9H12 n-propyl benzene prbz  
1789 C9H20 Nonane nonane  
1790 C(CN)4 tetracyanomethane c5n4  
1791 C5H4N4 purine purine  
1792 C8H7N Indole indole  
1793 C3H3N3O3 cyanuric acid cyanuric  
1794 C6H5NO2 Nitrobenzene c6h5no2  
1795 C6H5COOH benzoic acid benzo  
1796 CH3COC6H5 acetophenone acph  
1797 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1798 C3F6 hexafluoropropene c3f6  
1799 C6H3F3 Benzene trifluoride 123 bzf3a  
1800 C8H18O 1-Octanol octanol  
1801 C10H8 Azulene azu  
1802 C10H8 naphthalene naph  
1803 C10H10 bullvalene bullv  
1804 C10H16 adamantane adamantane  
1805 C6N4 Tetracyanoethylene tcne  
1806 C6N4- tetracyanoethylene anion tcne-  
1807 C10H22 Decane decane  
1808 C4F6 perfluorobutadiene c4f6  
1809 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1810 C3F8 perfluoropropane c3f8  
1811 Fe(CO)5 Iron pentacarbonyl ipc  
1812 Fe(C5H5)2 ferrocene fecp2  
1813 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1814 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1815 C12H8 Acenaphthylene acenaph  
1816 C12H8 biphenylene biph  
1817 C12H10 biphenyl biphenyl  
1818 C12H10 Heptalene heptalene  
1819 C6H12O6 Inositol inositol  
1820 C6F6 hexafluorobenzene c6f6  
1821 S2F10 disulphur decafluoride s2f10  
1822 C13H10 Fluorene fluorene  
1823 C14H10 Anthracene anth  
1824 C14H10 Phenanthrene phenanthrene  
1825 C14H14 Bibenzyl bibenzyl  
1826 C12H10N2 azobenzene azobenzene  
1827 C6H5COC6H5 benzophenone benzophenone  
1828 C16H10 Pyrene pyrene  
1829 C18H12 Tetracene tetracene  
1830 C19H16 Triphenylmethane tpm  
1831 C24H12 Coronene coronene  
1832 C60 Buckminsterfullerene c60