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

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

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

Jump to calculations not yet done
count Species Name State Conformation
1 D Deuterium atom 1SKh
2 H Hydrogen atom 1SKh
3 H+ Hydrogen atom cation  Kh
4 D2 Deuterium diatomic 1ΣgD∞h
5 H2 Hydrogen diatomic 1ΣgD∞h
6 He Helium atom 1SKh
7 B Boron atom 2PKh
8 Al Aluminum atom 2PKh
9 BH Boron monohydride 1ΣC∞v
10 AlH aluminum monohydride 1ΣC∞v
11 BH2 boron dihydride 2A1C2v
12 AlH2 aluminum dihydride 2A1C2v
13 BH3 boron trihydride 1A1'D3h
14 AlH3 aluminum trihydride 1A1'D3h
15 C Carbon atom 3P0Kh
16 Si Silicon atom 3PKh
17 CH Methylidyne 2Π1/2C∞v
18 SiH Silylidyne 2ΠC∞v
19 CH2 Methylene 3B1C2v
20 SiH2 silicon dihydride 1A1C2v
21 CH3 Methyl radical 2A1D3h
22 SiH3 Silyl radical 2A1C3v
23 CH4 Methane 1A1Td
24 SiH4 Silane 1A1Td
25 P Phosphorus atom 4SKh
26 NH Imidogen 3Σ-C∞v
27 PH phosphorus monohydride 3Σ-C∞v
28 ND2 Amidogen-d2 2B1C2v
29 NH2 Amino radical 2B1C2v
30 PH2 Phosphino radical 2B1C2v
31 ND3 Ammonia-d3 1A1C3v
32 NH3 Ammonia 1A1C3v
33 PH3 Phosphine 1A1C3v
34 O Oxygen atom 3SKh
35 S Sulfur atom 3PKh
36 DO Hydroxyl-d 2ΠC∞v
37 OH Hydroxyl radical 2ΠC∞v
38 DS Mercapto-d 2ΠC∞v
39 HS Mercapto radical 2ΠC∞v
40 D2O Deuterium oxide 1A1C2v
41 H2O Water 1A1C2v
42 HDO Water-d1 1A1C2v
43 D2S Hydrogen sulfide-d2 1A1C2v
44 H2S Hydrogen sulfide 1A1C2v
45 F Fluorine atom 2PKh
46 Cl Chlorine atom 2PKh
47 DF Hydrofluoric acid-d 1ΣC∞v
48 HF Hydrogen fluoride 1ΣC∞v
49 DCl Hydrochloric acid-d 1ΣC∞v
50 HCl Hydrogen chloride 1ΣC∞v
51 Ne Neon atom 1SKh
52 Ar Argon atom 1SKh
53 Al2 Aluminum diatomic 3ΣgD∞h
54 B2H6 Diborane 1AgD2h
55 C2 Carbon diatomic 1Σg+D∞h
56 C2H Ethynyl radical 2ΣC∞v
57 C2H2 Acetylene 1ΣgD∞h
58 C2H3 vinyl 2A'Cs
59 C2H4 Ethylene 1AgD2h
60 C2H5 Ethyl radical 2A'Cs
61 C2H6 Ethane 1A1gD3d
62 CH3SiH3 methyl silane 1A1C3
63 Si2H6 disilane 1EuD3d
64 CN Cyano radical 2ΣC∞v
65 CP Carbon monophosphide 2ΣC∞v
66 SiN Silicon nitride 2ΣC∞v
67 N2 Nitrogen diatomic 1ΣgD∞h
68 PN Phosphorus mononitride 1ΣC∞v
69 P2 Phosphorus diatomic 1ΣgD∞h
70 HCN Hydrogen cyanide 1ΣC∞v
71 HCP Phosphaethyne 1ΣC∞v
72 HPO Hydrogen phosphorus oxide 1A'Cs
73 CH2NH Methanimine 1A'Cs
74 CH2PH Phosphaethene 1A'Cs
75 N2H4 Hydrazine 1AC2
76 P2H4 Diphosphine 1AC2
77 CH3NH2 methyl amine 1A'Cs
78 CH3PH2 Methyl phosphine 1A'Cs
79 BO boron monoxide 2ΣC∞v
80 BS boron sulfide 2ΣC∞v
81 AlS Aluminum sulfide 2ΣC∞v
82 CO Carbon monoxide 1ΣC∞v
83 CS carbon monosulfide 1ΣC∞v
84 SiO Silicon monoxide 1ΣC∞v
85 SiS silicon monosulfide 1ΣC∞v
86 NO Nitric oxide 2ΠC∞v
87 PO Phosphorus monoxide 2ΠC∞v
88 PS phosphorus sulfide 2ΣC∞v
89 O2 Oxygen diatomic 3ΣgD∞h
90 SO Sulfur monoxide 3ΣC∞v
91 S2 Sulfur diatomic 3ΣgD∞h
92 HBO Boron hydride oxide 1ΣC∞v
93 HBS hydrogen boron sulfide 1ΣC∞v
94 HCO Formyl radical 2A'Cs
95 HNO Nitrosyl hydride 1A'Cs
96 HO2 Hydroperoxy radical 2A"Cs
97 H2CO Formaldehyde 1A1C2v
98 H2CS Thioformaldehyde 1A1C2v
99 H2O2 Hydrogen peroxide 1AC2
100 H2S2 Disulfane 1AC2
101 CH2OH Hydroxymethyl radical 2AC1
102 CH3O Methoxy radical 2A'C1
103 CH3S thiomethoxy 2A'C3v
104 NH2OH hydroxylamine 1A'Cs
105 CH3OH Methyl alcohol 1A'Cs
106 CH3SH Methanethiol 1A'Cs
107 BF Boron monofluoride 1ΣC∞v
108 AlF Aluminum monofluoride 1Σ+C∞v
109 BCl boron monochloride 1ΣC∞v
110 CF Fluoromethylidyne 2ΠC∞v
111 CCl carbon monochloride 2ΠC∞v
112 SiF silicon monofluoride 2ΠC∞v
113 SiCl Clorosilylidyne 2ΠC∞v
114 NF nitrogen fluoride 3ΣC∞v
115 PF phosphorus monofluoride 3ΣC∞v
116 PCl phosphorus chloride 3ΣC∞v
117 FO Oxygen monofluoride 2ΠC∞v
118 ClO Monochlorine monoxide 2ΠC∞v
119 SF Monosulfur monofluoride 2ΠC∞v
120 SCl sulfur monochloride 2ΠC∞v
121 F2 Fluorine diatomic 1ΣgD∞h
122 ClF Chlorine monofluoride 1Σ+C∞v
123 Cl2 Chlorine diatomic 1ΣgD∞h
124 HCF Fluoromethylene 1A'Cs
125 HOF Hypofluorous acid 1A'Cs
126 HOCl hypochlorous acid 1A'Cs
127 H2F2 Hydrogen fluoride dimer 1AgCs
128 CH3F Methyl fluoride 1A1C3v
129 CH3Cl Methyl chloride 1A1C3v
130 SiH3F monofluorosilane 1A1C3v
131 SiH3Cl chlorosilane 1A1C1
132 C3H3 Propargyl radical 2B1Cs
133 CH2CCH2 allene 1A1D2d
134 CH3CCH propyne 1A'C3v
135 C3H6 Cyclopropane 1A1'D3h
136 CH2CHCH3 Propene 1A'Cs
137 C3H7 n-Propyl radical 2A"C1
138 C3H8 Propane 1A1C2v
139 CH3CN Acetonitrile 1A1C3v
140 C2H5N Aziridine 1A'C1
141 CH3CH2NH2 Ethylamine 1A'Cs
142 CH3NHCH3 Dimethylamine 1A'Cs
143 BO2 Boron dioxide 2A'D∞h
144 N2O Nitrous oxide 1ΣC∞v
145 CO2 Carbon dioxide 1ΣgD∞h
146 OCS Carbonyl sulfide 1ΣC∞v
147 SiO2 silicon dioxide 1ΣgD∞h
148 CS2 Carbon disulfide 1ΣgD∞h
149 NO2 Nitrogen dioxide 2A1C2v
150 PO2 Phosphorus dioxide 2A1C2v
151 O3 Ozone 1A1Cs
152 SO2 Sulfur dioxide 1A1C2v
153 SSO Disulfur monoxide 1A'Cs
154 HNCO Isocyanic acid 1A'Cs
155 HNO2 Nitrous acid 1A'Cs
156 CH2CO Ketene 1A1C2v
157 HCOOH Formic acid 1A'Cs
158 C2H4O Ethylene oxide 1A1C2v
159 CH3CHO Acetaldehyde 1A'Cs
160 C2H4S Thiirane 1A1C2v
161 CH3CHS Thioacetaldehyde 1A'C1
162 CH3CH2OH Ethanol 1A'Cs
163 CH3OCH3 Dimethyl ether 1A1C2v
164 CH3CH2SH ethanethiol 1A'Cs
165 CH3SCH3 Dimethyl sulfide 1A1C2v
166 ClCN chlorocyanogen 1ΣC∞v
167 FNO Nitrosyl fluoride 1A'Cs
168 ClNO Nitrosyl chloride 1A'Cs
169 CF2 Difluoromethylene 1A1D∞h
170 CCl2 dichloromethylene 1A1C2v
171 SiCl2 Dichlorosilylene 1A1C2v
172 FOO Dioxygen monofluoride radical 2A"Cs
173 ClOO chloroperoxy radical 2A"Cs
174 OClO Chlorine dioxide 2B1D∞h
175 ClS2 Sulfur chloride 2A"Cs
176 NF2 Difluoroamino radical 2B1C2v
177 F2O Difluorine monoxide 1A1C2v
178 Cl2O Dichlorine monoxide 1A1C2v
179 BHF2 Difluoroborane 1A1C2v
180 BHCl2 Borane, dichloro- 1A1C2v
181 CH2F2 Methane, difluoro- 1A1C2v
182 CH2Cl2 Methylene chloride 1A1C2v
183 CH2CHF Ethene, fluoro- 1A'Cs
184 C2H3Cl Ethene, chloro- 1A'Cs
185 CH3CH2Cl Ethyl chloride 1A'Cs
186 C4H6 Cyclobutene 1A1C2v
187 C4H6 Methylenecyclopropane 1A1C2v
188 CH2CCHCH3 1,2-Butadiene 1A'C1
189 CH2CHCHCH2 1,3-Butadiene 1AgC2h
190 CH3CCCH3 2-Butyne 1A1'D3h
191 CH2C(CH3)CH3 1-Propene, 2-methyl- 1A1C2v
192 CH3CHCHCH3 2-Butene, (E)- 1AgC2h
193 CH3CHCHCH3 2-Butene, (Z)- 1A1C2v
194 C(CH3)3 Tert-butyl radical 2A"C3v
195 CH2CH(CH3)2 Isobutyl radical 2A'C1
196 CH3CH(CH3)CH3 Isobutane 1A1C3v
197 CH3CH2CH2CH3 Butane 1AgAnti
198 C2N2 Cyanogen 1ΣgD∞h
199 P4 Phosphorus tetramer 1A1Td
200 C3H3N acrylonitrile 1A'Cs
201 C3H7N Cyclopropylamine 1A'C1
202 C4H8 cyclobutane 1A1D2d
203 CH3CH(NH2)CH3 2-Propanamine 1A'Cs
204 N(CH3)3 Trimethylamine 1A1C3v
205 B2O2 Diboron dioxide 1ΣgD∞h
206 SO3 Sulfur trioxide 1A1'D3h
207 HNO3 Nitric acid 1A'Cs
208 C2H2O2 Ethanedial 1AgC2h
209 CH3NO2 Methane, nitro- 1A'Cs
210 CH3ONO Methyl nitrite 1A'C1
211 C3H4O Cyclopropanone 1A1C2v
212 NH2CONH2 Urea 1AC2
213 NH2CSNH2 Thiourea 1AC2
214 CH3COOH Acetic acid 1A'Cs
215 CH3OCHO methyl formate 1A'Cs
216 CH3CHNOH Acetaldoxime 1A'CS trans
217 CH3CONH2 Acetamide 1A'C1
218 C3H6O Propylene oxide 1AC1
219 CH3CH2CHO Propanal 1A'Cs
220 CH3COCH3 Acetone 1A1C2v
221 C3H6S Thietane 1A'Cs
222 C3H6S Thiirane, methyl- 1AC1
223 C2H6O2 1,2-Ethanediol 1AgC2h
224 CH3SOCH3 Dimethyl sulfoxide 1A'Cs
225 CH2SHCH2SH 1,2-Ethanedithiol 1AgC2h
226 CH3SSCH3 Disulfide, dimethyl 1AC2
227 CH3CHOHCH3 Isopropyl alcohol 1AC1
228 CH3OC2H5 Ethane, methoxy- 1A'Cs
229 C3H7SH 1-Propanethiol 1A'Cs
230 CH3CHSHCH3 2-Propanethiol 1A'Cs
231 CH3SCH2CH3 Ethane, (methylthio)- 1A'Cs
232 ClNO2 Nitryl chloride 1A1C2v
233 N2F2 (Z)-Difluorodiazene 1A1C2v
234 N2F2 Dinitrogen difluoride, (E)- 1AgC2h
235 CF2O Carbonic difluoride 1A1C2v
236 CCl2O Phosgene 1A1C2v
237 BF3 Borane, trifluoro- 1A'D3h
238 AlF3 Aluminum trifluoride 1A1'D3h
239 AlFCl2 Aluminum dichloride fluoride 1A1C2v
240 BCl3 Borane, trichloro- 1A1'D3h
241 AlCl3 Aluminum trichloride 1A1'D3h
242 CF3 Trifluoromethyl radical 2A1C3v
243 NF3 Nitrogen trifluoride 1A1C3v
244 PF3 Phosphorus trifluoride 1A1C3v
245 PCl3 Phosphorus trichloride 1A1C3v
246 CHF3 Methane, trifluoro- 1A1C3v
247 CHCl3 Chloroform 1A1C3v
248 SiHCl3 Trichlorosilane 1A1C3v
249 CH2CF2 Ethene, 1,1-difluoro- 1A1C2v
250 CH2CCl2 Ethene, 1,1-dichloro- 1A1C2v
251 CHClCHCl Ethene, 1,2-dichloro-, (E)- 1AgC2h
252 CHClCHCl Ethene, 1,2-dichloro-, (Z)- 1A1C2v
253 CH3COF Acetyl fluoride 1A'NULL
254 CH3COCl Acetyl Chloride 1A'Cs
255 CH3CHF2 Ethane, 1,1-difluoro- 1A'Cs
256 CH3CHFCl Ethane, 1-chloro-1-fluoro- 1AC1
257 CH2ClCH2Cl Ethane, 1,2-dichloro- 1AgC2h
258 CH3CHCl2 Ethane, 1,1-dichloro- 1A'Cs
259 C5H6 1,3-Cyclopentadiene 1A1C2v
260 C5H12 Pentane 1A1C2v
261 C5H12 Propane, 2,2-dimethyl- 1A1Td
262 C4H5N (Z)-2-Butenenitrile 1A'Cs
263 C4H5N Cyclopropanecarbonitrile 1A'Cs
264 C4H5N Pyrrole 1A1C2v
265 C5H8 Spiropentane 1A1D2d
266 C4H9N Pyrrolidine 1A'Cs
267 C3H10N2 1,2-Diaminopropane 1AC1
268 C3O2 Carbon suboxide 1ΣGD∞h
269 H2SO4 Sulfuric acid 1AC1
270 C3H3NO Isoxazole 1A'Cs
271 CH3NO3 Methyl nitrate 1A'Cs
272 C4H4O Furan 1A1C2
273 C4H4S Thiophene 1A1C2v
274 C3H4O2 β–Propiolactone 1A'Cs
275 C3H4O2 2-Propenoic acid 1A'Cs
276 CH3OCH2CN Methoxyacetonitrile 1A'Cs
277 C4H6O Furan, 2,3-dihydro- 1AC1
278 CH2CHOCHCH2 Vinyl ether 1A1C2v
279 C4H6S Thiophene, 2,3-dihydro- 1AC1
280 C4H6S Thiophene, 2,5-dihydro- 1A1C2v
281 CH2CHSCHCH2 Divinyl sulfide 1AC2v
282 C3H6O2 1,3-Dioxolane 1AC2
283 C2H6O2S Dimethyl sulfone 1A1C2v
284 C3H7NO Propanamide 1A'C1
285 CH2C(CH3)OCH3 1-Propene, 2-methoxy- 1AC1
286 C4H8S Thiophene, tetrahydro- 1AC1
287 C3H8S2 1,3-Propanedithiol 1A1C1
288 C4H10O Ethanol, 1,1-dimethyl- 1A'Cs
289 C4H10O Ethoxy ethane 1A1C2v
290 C(CH3)3SH 2-Propanethiol, 2-methyl- 1A'Cs
291 C2H5SC2H5 Diethyl sulfide 1A1C2v
292 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- 1AC1
293 FNO3 Fluorine nitrate 1A'Cs
294 ClFO3 Perchloryl fluoride 1A1Cs
295 SO2Cl2 Sulfuryl chloride 1A1C2v
296 F3NO Nitrogen trifluoride oxide 1A1C3v
297 F3PO Phosphoryl fluoride 1A1C3v
298 Cl3PO Phosphoryl chloride 1A1C3v
299 CF4 Carbon tetrafluoride 1A1Td
300 CF3Cl Methane, chlorotrifluoro- 1A1C3v
301 SiF4 Silicon tetrafluoride 1A1Td
302 CF2Cl2 difluorodichloromethane 1A1C2v
303 CFCl3 Trichloromonofluoromethane 1A1C3v
304 CCl4 Carbon tetrachloride 1A1Td
305 SiCl4 Silane, tetrachloro- 1A1Td
306 CHClCCl2 Trichloroethylene 1A'Cs
307 HSO3F Fluorosulfonic acid 1AC1
308 CH3CF3 Ethane, 1,1,1-trifluoro- 1A1C3v
309 CH3CCl3 Ethane, 1,1,1-trichloro- 1A1C3v
310 CH2ClCHClCH3 Propane, 1,2-dichloro- 1AC1
311 CH3CCl2CH3 Propane, 2,2-dichloro- 1A1C2v
312 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- 1A1C3v
313 C6H4 (E)-Hexa-1,5-diyne-3-ene 1AgCs
314 C6H4 (Z)-Hexa-1,5-diyne-3-ene 1A1C2v
315 C6H6 Benzene 1A1gD6h
316 C6H8 (Z)-hexa-1,3,5-triene 1A1C2v
317 C6H8 (Z)-hexa-2,3,4-triene 1A1C2v
318 C6H8 1,4-Cyclohexadiene 1AgC2v
319 C6H10 1,3-Hexadiene, (E)- 1A'Cs
320 C6H10 1,3-Hexadiene, (Z)- 1A'Cs
321 C6H10 1,4-Hexadiene, (E)- 1AC1
322 C6H10 1,4-Hexadiene, (Z)- 1AC1
323 C6H10 1-Hexyne 1A'Cs
324 C6H10 2,4-Hexadiene, (E,E)- 1AgC2h
325 C6H10 2,4-Hexadiene, (E,Z)- 1A'Cs
326 C6H10 2,4-Hexadiene, (Z,Z)- 1A'Cs
327 C6H10 3-Hexyne 1A1C2v
328 C6H12 Cyclohexane 1A1gChair
329 C6H12 hex-1-ene 1A'Cs
330 C6H14 Hexane 1AgC2h
331 C6H14 Pentane, 2-methyl- 1AC1
332 C6H14 Pentane, 3-methyl- 1A'Cs
333 C4N2 2-Butynedinitrile 1ΣgD∞h
334 C3H3N3 1,3,5-Triazine 1A1'D3h
335 C4H4N2 1,3-Diazine 1A1C2v
336 C4H4N2 Pyrazine 1AgD2h
337 C4H4N2 Pyridazine 1A1C2v
338 C4H4N2 Succinonitrile 1AgC2h
339 C5H5N Pyridine 1A1C2v
340 C6H6 Fulvene 1A1C2v
341 C5H11N Cyclopentanamine 1A'Cs
342 N2O4 Dinitrogen tetroxide 1AgD2d
343 C2H3NO3 Oxamic acid 1A'H out
344 C2H4N2O2 Oxalamide 1AgC2h
345 C4H5NO 3-Methylisoxazole 1AC1
346 CH6N4S Carbonothioic dihydrazide 1AC2
347 C3H6O3 1,3,5-Trioxane 1A1C1
348 NH2COOC2H5 Urethane 1AC1
349 C4H8O2 1,4-Dioxane 1AgC2h
350 C3H8O3 1,2,3-Propanetriol 1AC1
351 C5H10O 2-Pentanone 1A'Cs
352 C5H10O 3-Pentanone 1A1C2v
353 C5H12O 1-Pentanol 1A'Cs
354 C5H12O 2-Pentanol 1AC1
355 C5H12O Butane, 1-methoxy- 1A'Cs
356 C5H12O Propane, 1-ethoxy- 1A'Cs
357 CF3CN Acetonitrile, trifluoro- 1A1C3v
358 B2F4 Diboron tetrafluoride 1AGD2h
359 B2Cl4 Diboron tetrachloride 1A1D2
360 C2F4 Tetrafluoroethylene 1AgD2h
361 C2Cl4 Tetrachloroethylene 1AgD2h
362 PF5 Phosphorus pentafluoride 1A1'D3h
363 PCl5 Phosphorus pentachloride 1A1'C4v
364 C3H5Cl3 Propane, 1,2,3-trichloro- 1A'Cs
365 C5H11Cl Pentane, 1-chloro- 1A'Cs

Species NOT done yet
count Species Name file name problem
1 D- Deuterium atom anion d-  
2 D+ Deuterium atom cation d+  
3 H- Hydrogen atom anion h-  
4 H2- hydrogen diatomic anion h2-  
5 H2+ Hydrogen cation h2+  
6 HD Deuterium hydride hd  
7 H3+ hydrogen trimer cation h3+  
8 He- Helium atom anion he-  
9 He+ Helium atom cation he+  
10 HeH Helium hydride heh  
11 HeH+ Helium hydride cation heh+  
12 He2+ helium diatomic cation he2+  
13 Li Lithium atom li  
14 Li- Lithium atom anion li-  
15 Li+ Lithium atom cation li+  
16 Na Sodium atom na  
17 Na- Sodium atom anion na-  
18 Na+ Sodium atom cation na+  
19 K Potassium atom k  
20 K- Potassium atom anion k-  
21 K+ Potassium atom cation k+  
22 Cu Copper atom cu  
23 Cu- Copper atom anion cu-  
24 Cu+ Copper atom cation cu+  
25 LiH Lithium Hydride lih  
26 LiH- lithium hydride anion lih-  
27 LiH+ lithium hydride cation lih+  
28 NaH sodium hydride nah  
29 NaH- sodium hydride anion nah-  
30 NaH+ sodium hydride cation nah+  
31 KH Potassium hydride kh  
32 KH+ Potassium hydrogen cation kh+  
33 CuH Copper monohydride cuh  
34 Be Beryllium atom be  
35 Be- Beryllium atom anion be-  
36 Be+ Beryllium atom cation be+  
37 Mg Magnesium atom mg  
38 Mg- Magnesium atom anion mg-  
39 Mg+ Magnesium atom cation mg+  
40 Ca Calcium atom ca  
41 Ca- Calcium atom anion ca-  
42 Ca+ Calcium atom cation ca+  
43 Zn Zinc atom zn  
44 Zn- Zinc atom anion zn-  
45 Zn+ Zinc atom cation zn+  
46 BeH beryllium monohydride beh  
47 BeH- berylium monohydride anion beh-  
48 BeH+ beryllium monohydride cation beh+  
49 MgH magnesium monohydride mgh  
50 MgH- magnesium monohydride anion mgh-  
51 MgH+ magnesium monohydride cation mgh+  
52 CaH Calcium monohydride cah  
53 CaH+ Calcium monohydride cation cah+  
54 TiH Titanium monohydride tih  
55 ZnH Zinc monohydride znh  
56 ZnH+ Zinc, protonated znh+  
57 BeH2 beryllium dihydride beh2  
58 BeH2+ Beryllium dihydride cation beh2+  
59 MgH2 magnesium dihydride mgh2  
60 CaH2 Calcium Hydride cah2  
61 ZnH2 Zinc hydride znh2  
62 B- Boron atom anion b-  
63 B+ Boron atom cation b+  
64 Al- Aluminum atom anion al-  
65 Al+ Aluminum atom cation al+  
66 Sc Scandium atom sc  
67 Sc+ Scandium cation sc+  
68 Ga Gallium atom ga  
69 Ga- Gallium atom anion ga-  
70 Ga+ Gallium atom cation ga+  
71 BH- boron monohydride anion bh-  
72 BH+ boron monohydride cation bh+  
73 AlH- aluminum monohydride anion alh-  
74 AlH+ aluminum monohydride cation alh+  
75 ScH Scandium monohydride sch  
76 ScH+ Scandium monohydride cation sch+  
77 GaH Gallium monohydride gah  
78 GaH+ Gallium monohydride cation gah+  
79 BH2- boron dihydride anion bh2-  
80 BH2+ Boron dihydride cation bh2+  
81 AlH2- aluminum dihydride anion alh2-  
82 AlH2+ aluminum dihydride cation alh2+  
83 BH3- boron trihydride anion bh3-  
84 BH3+ boron trihydride cation bh3+  
85 AlH3- aluminum trihydride anion alh3-  
86 AlH3+ aluminum trihydride cation alh3+  
87 ScH3 Scandium trihydride sch3  
88 GaH3 Gallium trihydride gah3  
89 BH4 borohydride bh4  
90 BH4- borohydride anion bh4-  
91 AlH4- Aluminum tetrahydride anion alh4-  
92 C- Carbon atom anion c-  
93 C+ Carbon atom cation c+  
94 Si- Silicon atom anion si-  
95 Si+ Silicon atom cation si+  
96 Ti Titanium atom ti  
97 Ti- Titanium atom anion ti-  
98 Ti+ Titanium atom cation ti+  
99 Ge Germanium atom ge  
100 Ge- Germanium anion ge-  
101 Ge+ Germanium cation ge+  
102 Sn Tin atom sn  
103 Sn+ Tin cation sn+  
104 CH- methylidyne anion ch-  
105 CH+ Methylidyne cation ch+  
106 SiH- silicon monohydride anion sih-  
107 SiH+ silicon monohydride cation sih+  
108 GeH germylidene geh  
109 GeH+ Germaniun monohyrdide cation geh+  
110 CH2- methylene anion ch2-  
111 CH2+ methylene cation ch2+  
112 SiH2- silicon dihydride anion sih2-  
113 SiH2+ silicon dihydride cation sih2+  
114 GeH2 germylene geh2  
115 GeH2- germylene anion geh2-  
116 CH3- methyl anion ch3-  
117 CH3+ methyl cation ch3+  
118 SiH3- Silyl anion sih3-  
119 SiH3+ Silyl cation sih3+  
120 GeH3 Germyl radical geh3  
121 GeH3+ germyl cation geh3+  
122 CD4 methane-d4 cd4  
123 CH2D2 methane-d2 ch2d2  
124 CH3D methane-d ch3d  
125 CH4- Methane anion ch4-  
126 CH4+ Methane cation ch4+  
127 CHD3 methane-d3 chd3  
128 SiH2D2 silane-d2 sih2d2  
129 SiH4+ Silane cation sih4+  
130 GeH4 Germane geh4  
131 SnH4 Stannane snh4  
132 SiH5+ Silane, protonated sih5+  
133 N Nitrogen atom n  
134 N- Nitrogen atom anion n-  
135 N+ Nitrogen atom cation n+  
136 P- Phosphorus atom anion p-  
137 P+ Phosphorus atom cation p+  
138 V Vanadium atom v  
139 V+ Vanadium atom cation v+  
140 As Arsenic atomic as  
141 As- Arsenic anion as-  
142 As+ Arsenic cation as+  
143 Sb Antimony atom sb  
144 NH- Imidogen anion nh-  
145 NH+ imidogen cation nh+  
146 PH- phosphorus monohydride anion ph-  
147 PH+ phosphorus monohydride cation ph+  
148 AsH Arsenic monohydride ash  
149 AsH+ Arsenic monohydride cation ash+  
150 SbH Antimony monohydride sbh  
151 NH2- amino anion nh2-  
152 NH2+ Amino cation nh2+  
153 PH2- Phosphino anion ph2-  
154 PH2+ Phosphino cation ph2+  
155 AsH2 Arsenic dihydride ash2  
156 AsH2+ Arsenic dihydride cation ash2+  
157 NH3- Ammonia anion nh3-  
158 NH3+ ammonia cation nh3+  
159 PH3+ Phosphine cation ph3+  
160 AsH3 Arsine ash3  
161 AsH3+ Arsine cation ash3+  
162 SbH3 Stibine sbh3  
163 AsH4+ Arsonium ash4+  
164 NH4 Ammonium radical nh4  
165 NH4+ ammonium cation nh4+  
166 PH4 Phosphoranyl radical ph4  
167 PH4+ phosphonium cation ph4+  
168 O- Oxygen atom anion o-  
169 O+ Oxygen atom cation o+  
170 S- Sulfur atom anion s-  
171 S+ Sulfur atom cation s+  
172 Cr Chromium atom cr  
173 Se Selenium atom se  
174 Se- Selenium atom anion se-  
175 Se+ Selenium atom cation se+  
176 Te Tellurium atom te  
177 Te+ Tellurium atom cation te+  
178 OH- hydroxide anion oh-  
179 OH+ hydoxyl cation oh+  
180 HS- mercapto anion sh-  
181 HS+ sulfur monohydride cation sh+  
182 CrH Chromium hydride crh  
183 CrH+ Chromium hydride cation crh+  
184 HSe Selenium monohydride hse  
185 HSe- selenium monohydride anion hse-  
186 HSe+ selenium monohydride cation hse+  
187 TeH Telluryl radical teh  
188 H2O- water anion h2o-  
189 H2O+ water cation h2o+  
190 H2S- Hydrogen sulfide anion h2s-  
191 H2S+ Hydrogen sulfide cation h2s+  
192 H2Se Hydrogen selenide h2se  
193 H2Se+ Hydrogen selenide cation h2se+  
194 H2Te Hydrogen Telluride h2te  
195 H3O+ hydronium cation h3o+  
196 H3S+ Sulfonium cation h3s+  
197 H3Se+ Hydrogen Selenide, protonated h3se+  
198 F- Fluorine atom anion f-  
199 F+ Fluorine atom cation f+  
200 Cl- Chlorine atom anion cl-  
201 Cl+ Chlorine atom cation cl+  
202 Mn Manganese atom mn  
203 Br Bromine atom br  
204 Br- Bromine atom anion br-  
205 Br+ Bromine atom cation br+  
206 I Iodine atom iodine  
207 I- Iodine atom anion iodine-  
208 I+ Iodine atom cation iodine+  
209 HF- hydrogen fluoride anion hf-  
210 HF+ hydrogen fluoride cation hf+  
211 HCl- hydrogen chloride anion hcl-  
212 HCl+ hydrogen chloride cation hcl+  
213 HBr hydrogen bromide hbr  
214 HBr- hydrogen bromide anion hbr-  
215 HBr+ hydrogen bromide cation hbr+  
216 HI Hydrogen iodide hi  
217 HI+ Hydrogen iodide cation hi+  
218 H2F+ dihydrogen fluoride cation h2f+  
219 H2Cl+ dihydrogen monochloride cation h2cl+  
220 H2Br+ protonated hydrogen bromide h2br+  
221 H2I+ Iodonium h2i+  
222 Ne- Neon atom anion ne-  
223 Ne+ Neon atom cation ne+  
224 Ar- Argon atom anion ar-  
225 Ar+ Argon atom cation ar+  
226 Fe Iron atom fe  
227 Kr Krypton atom kr  
228 Kr+ Krypton cation kr+  
229 Xe Xenon atom xe  
230 HeLi+ Helium Lithium cation heli+  
231 NeH neon hydrogen neh  
232 NeH+ neon hydrogen cation neh+  
233 ArH+ Argon hydride cation arh+  
234 KrH+ Protonated Krypton krh+  
235 XeH+ Xenon, protonated xeh+  
236 H2Ar H2 Ar dimer h2ar  
237 Co Cobalt atom cobalt  
238 Ni Nickel atom ni  
239 Li2 Lithium diatomic li2  
240 Li2- lithium diatomic anion li2-  
241 Li2+ lithium diatomic cation li2+  
242 NaLi lithium sodium lina  
243 NaLi- lithium sodium anion lina-  
244 NaLi+ lithium sodium cation lina+  
245 LiK Lithium Potassium lik  
246 Na2 Sodium diatomic na2  
247 Na2- sodium diatomic anion na2-  
248 Na2+ sodium diatomic cation na2+  
249 NaK Sodium Potassium nak  
250 NaK+ Sodium Potassium diatomic cation nak+  
251 K2 Potassium diatomic k2  
252 Cu2 Copper diatomic cu2  
253 LiBe Lithium Beryllium libe  
254 LiMg Lithium magnesium limg  
255 NaBe Sodium Beryllium nabe  
256 NaMg Sodium Magnesium namg  
257 Be2 Beryllium diatomic be2  
258 Be2- Beryllium diatomic anion be2-  
259 Be2+ Beryllium diatomic cation be2+  
260 BeMg Beryllium Magnesium bemg  
261 Mg2 Magnesium diatomic mg2  
262 Mg2- magnesium diatomic anion mg2-  
263 Mg2+ magnesium diatomic cation mg2+  
264 Ca2 Calcium diatomic ca2  
265 LiB Lithium boride lib  
266 LiAl Lithium Aluminum lial  
267 NaAl Sodium aluminum naal  
268 BeB Beryllium monoboride beb  
269 B2 Boron diatomic b2  
270 B2- Boron diatomic anion b2-  
271 B2+ Boron diatomic cation b2+  
272 BAl Boron Aluminum bal  
273 Al2- aluminum diatomic anion al2-  
274 Al2+ aluminum diatomic cation al2+  
275 BGa Boron Gallium bga  
276 AlGa Aluminum Gallium alga  
277 Ga2 Gallium diatomic ga2  
278 HBBH Diborane(2) hbbh  
279 LiBH4 Lithium borohydride libh4  
280 B2H4 Diborane(4) D2d b2h4  
281 HBHHBH Diborane(4) C2V hbhhbh  
282 B2H6+ Diborane cation b2h6  
283 Al2H6 dialane al2h6  
284 Ga2H6 digallane ga2h6  
285 LiC Lithium Carbide lic  
286 BeC Beryllium Carbide bec  
287 CaC Calcium monocarbide cac  
288 BC boron monocarbide bc  
289 BC- boron monocarbide anion bc-  
290 BC+ boron monocarbide cation bc+  
291 AlC Aluminum carbide alc  
292 BSi Boron silicide bsi  
293 C2- carbon diatomic anion c2-  
294 C2+ carbon diatomic cation c2+  
295 SiC silicon monocarbide sic  
296 SiC- silicon monocarbide anion sic-  
297 SiC+ silicon monocarbide cation sic+  
298 Si2 Silicon diatomic si2  
299 Si2- silcon diatomic anion si2-  
300 Si2+ silcon diatomic cation si2+  
301 GeC Germanium monocarbide gec  
302 SiGe Silicon Germanium sige  
303 Ge2 Germanium diatomic ge2  
304 C2H- Ethynyl anion c2h-  
305 C2H+ Ethynyl cation c2h+  
306 ZnCH2 Zinc methylene znch2  
307 C2H2+ acetylene cation c2h2+  
308 CCH2 vinylidene vinylidene  
309 H2CC- vinylidene anion h2cc-  
310 HCCH- acetylene anion c2h2-  
311 Si2H2 disilyne si2h2  
312 CH3Li methyl lithium ch3li  
313 CuCH3 monomethyl copper cuch3  
314 ZnCH3 Zinc monomethyl znch3  
315 CH2BH methyleneborane ch2bh  
316 C2H3- vinyl anion c2h3-  
317 C2H3+ vinyl cation c2h3+  
318 C2H4- Ethylene anion c2h4-  
319 C2H4+ Ethylene cation c2h4+  
320 CH3CH methylmethylene ch3ch  
321 CH2SiH2 silaethylene ch2sih2  
322 Si2H4 Disilene si2h4  
323 CH3BH2 methylborane ch3bh2  
324 C2H5- Ethyl anion c2h5-  
325 C2H5+ Ethyl cation c2h5+  
326 C2H6+ ethane cation c2h6+  
327 GeH3CH3 methyl germane geh3ch3  
328 C2H7+ Ethane, protonated c2h7+  
329 LiN Lithium Nitride lin  
330 LiN+ Lithium Nitride cation lin+  
331 LiP Lithium monophosphide lip  
332 BeN Beryllium mononitride ben  
333 BeN- Beryllium mononitride anion ben-  
334 BeN+ Beryllium mononitride cation ben+  
335 MgN Magnesium Nitride mgn  
336 BN- boron nitride anion bn-  
337 AlN- aluminum mononitride anion aln-  
338 AlN+ aluminum mononitride cation aln+  
339 BP Boron monophosphide bp  
340 AlP Aluminum monophosphide alp  
341 GaN Gallium mononitride gan  
342 GaP Gallium monophosphide gap  
343 GaAs Gallium arsenide gaas  
344 BN boron nitride bn  
345 BN+ boron nitride cation bn+  
346 AlN Aluminum nitride aln  
347 CN- cyanide anion cn-  
348 CN+ Cyano cation cn+  
349 CP- carbon monophosphide anion cp-  
350 CP+ carbon monophosphide cation cp+  
351 SiN- silicon mononitride anion sin-  
352 SiN+ silicon mononitride cation sin+  
353 SiP Silicon monophosphide sip  
354 SiP- Silicon monophosphide anion sip-  
355 SiP+ Silicon monophosphide cation sip+  
356 TiN Titanium mononitride tin  
357 N2- nitrogen diatomic anion n2-  
358 N2+ diatomic nitrogen cation n2+  
359 PN- phosphorus nitride anion pn-  
360 PN+ phosphorus nitride cation pn+  
361 P2- phosphorus diatomic anion p2-  
362 P2+ phosphorus diatomic cation p2+  
363 AsN Arsenic mononitride asn  
364 AsP Arsenic monophosphide asp  
365 SbN Antimony nitride sbn  
366 As2 Arsenic diatomic as2  
367 HNB hydrogen nitrogen boron hnb  
368 HNC hydrogen isocyanide hnc  
369 HCN- Hydrogen cyanide anion hcn-  
370 HCN+ hydrogen cyanide cation hcn+  
371 HNC+ hydrogen isocyanide cation hnc+  
372 HCP+ Phosphaethyne cation hcp+  
373 NNH Dinitrogen monohydride nnh  
374 NNH+ Dinitrogen monohydride cation nnh+  
375 HPO+ Hydrogen phosphorus oxide cation hpo+  
376 LiNH2 lithium amide linh2  
377 HBNH Boranimine hbnh  
378 CNH2 Aminomethylidyne radical cnh2  
379 CNH2+ N-protonated hydrogen isocyanide cnh2+  
380 H2CN Dihydrogen cyanide radical h2cn  
381 H2CN+ hydrocyanonium cation h2cn+  
382 HCNH methyleneazane hcnh  
383 HCNH+ N-protonated HCN hcnh+  
384 H2NN Isodiazene h2nn  
385 N2H2 (E)-diazene n2h2  
386 N2H2 (Z)-Diazene n2h2z  
387 N2H2+ trans-diazene cation n2h2+  
388 CH2NH+ Methanimine cation ch2nh+  
389 CHNH2 aminomethylene chnh2  
390 CHNH2+ Aminocarbene cation chnh2+  
391 BH2NH2 Boranamine bh2nh2  
392 CH2NH2+ methyleneamine cation ch2nh2+  
393 N2H4+ hydrazine cation n2h4+  
394 CH3NH2+ methyl amine cation ch3nh2+  
395 SiH3NH2 Silane, amino sih3nh2  
396 N2H5+ protonated hydrazine n2h5+  
397 BH3PH3 borane phosphine bh3ph3  
398 BH3NH3 borane ammonia bh3nh3  
399 CH3NH3 methyl ammonium radical ch3nh3  
400 CH3NH3+ protonated methylamine ch3nh3+  
401 CH3PH3+ methyl phosphine, protonated ch3ph3+  
402 NH3NH3 Ammonia Dimer nh3nh3  
403 N2H7+ ammonia ammonium dimer n2h7+  
404 LiO lithium oxide lio  
405 LiO- lithium oxide anion lio-  
406 LiO+ lithium oxide cation lio+  
407 LiS Lithium monosulfide lis  
408 LiS+ Lithium sulfide cation lis+  
409 NaO sodium monoxide nao  
410 NaO- sodium oxide anion nao-  
411 NaO+ sodium oxide cation nao+  
412 KO Potassium monoxide ko  
413 KO+ Potassium monoxide cation ko+  
414 NaS Sodium sulfide nas  
415 CuO Copper Monoxide cuo  
416 LiSe Lithium monoselenide lise  
417 BeO beryllium oxide beo  
418 BeO- Beryllium monoxide anion beo-  
419 BeO+ Beryllium monoxide cation beo+  
420 BeS beryllium sulfide bes  
421 MgO magnesium oxide mgo  
422 MgO- magnesium oxide anion mgo-  
423 MgO+ magnesium oxide cation mgo+  
424 CaO Calcium monoxide cao  
425 MgS magnesium sulfide mgs  
426 MgS- magnesium sulfide anion mgs-  
427 MgS+ magnesium sulfide cation mgs+  
428 CaS Calcium sulfide cas  
429 ZnO zinc monoxide zno  
430 ZnS Zinc sulfide zns  
431 BeS- Beryllium monosulfide anion bes-  
432 BeS+ Beryllium monosulfide cation bes+  
433 BO- boron monoxide anion bo-  
434 AlO Aluminum monoxide alo  
435 AlO- Aluminum monoxide anion alo-  
436 AlO+ aluminum monoxide cation alo+  
437 BS- boron monosulfide anion bs-  
438 BS+ boron monosulfide cation bs+  
439 AlS- aluminum monosulfide anion als-  
440 AlS+ aluminum monosulfide cation als+  
441 ScO Scandium monoxide sco  
442 GaO Gallium monoxide gao  
443 GaS Gallium monosulfide gas  
444 BO+ boron monoxide cation bo+  
445 CO- carbon monoxide anion co-  
446 CO+ carbon monoxide cation co+  
447 CS- carbon monosulfide anion cs-  
448 CS+ carbon monosulfide cation cs+  
449 SiO- silicon monoxide anion sio-  
450 SiO+ silicon monoxide cation sio+  
451 SiS- silicon monosulfide anion sis-  
452 SiS+ silicon monosulfide cation sis+  
453 TiO Titanium monoxide tio  
454 CSe Carbon monoselenide cse  
455 CSe- Carbon monoselenide anion cse-  
456 CSe+ Carbon monoselenide cation cse+  
457 GeO Germanium monoxide geo  
458 GeO+ Germanium monoxide cation geo+  
459 GeS Germanium monosulfide ges  
460 SiSe Silicon Monoselenide sise  
461 SiSe+ Silicon Monoselenide cation sise+  
462 GeSe Germanium monoselenide gese  
463 NO- nitric oxide anion no-  
464 NO+ nitric oxide cation no+  
465 NS Mononitrogen monosulfide ns  
466 NS- nitrogen sulfide anion ns-  
467 NS+ nitrogen sulfide cation ns+  
468 PO- phosphorus monoxide anion po-  
469 PO+ phosphorus monoxide cation po+  
470 PS- phosphorus monosulfide anion ps-  
471 PS+ phosphorus monosulfide cation ps+  
472 VO Vanadium monoxide vo  
473 AsO Arsenic monoxide aso  
474 NSe Nitrogen monoselenide nse  
475 AsS Arsenic monosulfide ass  
476 PSe Phosphorus monoselenide pse  
477 AsSe Arsenic monoselenide asse  
478 O2- oxygen diatomic anion o2-  
479 O2-- dioxygen dianion o2--  
480 O2+ diatomic oxygen cation o2+  
481 SO- sulfur monoxide anion so-  
482 SO+ sulfur monoxide cation so+  
483 S2- sulfur diatomic anion s2-  
484 S2+ sulfur diatomic cation s2+  
485 SeO Selenium monoxide seo  
486 SeO- selenium monoxide anion seo-  
487 SeO+ selenium monoxide cation seo+  
488 SeS Selenium monosulfide ses  
489 SeS- selenium monosulfide anion ses-  
490 SeS+ selenium monosulfide cation ses+  
491 TeO Tellurium monoxide teo  
492 Se2 Selenium diatomic se2  
493 Se2- selenium diatomic anion se2-  
494 Se2+ selenium diatomic cation se2+  
495 Te2 Tellurium diatomic te2  
496 LiOH lithium hydroxide lioh  
497 NaOH sodium hydroxide naoh  
498 KOH Potassium hydroxide koh  
499 BeOH beryllium monohydroxide beoh  
500 MgOH magnesium hydroxide mgoh  
501 CaOH Calcium monohydroxide caoh  
502 COH Hydroxymethylidyne coh  
503 COH+ Carbon Monoxide, protonated coh+  
504 HCO- formyl anion hco-  
505 HCO+ Formyl cation hco+  
506 HCS Thioformyl radical hcs  
507 HCS- Thioformyl anion hcs-  
508 HCS+ Thioformyl cation hcs+  
509 HNO- Nitrosyl hydride anion hno-  
510 HNO+ Nitrosyl hydride cation hno+  
511 NOH Hydroxyimidogen noh  
512 NOH+ O-protonated nitric oxide noh+  
513 HNS Sulfur imide hns  
514 HNS- Sulfur imide anion hns-  
515 HO2- Hydroperoxy anion ho2-  
516 HO2+ Hydroperoxy cation ho2+  
517 HSO+ Sulfur Monoxide, S-protonated HSO+  
518 SOH Sulfur Hydroxide soh  
519 SOH+ Sulfur Monoxide, protonated soh+  
520 HS2 Thiosulfeno radical hs2  
521 H2CO- formaldehyde anion h2co-  
522 H2CO+ formaldehyde cation h2co+  
523 HOCH hydroxycarbene hoch  
524 H2CS- thioformaldehyde anion h2cs-  
525 H2CS+ thioformaldehyde cation h2cs+  
526 H2CSe Selenoformaldehyde h2cse  
527 H2NO nitroxide h2no  
528 H2O2+ Hydrogen peroxide cation h2o2+  
529 H2OO water oxide h2oo  
530 HOSH hydrogen thioperoxide hosh  
531 H2S2+ hydrogen disulfide cation h2s2+  
532 H2Se2 hydrogen diselenide h2se2  
533 CH2OH+ hydroxymethyl cation ch2oh+  
534 CH3O- methoxy anion ch3o-  
535 CH3O+ Methoxy cation ch3o+  
536 H2CSH+ Thioformaldehyde, protonated h2csh+  
537 NH2OH+ Hydroxylamine cation nh2oh+  
538 NH3O Ammonia Oxide nh3o  
539 H2POH Phosphinous acid h2poh  
540 H3PO Phosphine oxide h3po  
541 NH2SH Thiohydroxylamine nh2sh  
542 NH3S sulfidoazane nh3s  
543 H3O2+ hydrogen peroxide, protonated h3o2+  
544 CH3OH- Methyl alcohol anion ch3oh-  
545 CH3OH+ Methyl alcohol cation ch3oh+  
546 CH3SH+ Methanethiol cation ch3sh+  
547 SiH3OH silanol sih3oh  
548 CH3SeH Methane selenol ch3seh  
549 NH2OH2+ protonated hydroxylamine nh2oh2+  
550 NH3OH+ N-protonated hydroxylamine nh3oh+  
551 H2OH2O water dimer h2oh2o  
552 CH3OH2+ Methanol, protonated ch3oh2+  
553 CH3SH2+ protonated methylsulfide ch3sh2+  
554 H2ONH3 Water Ammonia Dimer h2onh3  
555 H5O2+ Dihydroxonium ion h5o2+  
556 LiF lithium fluoride lif  
557 LiCl lithium chloride licl  
558 LiCl- lithium chloride anion licl-  
559 LiCl+ lithium chloride cation licl+  
560 NaF sodium fluoride naf  
561 NaF- sodium fluoride anion naf-  
562 NaF+ sodium fluoride cation naf+  
563 KF Potassium Fluoride kf  
564 NaCl Sodium Chloride nacl  
565 NaCl- sodium chloride anion nacl-  
566 NaCl+ sodium chloride cation nacl+  
567 KCl Potassium Chloride kcl  
568 CuF Copper monofluoride cuf  
569 LiBr Lithium Bromide libr  
570 LiBr- lithium bromide anion libr-  
571 LiBr+ lithium bromide cation libr+  
572 CuCl Copper monochloride cucl  
573 NaBr Sodium Bromide nabr  
574 NaBr- sodium bromide anion nabr-  
575 NaBr+ sodium bromide cation nabr+  
576 KBr Potassium Bromide kbr  
577 LiI Lithium Iodide lii  
578 NaI Sodium Iodide nai  
579 KI Potassium Iodide ki  
580 LiF- lithium fluoride anion lif-  
581 LiF+ lithium fluoride cation lif+  
582 BeF Beryllium monofluoride bef  
583 BeF- Beryllium monofluoride anion bef-  
584 BeF+ Beryllium monofluoride cation bef+  
585 BeCl beryllium monochloride becl  
586 MgF Magnesium monofluoride mgf  
587 MgF- magnesium fluoride anion mgf-  
588 MgF+ magnesium fluoride cation mgf+  
589 CaF Calcium monofluoride caf  
590 MgCl magnesium monochloride mgcl  
591 MgCl- magnesium monochloride anion mgcl-  
592 MgCl+ magnesium monochloride cation mgcl+  
593 CaCl calcium monochloride cacl  
594 TiCl Titanium Monochloride ticl  
595 ZnF Zinc monofluoride znf  
596 ZnF- Zinc monofluoride anion znf-  
597 ZnF+ Zinc monofluoride cation znf+  
598 ZnCl Zinc monochloride zncl  
599 CaBr Calcium monobromide cabr  
600 BeCl- beryllium monochloride anion becl-  
601 BeCl+ beryllium monochloride cation becl+  
602 BF- Boron monofluoride anion bf-  
603 BF+ Boron monofluoride cation bf+  
604 AlF- Aluminum monofluoride anion alf-  
605 AlF+ Aluminum monofluoride cation alf+  
606 BCl- boron monochloride anion bcl-  
607 BCl+ boron monochloride cation bcl+  
608 AlCl Aluminum monochloride alcl  
609 AlCl- aluminum monochloride anion alcl-  
610 AlCl+ aluminum monochloride cation alcl+  
611 ScF Scandium monofluoride scf  
612 BBr Boron monobromide bbr  
613 GaF Gallium monofluoride gaf  
614 GaF+ Gallium monofluoride cation gaf+  
615 AlBr Aluminum monobromide albr  
616 GaCl Gallium monochloride gacl  
617 GaCl+ Gallium monochloride cation gacl+  
618 AlI Aluminum monoiodide ali  
619 GaBr Gallium monobromide gabr  
620 CF- carbon monofluoride anion cf-  
621 CF+ carbon monofluoride cation cf+  
622 CCl- carbon monochloride anion ccl-  
623 CCl+ carbon monochloride cation ccl+  
624 SiF- silicon monofluoride anion sif-  
625 SiF+ silicon monofluoride cation sif+  
626 SiCl- silicon monochloride anion sicl-  
627 SiCl+ silicon monochloride cation sicl+  
628 CBr Carbon monobromide cbr  
629 GeF Germanium monofluoride gef  
630 GeF+ Germanium monofluoride cation gef+  
631 GeCl Germanium monochloride gecl  
632 GeCl+ Germanium monochloride cation gecl+  
633 SiBr Silicon monobromide sibr  
634 SiBr+ Silicon monobromide cation sibr+  
635 NF- nitrogen monofluorine anion nf-  
636 NF+ nitrogen monofluoirde cation nf+  
637 NCl nitrogen monochloride ncl  
638 NCl- nitrogen monochloride anion ncl-  
639 NCl+ nitrogen monochloride cation ncl+  
640 PF- phosphorus monofluoride anion pf-  
641 PF+ phosphorus monofluoride cation pf+  
642 PCl- phosphorus monochloride anion pcl-  
643 PCl+ phosphorus monochloride cation pcl+  
644 AsF Arsenic monofluoride asf  
645 NBr nitrogen monobromide nbr  
646 AsCl Arsenic monochloride ascl  
647 PBr Phosphorus monobromide pbr  
648 SbF Antimony monofluoride sbf  
649 SbCl Antimony monochloride sbcl  
650 FO- flourine oxide anion fo-  
651 FO+ fluorine monoxide cation fo+  
652 ClO- chlorine monoxide anion clo-  
653 ClO+ chlorine monoxide cation clo+  
654 SF- sulfur monofluoride anion sf-  
655 SF+ sulfur monofluoride cation sf+  
656 SCl- sulfur monochloride anion scl-  
657 SCl+ sulfur monochloride cation scl+  
658 BrO Bromine monoxide bro  
659 BrO- Bromine monoxide anion bro-  
660 BrO+ Bromine monoxide cation bro+  
661 SeF Selenium monofluoride sef  
662 SBr Sulfur monobromide radical sbr  
663 SBr+ Sulfur monobromide cation sbr+  
664 SeCl Selenium monochloride secl  
665 IO Iodine monoxide io  
666 SeBr Selenium monobromide sebr  
667 BrCl Bromine monochloride brcl  
668 F2- flourine diatomic anion f2-  
669 F2+ flourine diatomic cation f2+  
670 ClF- clorine monofluoride anion clf-  
671 ClF+ clorine monofluoride cation clf+  
672 Cl2- chlorine diatomic anion cl2-  
673 Cl2+ chlorine diatomic cation cl2+  
674 BrF Bromine monofluoride brf  
675 BrF- bromine fluoride anion brf-  
676 BrF+ bromine fluoride cation brf+  
677 BrCl- bromine chloride anion brcl-  
678 BrCl+ bromine chloride cation brcl+  
679 IF Iodine monofluoride if  
680 Br2 Bromine diatomic br2  
681 Br2- bromine diatomic anion br2-  
682 Br2+ bromine diatomic cation br2+  
683 ICl Iodine monochloride icl  
684 IBr Iodine monobromide ibr  
685 I2 Iodine diatomic i2  
686 I2+ Iodine diatomic cation i2+  
687 HCCl Chloromethylene hccl  
688 HSiF fluorosilylene hsif  
689 HSiCl Chlorosilylene hsicl  
690 HSiBr monobromosilylene hsibr  
691 CHBr bromomethylene chbr  
692 DOCl Hypochlorous acid-d docl  
693 HOCl+ hypochlorous acid cation hocl+  
694 HOBr Hypobromous acid hobr  
695 HOBr+ Hypobromous acid cation hobr+  
696 HOI Hypoiodous acid hoi  
697 F2H+ Fluorine, protonated f2h+  
698 FHF Hydrogen difluoride fhf  
699 FHF- Hydrogen difluoride anion fhf-  
700 ClFH+ Chlorine fluoride, F-protonated clfh+  
701 FClH+ Chlorine fluoride, Cl-protonated fclh+  
702 Cl2H+ Chlorine, protonated cl2h+  
703 CH2Br bromomethyl radical ch2br  
704 CH2F fluoromethyl radical ch2f  
705 CH2F+ fluoromethyl cation ch2f+  
706 CH2Cl+ chloromethyl cation ch2cl+  
707 CH2Cl chloromethyl radical ch2cl  
708 NH2F monofluoroamine nh2f  
709 NH2Cl chloramine nh2cl  
710 CH3F+ methyl fluoride cation ch3f+  
711 CD3F methylfluoride-d3 cd3f  
712 CD3Cl methyl chloride d3 cd3cl  
713 CH3Cl+ Methyl chloride cation ch3cl+  
714 CH3Br methyl bromide ch3br  
715 GeH3F monofluorogermane geh3f  
716 GeH3Cl monochlorogermane geh3cl  
717 SiH3Br bromosilane sih3br  
718 CH3I methyl iodide ch3i  
719 SiH3I Silyl Iodide sih3i  
720 NH3Cl+ protonated monochloroammonia nh3cl+  
721 CH3ClH+ methyl chloride, protonated ch3clh+  
722 NH4Cl Ammonium chloride nh4cl  
723 LiNe+ Lithium Neon cation line+  
724 Ne2 Neon diatomic ne2  
725 Ne2+ Neon diatomic cation ne2+  
726 Ar2 Argon diatomic ar2  
727 Ar2+ Argon diatomic cation ar2+  
728 Li3 Lithium trimer li3  
729 Li3+ Lithium trimer cation li3+  
730 C3 carbon trimer c3  
731 C3+ carbon trimer cation c3+  
732 SiC2 Silicon dicarbide sic2  
733 C3H3 cyclopropenyl radical cpr  
734 C3H3- Propargyl anion c3h3-  
735 C3H3+ cyclopropenyl cation cpr+  
736 C3H3+ Propargyl cation c3h3+  
737 C3H4 cyclopropene cprop  
738 C3H5 Allyl radical allyl  
739 C3H5+ Allyl cation allyl+  
740 CH3CHCH 1-propenyl radical ch3chch  
741 Zn(CH3)2 dimethyl zinc dmz  
742 C3H7+ cyclopropane, protonated c3h7+  
743 CH3CHCH3 Isopropyl radical isopropyl  
744 CH3CHCH3+ Isopropyl cation prop2yl+  
745 SiH2(CH3)2 dimethylsilane dms  
746 Si3H8 trisilane si3h8  
747 LiCN lithium cyanide licn  
748 NaCN Sodium Cyanide nacn  
749 KCN Potassium cyanide kcn  
750 CuCN Copper cyanide cucn  
751 ZnCN Zinc monocyanide zncn  
752 ZnNC Zinc isocyanide znnc  
753 AlCN Aluminum monocyanide alcn  
754 AlNC Aluminum isocyanide alnc  
755 CN2 3H-Diazirin-3-ylidene cn2  
756 CNN Diazocarbene cnn  
757 NCN Cyanoimidogen ncn  
758 N3 azide radical n3  
759 N3- azide anion n3-  
760 N3+ azide cation n3+  
761 HCCN cyanomethylene hccn  
762 HCNN diazomethyl radical hcnn  
763 HN3 hydrogen azide hn3  
764 HN3+ Hydrazoic acid cation hn3+  
765 HNCNH diiminomethane hncnh  
766 CH2N2 diazirine ch2n2  
767 CH2NN diazomethane ch2nn  
768 NH2CN cyanamide cyanamide  
769 HNNNH+ 1,2-Triazadienium n2h3+  
770 NH2NN+ hydrazoic acid, protonated nh2nn+  
771 CH3CN- acetonitrile anion ch3cn-  
772 CH3CN+ Acetonitrile cation ch3cn+  
773 CH3NC methyl isocyanide ch3nc  
774 CHNCH2 2H-Azirine c157164  
775 CHNHCH 1H-Azirine chnhch  
776 H2CCNH Ethenimine ch2cnh  
777 H2CNCH methyleneaminomethylene ch2nch  
778 HCCNH2 Ethynamine hccnh2  
779 HCNCH2+ 2H-Azirine cation hcnch2+  
780 HNCNH2+ diiminomethane, protonated hncnh2+  
781 NCNH3+ Cyanamide, protonated ncnh3+  
782 NH2CNH+ cyanamide, cn protonated nh2cnh+  
783 NH3CN+ cyanamide, amine protonated nh3cn+  
784 CH2CHNH vinylazine ch2chnh  
785 CH3CHN methylmethaniminyl radical ch3chn  
786 NHCHNH2 aminomethanimine cn2h4  
787 CH2CHNH2 aminoethene aminoethene  
788 CH2NCH3 N-methylmethanimine nmm  
789 CH3CHNH ethanimine ethanimine  
790 NH2BHNH2 diaminoborane nh2bhnh2  
791 C2H5NH+ Protonated Aziridine c2h5nh+  
792 C2H6N+ aziridine, protonated c2h6n+  
793 NH2CH2NH2 diaminomethane nh2ch2nh2  
794 CH3PHCH3 dimethylphosphine ch3phch3  
795 NH2CH2NH3+ diaminoethane, protonated pdam  
796 (CH3)2NH2+ dimethylammonium cation dmam  
797 CH3CH2NH3+ ethylamine, protonated pea  
798 Li2O dilithium oxide li2o  
799 Li2O+ dilithium oxide cation li2o+  
800 Li2S dilithium sulfide li2s  
801 Na2O disodium monoxide na2o  
802 Na2S Sodium sulfide na2s  
803 LiO2 Lithium dioxide lio2  
804 NaO2 Sodium superoxide nao2  
805 CCO Dicarbon monoxide cco  
806 CNO- fulminate cno-  
807 NCO isocyanato radical nco  
808 NCO- cyanate nco-  
809 SCN thiocyanato radical scn  
810 SCN- thiocyanide anion scn-  
811 BO2- Boron dioxide anion bo2-  
812 BO2+ Boron dioxide cation bo2+  
813 N2O- Nitrous oxide anion n2o-  
814 N2O+ Nitrous oxide cation n2o+  
815 NNS Nitrogen sulfide nns  
816 PPO Phosphorus oxide phosphide ppo  
817 CO2- Carbon dioxide anion co2-  
818 CO2+ Carbon dioxide cation co2+  
819 OCS+ Carbonyl sulfide cation cos+  
820 CS2- Carbon disulfide anion cs2-  
821 CS2+ Carbon disulfide cation cs2+  
822 TiO2 Titanium dioxide tio2  
823 SiS2 Silicon disulfide sis2  
824 GeO2 Germanium dioxide geo2  
825 OCSe Carbonyl selenide ocse  
826 SCSe Carbon sulfide selenide scse  
827 GeS2 Germanium disulfide ges2  
828 CSe2 Carbon diselenide cse2  
829 SCTe Carbon sulfide Telluride scte  
830 NO2- Nitrogen dioxide anion no2-  
831 NO2+ Nitrogen dioxide cation no2+  
832 NSO sulfinyl amidogen NSO  
833 PO2- Phosphorus dioxide anion po2-  
834 PO2+ Phosphorus dioxide cation po2+  
835 SNO Nitrogen oxide sulfide sno  
836 AsO2 Aresenic dioxide aso2  
837 O3- Ozone anion o3-  
838 O3+ Ozone cation o3+  
839 SO2- Sulfur dioxide anion so2-  
840 SO2+ Sulfur dioxide cation so2+  
841 S3 Sulfur trimer s3  
842 S3- Sulfur trimer anion s3-  
843 S3+ Sulfur trimer cation s3+  
844 SeO2 Selenium dioxide seo2  
845 SeO2+ Selenium dioxide cation seo2+  
846 TeO2 Tellurium Dioxide teo2  
847 HCCO ketenyl radical ketenyl  
848 CS2H+ Carbon disulfide, protonated cs2h+  
849 HCNO fulminic acid hcno  
850 HOCN cyanic acid hocn  
851 HNCS Isothiocyanic acid hncs  
852 HSCN thiocyanic acid hscn  
853 HCO2- formate anion hco2-  
854 HNNO nitrosoazane hnno  
855 HNNO+ Nitrous oxide, N-protonated hnno+  
856 NNOH+ Nitrous Oxide, O-protonated nnoh+  
857 HCOO formate neutral radical hcoo  
858 HOCO Hydrocarboxyl radical hoco  
859 HOCO+ Hydrocarboxyl cation hoco+  
860 HNO2+ nitrous acid cation hno2+  
861 O3H+ protonated ozone o3h+  
862 SO2H+ protonated sulfur dioxide so2h+  
863 C2H2O Oxirene oxirene  
864 CH2CO+ Ketene cation ch2co+  
865 HCCOH ethynol hccoh  
866 CH2CS Thioketene ch2cs  
867 Be(OH)2 Beryllium hydroxide beo2h2  
868 Mg(OH)2 Magnesium dihydroxide h2mgo2  
869 NH2NO Nitrosamide nh2no  
870 CH2O2 Dioxirane diox  
871 H2COO Dioxymethyl radical h2coo  
872 H2COO+ dioxymethyl cation h2coo+  
873 H2O3 Hydrogen trioxide h2o3  
874 HSSSH trisulfane hsssh  
875 NaOCH3 Sodium methoxide naoch3  
876 CH2BOH hydroxy(methylene)borane ch2boh  
877 BH3CO Borane carbonyl bh3co  
878 CH3BO Borane, methyloxo- ch3bo  
879 CH2CHO Vinyloxy radical ch2cho  
880 CH2COH+ ketene, protonated ch2coh+  
881 CH3CO Acetyl radical ch3co  
882 CH3CO- Acetyl anion ch3co-  
883 CH3CO+ acetyl cation ch3co+  
884 CH2NOH formaldoxime ch2noh  
885 CH3NO nitrosomethane ch3no  
886 CHONH2 formamide formamide  
887 CNOH3 1,2-oxaziridine cnoh3  
888 HOCHNH hydroxymethylimine hochnh  
889 CHSNH2 thioformamide chsnh2  
890 NHCHSH Methanimidothioic acid nhchsh  
891 CH2OOH CH2OOH radical ch2ooh  
892 CH3OO methylperoxy radical ch3oo  
893 CH3OO- methylperoxy anion ch3oo-  
894 CH3OO+ methylperoxy cation ch3oo+  
895 C2H4O+ ethylene oxide cation c2h4o+  
896 CH2CHOH ethenol ch2choh  
897 CH3CHO+ acetaldehyde cation ch3cho+  
898 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
899 CH2CHSH Ethenethiol ch2chsh  
900 H2CONH2+ protonated formamide h2conh2+  
901 NH2CHOH+ Formamide, O-protonated nh2choh+  
902 NH3CHO+ Formamide, N-Protonated nh3cho+  
903 CH2(OH)2 methanediol ch2o2h2  
904 CH3OOH Methyl peroxide ch3ooh  
905 CH3SSH Hydrogen methyl disulfide ch3ssh  
906 HSCH2SH Methanedithiol ch4s2  
907 H2OH2CO water formaldehyde dimer h2oh2co  
908 C2H4OH+ ethylene oxide, protonated c2h4oh+  
909 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
910 CH3CH2O Ethoxy radical ethoxy  
911 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
912 CH3CHOH+ acetaldehyde, protonated ch3choh+  
913 CH3OCH2 methoxymethyl radical ch3och2  
914 NH2CH2OH aminomethanol nh2ch2oh  
915 CH3SCH3+ dimethyl sulfide cation mesme+  
916 CH3SeCH3 dimethylselenide dmse  
917 CH3OHH2O methanol water dimer ch3ohh2o  
918 H2OCH3OH water methanol dimer h2och3oh  
919 CuF2 Copper difluoride cuf2  
920 ZnF2 Zinc difluoride znf2  
921 CNF iso cyanogen fluoride cnf  
922 FCN Cyanogen fluoride fcn  
923 BrCN Cyanogen bromide brcn  
924 ICN Cyanogen iodide icn  
925 FBO Boron monofluoride monoxide fbo  
926 BeF2 Beryllium fluoride bef2  
927 MgF2 Magnesium fluoride mgf2  
928 BeCl2 Beryllium chloride becl2  
929 MgCl2 Magnesium dichloride mgcl2  
930 CaCl2 Calcium Chloride cacl2  
931 ZnCl2 Zinc dichloride zncl2  
932 BeBr2 Beryllium bromide bebr2  
933 CaBr2 Calcium dibromide cabr2  
934 CaF2 Calcium difluoride caf2  
935 FCO Carbonyl fluoride fco  
936 FCO+ Carbonyl fluoride cation fco+  
937 ClCO carbonyl monochloride clco  
938 BF2 Boron difluoride radical bf2  
939 FNS Thionitrosyl fluoride fns  
940 FSN Thiazyl fluoride fsn  
941 OPCl Phosphorus oxychloride opcl  
942 BrNO Nitrosyl bromide brno  
943 INO Nitrosyl iodide ino  
944 CF2- Difluoromethylene anion cf2-  
945 CF2+ Difluoromethylene cation cf2+  
946 CFCl chlorofluoromethylene cfcl  
947 SiF2 Silicon difluoride sif2  
948 SiF2+ Silicon difluoride cation sif2+  
949 CCl2- dichloromethylene anion ccl2-  
950 CCl2+ dichloromethylene cation ccl2+  
951 GeF2 Germanium difluoride gef2  
952 GeCl2 Germanium dichloride gecl2  
953 CBr2 dibromomethylene cbr2  
954 FOO+ Fluorine dioxide cation foo+  
955 ClOO+ chloroperoxy cation cloo+  
956 OClO- Chlorine dioxide anion oclo-  
957 OClO+ Chlorine dioxide cation oclo+  
958 ClSO Sulfur chloride oxide clso  
959 BrOO Bromine dioxide broo  
960 OBrO Bromine dioxide radical obro  
961 NF2+ Difluoroamino cation nf2+  
962 PF2 Phosphorus difluoride pf2  
963 PF2+ Phosphorus difluoride cation pf2+  
964 FClO chlorosyl fluoride fclo  
965 ClOF Chlorine hypofluorite clof  
966 SF2 sulfur difluoride sf2  
967 SF2- sulfur difluoride anion sf2-  
968 SF2+ sulfur difluoride cation sf2+  
969 SCl2 Sulfur dichloride scl2  
970 SeF2 Selenium difluoride sef2  
971 BrOCl Bromine hypochlorite brocl  
972 SeCl2 Selenium Dichloride secl2  
973 SBr2 Sulfur dibromide sbr2  
974 SeBr2 Selenium dibromide sebr2  
975 BrOBr Bromine oxide brobr  
976 F3- trifluoride anion f3-  
977 Cl3- trichloride anion cl3-  
978 Br3- tribromide anion br3-  
979 I3- triiodide i3-  
980 SFCl Sulfur chloride fluoride sfcl  
981 HCCF Fluoroacetylene hccf  
982 HCCF+ fluoroacetylene cation hccf+  
983 HCCCl Chloroacetylene hcccl  
984 HCCBr bromoacetylene hccbr  
985 HFCO formyl fluoride hfco  
986 HFCO+ formyl fluoride cation hfco+  
987 COHCl Formyl chloride cohcl  
988 COHBr Formyl bromide cohbr  
989 CHCl2 dichloromethyl radical chcl2  
990 CHF2 difluoromethyl radical chf2  
991 CHF2+ difluoromethyl cation chf2+  
992 CHFCl Chlorofluoromethyl radical chfcl  
993 CHFCl+ Chlorofluoromethyl cation chfcl+  
994 CHCl2+ dichloromethyl cation chcl2+  
995 CHBr2 dibromomethyl radical chbr2  
996 HOClO Chlorous acid hoclo  
997 NHF2 difluoramine nhf2  
998 NHCl2 dichloroamine nhcl2  
999 CH2FCl fluorochloromethane ch2fcl  
1000 SiH2F2 difluorosilane sih2f2  
1001 CH2BrF Methane, bromofluoro- ch2fbr  
1002 CH2BrCl Methane, bromochloro- ch2clbr  
1003 CH2FI fluoroiodomethane ch2fi  
1004 CH2Br2 dibromomethane ch2br2  
1005 CH2ClI chloroiodomethane ch2cli  
1006 CH2BrI bromoiodomethane ch2bri  
1007 CH2I2 Diiodomethane ch2i2  
1008 SiH2Cl2 dichlorosilane sih2cl2  
1009 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1010 CH2CHF+ fluoroethene cation ch2chf+  
1011 C2H3Br vinyl bromide c2h3br  
1012 C2H3I Vinyl iodide c2h3i  
1013 CH2FOH fluoromethanol ch2foh  
1014 CH3OCl methyl hypochlorite ch3ocl  
1015 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1016 CHClCH3 1-chloroethyl radical chclch3  
1017 C2H5F fluoroethane c2h5f  
1018 CH3SiFH2 fluoromethylsilane ch3sifh2  
1019 C2H5Br Ethyl bromide etbr  
1020 C2H5I Ethyl iodide c2h5i  
1021 KrF2 Krypton difluoride krf2  
1022 XeF2 Xenon difluoride xef2  
1023 B4H10 Tetraborane(10) b4h10  
1024 C4 Carbon tetramer c4  
1025 C4+ Carbon tetramer cation c4+  
1026 C4H2 Diacetylene c4h2  
1027 C4H2+ diacetlyene cation c4h2+  
1028 C2H3CCH 1-Buten-3-yne c2h3cch  
1029 C4H4 cyclobutadiene cbd  
1030 C4H4 Tetrahedrane c4h4  
1031 H2CCCCH2 Butatriene h2cccch2  
1032 C4H6 1-Methylcyclopropene c3100047  
1033 CHCCH2CH3 1-Butyne c107006  
1034 CH3CHCHCH2 methylallyl radical c4h7  
1035 C4H8 methylcyclopropane mcp  
1036 CH2CHCH2CH3 1-Butene bute1  
1037 B(CH3)3 trimethylborane bme3  
1038 Al(CH3)3 trimethyl aluminum tma  
1039 CH3CHCH2CH3 2-Butyl radical butyl2  
1040 SiH(CH3)3 trimethylsilane trimsi  
1041 Li3N trilithium nitride li3n  
1042 C2N2+ Cyanogen cation c2n2+  
1043 As4 Arsenic tetramer as4  
1044 HCCCN Cyanoacetylene hcccn  
1045 HCCCN+ Cyanoacetylene cation hcccn+  
1046 H2CNCN cyanamide, methylene ch2ncn  
1047 HNCCNH Ethenediimine hnccnh  
1048 C3H3N+ acrylonitrile cation ch2chcn+  
1049 CH3N3 methyl azide ch3n3  
1050 NH2CCNH2 Diaminoacetylene daa  
1051 NH2CH2CN Aminoacetonitrile aan  
1052 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1053 C2H5CN ethyl cyanide c2h5cn  
1054 CH5N3 Guanidine guanidine  
1055 C4H6 Bicyclo[1.1.0]butane c157335  
1056 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1057 H2NCHCHNH2 diaminoethylene dae  
1058 CH6N3+ guanidinium ch6n3+  
1059 CH7N3 triaminomethane tam  
1060 C3H7N Azetidine azet  
1061 C2H8N2 Ethylenediamine ethdiam  
1062 CH3NHNHCH3 dimethyl hydrazine dmh  
1063 NH2CH2CH2CH3 1-Propanamine pram1  
1064 P(CH3)3 trimethylphosphine tmp  
1065 N(SiH3)3 trisilylamine tsa  
1066 As(CH3)3 trimethyl arsine tmas  
1067 (CH3)3NH+ protonated trimethyl amine ptma  
1068 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1069 Li2O2 dilithium dioxide li2o2  
1070 Na2O2 disodium dioxide na2o2  
1071 K2O2 dipotassium dioxide k2o2  
1072 C3O Tricarbon monoxide c3o  
1073 ONNO NO dimer onno  
1074 S2N2 Disulfur dinitride s2n2  
1075 CO3 Carbon trioxide co3  
1076 CO3-- carbonate co3--  
1077 CS3-- Carbonotrithioate cs3--  
1078 NO3 Nitrogen trioxide no3  
1079 NO3- nitrate anion no3-  
1080 NO3+ nitrogen trioxide cation no3+  
1081 SO3- Sulfur trioxide anion so3-  
1082 SO3-- Sulfate dianion so3--  
1083 SO3+ Sulfur trioxide cation so3+  
1084 SeO3 selenium trioxide seo3  
1085 S4 Sulfur tetramer s4  
1086 TeO3 Tellurium trioxide teo3  
1087 HCO3- bicarbonate anion hco3-  
1088 HSO3 Hydroxysulfonyl radical hso3  
1089 NH2NO2 nitramide nh2no2  
1090 C2H2CO cyclopropenone c2h2co  
1091 C3H2O Propadienal c3h2o  
1092 HCCCHO 2-propynal hcccho  
1093 C2H2O2+ Ethanedial cation c2h2o2+  
1094 H2CO3 Carbonic acid h2co3  
1095 H2CS3 thiocarbonic acid h2cs3  
1096 H2NO3+ Nitric Acid, Protonated h2no3+  
1097 H2SO3 Sulfurous acid h2so3  
1098 C2H3NO Nitrosoethylene c2h3no  
1099 CH3NCO methylisocyante ch3nco  
1100 HOCH2CN cyanomethanol hoch2cn  
1101 CH3COO- acetate anion ch3coo-  
1102 NH2COOH Carbamic acid nh2cooh  
1103 H3BO3 Boric acid h3bo3  
1104 H3AlO3 Aluminum hydroxide h3alo3  
1105 H3CO3+ carbonic acid, protonated h3co3+  
1106 C3H4O 2-Propyn-1-ol c107197  
1107 C3H4O allenol c9000071  
1108 C3H4O Methylketene c6004440  
1109 CH2CHCHO Acrolein c3h4o  
1110 NH2CONH2+ Urea cation urea+  
1111 C2H4O2 1,3-dioxetane c2h4o2  
1112 CHOCH2OH hydroxy acetaldehyde haa  
1113 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1114 NH3COOH+ protonated Carbamic acid nh3cooh+  
1115 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1116 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1117 HCOOHH2O Formic acid water dimer hcoohh2o  
1118 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1119 CH3COCH2 Acetonyl radical ch3coch2  
1120 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1121 CH3C(OH)=NH Ethaninidic acid eia  
1122 HCONHCH3 N-methylformamide nmfa  
1123 CH3CSNH2 Ethanethioamide ch3csnh2  
1124 CH5N2O+ urea, N-protonated ch4n2o+  
1125 H2NCOHNH2+ urea, protonated ureah+  
1126 C2H5OO ethylperoxy radical c2h5oo  
1127 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1128 C3H5OH Cyclopropanol cproh  
1129 C3H6O 2-Propen-1-ol c107186  
1130 C3H6O Acetone enol enol  
1131 C3H6O Oxetane oxetane  
1132 CH3COCH3- acetone anion ch3coch3-  
1133 CH3CSCH3 Thioacetone ch3csch3  
1134 CH3OOCH3 dimethylperoxide dmp  
1135 CH3COHCH3+ acetone, protonated acetoneh+  
1136 HOCH2CH2NH2 monoethanolamine mea  
1137 C3H7OH 1-Propanol proh  
1138 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1139 Li2F2 Lithium fluoride dimer li2f2  
1140 Na2F2 Sodium Fluoride Dimer na2f2  
1141 Na2Cl2 Disodium dichloride na2cl2  
1142 C2F2 difluoroacetylene c2f2  
1143 C2Cl2 dichloroacetylene c2cl2  
1144 C2Cl2+ dichloroacetylene cation c2cl2+  
1145 FNO2 Nitryl fluoride fno2  
1146 FONO Nitrosyl hypofluorite fono  
1147 ClONO chlorine nitrite clono  
1148 BrONO Bromine nitrite brono  
1149 CF2O+ Carbonic difluoride cation f2co+  
1150 COFCl Carbonic chloride fluoride cofcl  
1151 Cl2CS Thiophosgene cl2cs  
1152 COBr2 Carbonic dibromide cobr2  
1153 BF3- Borane, trifluoro- anion bf3-  
1154 BF3+ boron trifluoride cation bf3+  
1155 BClF2 Chlorodifluoroborane bclf2  
1156 AlF2Cl Aluminum chloride difluoride alclf2  
1157 ScF3 Scandium trifluoride ScF3  
1158 BCl3+ Boron Trichloride cation bcl3+  
1159 GaF3 Gallium trifluoride gaf3  
1160 GaCl3 Gallium trichloride gacl3  
1161 BBr3 Boron tribromide bbr3  
1162 AlBr3 Aluminum Bromide albr3  
1163 ClO3 Chlorine trioxide clo3  
1164 ClO3- chlorate anion clo3-  
1165 BrO3- Bromate anion bro3-  
1166 CF3- Trifluoromethyl anion cf3-  
1167 CF3+ Trifluoromethyl cation cf3+  
1168 CF2Cl difluorochloromethyl radical cf2cl  
1169 SiF3 Silicon trifluoride radical sif3  
1170 SiF3+ Silicon trifluoride cation sif3+  
1171 CFCl2 dichlorofluoromethyl radical cfcl2  
1172 CCl3 Trichloromethyl radical ccl3  
1173 CCl3- Trichloromethyl anion ccl3-  
1174 CCl3+ Trichloromethyl cation ccl3+  
1175 SiCl3 trichlorosilyl radical sicl3  
1176 SiCl3+ trichlorosilyl cation sicl3+  
1177 CBr3 tribromomethyl radical cbr3  
1178 FOOF Perfluoroperoxide foof  
1179 ClO2F Chloryl fluoride clo2f  
1180 F2SO Thionyl Fluoride f2so  
1181 ClOOCl Dichlorine dioxide cloocl  
1182 FSSF Difluorodisulfane fssf  
1183 S2F2 Thio-thionyl fluoride s2f2  
1184 SOCl2 thionyl chloride socl2  
1185 SSCl2 Thiothionyl chloride sscl2  
1186 SeOCl2 selenium oxychloride seocl2  
1187 NF3- Nitrogen trifluoride anion nf3-  
1188 NF3+ Nitrogen trifluoride cation nf3+  
1189 NCl3 nitrogen trichloride ncl3  
1190 AsF3 Arsenic trifluoride asf3  
1191 SbF3 Antimony Trifluoride sbf3  
1192 AsCl3 Arsenous trichloride ascl3  
1193 SbCl3 Antimony Trichloride sbcl3  
1194 NBr3 Nitrogen Tribromide nbr3  
1195 PBr3 Phosphorus tribromide pbr3  
1196 AsBr3 Arsenic tribromide asbr3  
1197 NI3 Nitrogen triiodide ni3  
1198 PI3 Phosphorus triiodide pi3  
1199 ClSSCl Disulfur dichloride s2cl2  
1200 SF3 Sulfur trifluoride sf3  
1201 ClF3 Chlorine trifluoride clf3  
1202 BrF3 Bromine trifluoride brf3  
1203 IF3 iodone trifluoride if3  
1204 HClO3 Chloric Acid hclo3  
1205 CHF2Cl difluorochloromethane chf2cl  
1206 SiHF3 trifluorosilane sihf3  
1207 CHFCl2 fluorodichloromethane chfcl2  
1208 CDCl3 trichloromethane-d cdcl3  
1209 CHBrF2 Methane, bromodifluoro- chbrf2  
1210 CHFClBr fluorochlorobromomethane chfclbr  
1211 CHBrCl2 Methane, bromodichloro- chbrcl2  
1212 CHF2I difluoroiodomethane chf2i  
1213 CHBr2F dibromofluoromethane chbr2f  
1214 CHFClI fluorochloroiodomethane chfcli  
1215 CHCl2I dichloroiodomethane chcl2i  
1216 CHClBr2 Methane, dibromochloro- chclbr2  
1217 CHBr3 bromoform chbr3  
1218 CHI3 Iodoform chi3  
1219 NF3H+ protonated nitrogen trifluoride nf3h+  
1220 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1221 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1222 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1223 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1224 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1225 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1226 C2H2Br2 1,1-dibromoethene c2h2br2  
1227 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1228 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1229 CH2FCHO Fluoroacetaldehyde ch2fcho  
1230 CH2ClCHO chloroacetaldehyde ch2clcho  
1231 C2H4F2 1,2-difluoroethane c2h4f2  
1232 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1233 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1234 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1235 CH2CFCH3 2-fluoropropene 2fpro  
1236 CH2CHCH2F Allyl Fluoride allylf  
1237 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1238 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1239 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1240 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1241 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1242 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1243 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1244 CH2FCH2CH3 1-Fluoropropane prf1  
1245 CH3CHFCH3 2-Fluoropropane prf2  
1246 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1247 CH3CHClCH3 Propane, 2-chloro- prcl2  
1248 CH3CH2CH2Br n-propyl bromide prbr  
1249 CH3CHBrCH3 i-propyl bromide iprbr  
1250 C3H9O+ trimethyl oxonium cation c3h9o+  
1251 B5H9 pentaborane9 b5h9  
1252 C5H4 pentatetraene ptrene  
1253 C5H5 cyclopentadienyl radical c5h5  
1254 C5H5- cylopentadienyl anion c5h5-  
1255 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1256 C5H6 3-Penten-1-yne, (E)- c2004695  
1257 C5H6 3-Penten-1-yne, (Z)- c1574409  
1258 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1259 C5H6 Cyclopropylacetylene c6746947  
1260 C5H6 Propellane propellane  
1261 C5H7 1,3-pentadienyl radical pdyl  
1262 C5H7 cyclopentenyl radical cpyl  
1263 C5H8 1,2-Butadiene, 3-methyl- c598254  
1264 C5H8 1,2-Pentadiene c591957  
1265 C5H8 1,3-Butadiene, 2-methyl- c78795  
1266 C5H8 1,3-Pentadiene, (E)- c2004708  
1267 C5H8 1,3-Pentadiene, (Z)- c1574410  
1268 C5H8 1,4-Pentadiene c591935  
1269 C5H8 1-pentyne a1pentyne  
1270 C5H8 2,3-Pentadiene c591968  
1271 C5H8 Bicyclo[1.1.1]pentane bcp  
1272 C5H8 Cyclobutane, methylene- c1120565  
1273 C5H8 Cyclopentene c142290  
1274 C5H8 Ethenylcyclopropane c693867  
1275 CH3CCCH2CH3 2-Pentyne 2pentyne  
1276 C5H10 1-Butene, 2-methyl- c563462  
1277 C5H10 2-Butene, 2-methyl- c513359  
1278 C5H10 2-Pentene, (E)- c646048  
1279 C5H10 2-Pentene, (Z)- c627203  
1280 C5H10 Cyclopentane c287923  
1281 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1282 CH2CHCH2CH2CH3 1-pentene pentene  
1283 C5H11 2-Methylbut-2-yl radical c4348350  
1284 C5H12 Butane, 2-methyl- buta2  
1285 Si(CH3)4 tetramethylsilane tms  
1286 N2O3 Dinitrogen trioxide n2o3  
1287 C3H2N2 Malononitrile c3h2n2  
1288 CH2N4 1H-Tetrazole 1htz  
1289 C3H3N2 imidazolyl radical im  
1290 C3H3N2- imidizolyl anion im-  
1291 C2H3N3 1H-1,2,4-Triazole c288880  
1292 C4H4N pyrrolide radical c4h4n  
1293 C4H4N- pyrrolide anion c4h4n-  
1294 C3H4N2 1H-Imidazole 1himidaz  
1295 C3H4N2 1H-Pyrazole 1hpyraz  
1296 C3H4N2 2H-Imidazole imid2h  
1297 C3H4N2 4H-Imidazole imid4h  
1298 C4H5N (E)-2-Butenenitrile c627269  
1299 C4H5N 2H-pyrrole pyrrole2  
1300 C4H5N 3H-pyrrole pyrrole3  
1301 CH2CHCH2CN Allylcyanide ch2chch2cn  
1302 C4H6N+ pyrrole, alpha-protonated appyr  
1303 C4H6N+ pyrrole, beta-protonated bppyr  
1304 C4H6N+ pyrrole, protonated ppyr  
1305 C3H6N2 3-Aminopropionitrile c151188  
1306 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1307 CH3CH2CH2CN Butanenitrile c109740  
1308 C5H8 Bicyclo[2.1.0]pentane c185944  
1309 C4H9N Cyclobutylamine cbam  
1310 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1311 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1312 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1313 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1314 NH(C2H5)2 diethylamine dea  
1315 NC4H12+ tetramethyl ammonium cation nc4h12+  
1316 C3O2+ Carbon suboxide cation c3o2+  
1317 B2O3 diboron trioxide b2o3  
1318 MgCO3 Magnesium Carbonate mgco3  
1319 BeCO3 Beryllium Carbonate beco3  
1320 CaCO3 Calcium Carbonate caco3  
1321 ONONO Nitrosyl nitrite onono  
1322 PO4--- phosphate po4---  
1323 SO4-- sulfate so4--  
1324 HOONO2 peroxy nitric acid hoono2  
1325 HSO4- bisulfate anion hso4-  
1326 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1327 C3H2O2 Propiolic acid c3h2o2  
1328 CHOCOOH oxo acetic acid oaa  
1329 CHOOCHO diformyl ether choocho  
1330 H2SeO4 Selenic acid h2seo4  
1331 C3H3NO Oxazole oxazole  
1332 C3H3NS Thiazole thiazole  
1333 CH3C(O)OO acetyl peroxy radical ch3coo2  
1334 H3PO4 Phosphoric Acid h3po4  
1335 C4H4O+ Furan cation furan+  
1336 CH3COCCH 3-butyn-2-one c1423605  
1337 C4H4Se selenophene c4h4se  
1338 C3H4O2 Methyl glyoxal megly  
1339 C3H4O2 propanedial propanedial  
1340 C3H4O2 propenalol propenalol  
1341 HOCHCCHOH allenediol aldiol  
1342 C2H4O3 1,2,3-trioxolane c2h4o3  
1343 C2H4O3 trioxolane124 triox  
1344 HOCH2COOH Hydroxyacetic acid hac  
1345 CH2CHCONH2 Acrylamide c79061  
1346 CH5N3S Hydrazinecarbothioamide c79196  
1347 H2NCH2COOH Glycine glycine  
1348 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1349 C4H6O cis-2-butenal butenal2c  
1350 C4H6O Cyclobutanone cbutone  
1351 C4H6O Furan, 2,5-dihydro- furan25h  
1352 CHOCHCHCH3 2-Butenal butenal2  
1353 C2H6N2O Urea, methyl- c598505  
1354 CH3CH2COOH Propanoic Acid propanoic  
1355 CH3COOCH3 methyl acetate aame  
1356 HCOOC2H5 Ethyl formate faee  
1357 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1358 C3H7NO dimethylformamide dmf  
1359 C2H3OC2H5 Ethene, ethoxy- c109922  
1360 C4H8O Cyclobutanol c2919235  
1361 C4H8O Furan, tetrahydro- thf  
1362 CH3COCH2CH3 2-Butanone buta2one  
1363 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1364 CHOCH2CH2CH3 Butanal butanal  
1365 C3H8O2 1,3-Propanediol c504632  
1366 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1367 C3H8O2 Methane, dimethoxy- c109875  
1368 C3H8O2 Propylene glycol c57556  
1369 C4H10O 1-Butanol butanol1  
1370 C4H10O 1-Propanol, 2-methyl- c78831  
1371 C4H10O 2-Butanol, (.+/-.)- butanol2  
1372 C4H10O Methyl propyl ether meopr  
1373 C4H10O Propane, 2-methoxy- c598538  
1374 C4H10O+ 1-Butanol cation butanol1+  
1375 C4H9SH 1-Butanethiol bush  
1376 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1377 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1378 ClONO2 Chlorine nitrate clono2  
1379 BrONO2 Bromine nitrate brono2  
1380 TiCl4 Titanium tetrachloride ticl4  
1381 ClO4- perchlorate anion clo4-  
1382 BF4- tetrafluoroboron anion bf4-  
1383 SO2F2 Sulfuryl fluoride so2f2  
1384 TiF4 Titanium tetrafluoride tif4  
1385 CF3Br Bromotrifluoromethane cf3br  
1386 GeF4 Germanium tetrafluoride gef4  
1387 CCl4+ Carbon tetrachloride cation ccl4+  
1388 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1389 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1390 CF3I trifluoroiodomethane cf3i  
1391 CBrCl3 Methane, bromotrichloro- cbrcl3  
1392 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1393 GeCl4 Germanium Tetrachloride gecl4  
1394 CBr2ClF dibromochlorofluoromethane cbr2clf  
1395 CBr2Cl2 dibromodichloromethane cbr2cl2  
1396 CCl3I trichloroiodomethane ccl3i  
1397 CFBr3 fluorotribromomethane cfbr3  
1398 CFClBrI fluorochlorobromoiodomethane cfclbri  
1399 CBr3Cl tribromochloromethane cbr3cl  
1400 CF2I2 difluorodiiodomethane cf2i2  
1401 CBr4 Carbon tetrabromide cbr4  
1402 CCl2I2 dichlorodiiodomethane ccl2i2  
1403 SiBr4 Silicon tetrabromide sibr4  
1404 CBr3I tribromoiododmethane cbr3i  
1405 GeBr4 Germanium tetrabromide gebr4  
1406 CI4 tetraiodomethane ci4  
1407 SiI4 silicon tetraiodide sii4  
1408 ClOF3 Chlorine trifluoride oxide clof3  
1409 SF4 Sulfur tetrafluoride sf4  
1410 SeF4 Selenium tetrafluoride sef4  
1411 SCl4 Sulfur tetrachloride scl4  
1412 C2HF3 Trifluoroethylene c2hf3  
1413 C2HF3+ Trifluoroethylene cation c2hf3+  
1414 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1415 HClO4 perchloric acid hclo4  
1416 CF3OH trifluoromethanol cf3oh  
1417 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1418 CHClCCHCl 1,3-dichloroallene chclcchcl  
1419 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1420 CHCl2CHO dichloroacetaldehyde chcl2cho  
1421 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
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 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1427 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1428 NH3BCl3 Amminetrichloroboron nh3bcl3  
1429 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1430 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1431 C3H5ClO Oxirane, (chloromethyl)- c106898  
1432 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1433 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1434 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1435 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1436 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1437 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1438 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
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 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1449 XeF4 Xenon tetrafluoride xef4  
1450 C2H2N2O Furazan furazan  
1451 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1452 NH3BF3 Amminetrifluoroboron nh3bf3  
1453 C6H2 hexatriyne c6h2  
1454 C6H4 Benzyne benzyne  
1455 C6H5 phenyl phenyl  
1456 C6H5- phenyl anion phenyl-  
1457 C6H6 Prismane prismane  
1458 C6H6 1,2,4,5-Hexatetraene ht1245  
1459 C6H6 2,4-Hexadiyne hexadiyne  
1460 C6H6 3,4-Dimethylenecyclobutene cb34m  
1461 C6H6 Benzvalene bv  
1462 C6H6 Dewar Benzene dewar  
1463 C6H6 Hexa-1,5-diene-3-yne hdy153  
1464 C6H6 Trimethylenecycopropane tmcp  
1465 C6H6+ Benzene cation c6h6+  
1466 C6H7+ benzene, protonated c6h7+  
1467 C6H8 (E)-hexa-1,3,5-triene c821078  
1468 C6H8 (E)-hexa-2,3,4-triene c59660650  
1469 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1470 C6H8 3-Methylenecyclopentene c930267  
1471 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1472 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1473 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1474 C6H10 1,5-Hexadiene c592427  
1475 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1476 C6H10 2-Hexyne c764352  
1477 C6H10 cyclohexene cyclohexene  
1478 C6H10 Cyclopentene, 1-methyl- c693890  
1479 C6H10 Cyclopentene, 3-methyl- c1120623  
1480 C6H10 Cyclopentene, 4-methyl- c1759815  
1481 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1482 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1483 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1484 C6H12 (E)-2-Hexene e2hexene  
1485 C6H12 (E)-3-methylpent-2-ene c616126  
1486 C6H12 (E)-hex-3-ene e3hexene  
1487 C6H12 (Z)-3-methylpent-2-ene c922623  
1488 C6H12 (Z)-hex-2-ene z2hexene  
1489 C6H12 (Z)-hex-3-ene z3hexene  
1490 C6H12 2,3-dimethylbut-1-ene c563780  
1491 C6H12 2,3-dimethyl-but-2-ene tmeet  
1492 C6H12 3-methylenepentane c760214  
1493 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1494 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1495 C6H12 Cyclopentane, methyl- c96377  
1496 C6H12 Ethylcyclobutane c4806615  
1497 C6H14 Butane, 2,2-dimethyl- buta22  
1498 C6H14 Butane, 2,3-dimethyl- buta23  
1499 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1500 C4H2N2 Fumaronitrile c4h2n2  
1501 C2H2N4 sym-tetrazine ttz  
1502 CH3N5 5-Aminotetrazole c4418615  
1503 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1504 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1505 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1506 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1507 C5H5N E-2,4-pentadienenitrile bdcn  
1508 B3N3H6 borazine borazine  
1509 C5H6N+ Pyridinium c5h6n  
1510 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1511 C5H7N (E)-2-Pentenenitrile c26294984  
1512 C5H7N (E)-3-Pentenenitrile c16529661  
1513 C5H7N (Z)-2-Pentenenitrile c25899507  
1514 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1515 C5H7N Cyclobutanecarbonitrile c4426113  
1516 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1517 C5H9N Butanenitrile, 2-methyl- c18936179  
1518 C5H9N Pentanenitrile c110598  
1519 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1520 C6H10 Bicyclo[3.1.0]hexane c285585  
1521 C5H11N Piperidine piper  
1522 C4H12N2 1,2-Butanediamine c4426486  
1523 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1524 Li2CO3 Lithium Carbonate li2co3  
1525 Na2CO3 Sodium Carbonate na2co3  
1526 C2O4-- oxalate anion c2o4  
1527 MgSO4 Magnesium Sulfate mgso4  
1528 C3H2O3 vinylene carbonate vica  
1529 C2H2O4 Oxalic Acid oxalic  
1530 C4H4O2 2(5H)-Furanone furanone  
1531 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1532 C2H4N2S2 Ethanedithioamide c79403  
1533 C2H4CO3 Ethylene carbonate etco3  
1534 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1535 C3H4S3 1,3-Dithiolane-2-thione c822388  
1536 C2H4O4 Formic acid dimer fadimer  
1537 C4H5NO Isoxazole, 5-methyl- c5765446  
1538 C4H5NS 4-Methylthiazole c693958  
1539 C2H5NO3 Nitric acid, ethyl ester c625581  
1540 C5H6O 2H-Pyran pyran2  
1541 C5H6O 2-methylfuran furan2m  
1542 C5H6O 3-Methylfuran furan3m  
1543 C5H6O Pentadienal pdal  
1544 C5H6S Thiophene, 2-methyl- c554143  
1545 C5H6S Thiophene, 3-methyl- c616444  
1546 C4H6O2 γ–Butyrolactone c96480  
1547 C4H6O2 2,3-Butanedione c431038  
1548 C4H6O2 2-Propenoic acid, methyl ester c96333  
1549 C4H6O2 Crotonic Acid crot  
1550 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1551 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1552 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1553 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1554 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1555 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1556 C4H6OS Vinyl sulfoxide c1115157  
1557 C2H6N2O2 (E)-Azodioxymethane c37765154  
1558 C2H6N2O2 Dimethylnitroamine c4164287  
1559 C3H6S3 1,3,5-Trithiane c3h6s3  
1560 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1561 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1562 C4H7NO 2-Pyrrolidinone c616455  
1563 C4H7NO Ethoxyacetonitrile etoaccn  
1564 C4H7NO Methacrylamide c79390  
1565 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1566 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1567 C3H7ONO Propyl nitrite prono  
1568 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1569 CH3CH(NH2)COOH Alanine alanine  
1570 CH3NHCH2COOH Sarcosine sarcosine  
1571 NH2CH2CH2COOH β–alanine betaalanine  
1572 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1573 C5H8O Cyclopentanone c120923  
1574 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1575 C5H8O Methyl cyclopropyl ketone c765435  
1576 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1577 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1578 NH2CONHC2H5 Urea, ethyl- c625525  
1579 C4H8O2 1,3-Dioxane dioxan13  
1580 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1581 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1582 C4H8O2 Ethyl acetate c141786  
1583 C4H8OS s-Ethyl thioacetate c625605  
1584 C3H8O2S (Methylsulfonyl)ethane c594434  
1585 C4H9NO Butanamide c541355  
1586 C4H9NO Propanamide, 2-methyl- c563837  
1587 C5H10O 2-Butanone, 3-methyl- c563804  
1588 C5H10O 2H-Pyran, tetrahydro- c142687  
1589 C5H10O 2-methylbutyraldehyde 2meba  
1590 C5H10O Cyclopentanol c96413  
1591 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1592 C5H10O Pentanal pal  
1593 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1594 C5H10S 3-Ethylthio-1-propene c5296628  
1595 C5H10S Cyclopentanethiol c1679078  
1596 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1597 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1598 C4H10O2 1,1-Dimethoxyethane c534156  
1599 C4H10O2 1,3-Butanediol budiol13  
1600 C4H10O2 1,4-Butanediol budiol14  
1601 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1602 C4H10OS Diethyl sulfoxide c70291  
1603 C4H10S2 1,4-Butanedithiol budisl14  
1604 C4H11NO Diethylhydroxylamine c3710847  
1605 C5H12O 1-Butanol, 2-methyl- c137326  
1606 C5H12O 1-Butanol, 3-methyl- c123513  
1607 C5H12O 2-Butanol, 3-methyl- c598754  
1608 C5H12O 3-Pentanol pentan3ol  
1609 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1610 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1611 C5H12S 1-Butanethiol, 3-methyl- c541311  
1612 C5H12S 1-Pentanethiol c110667  
1613 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1614 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1615 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1616 C5H12S Butane, 1-(methylthio)- c628295  
1617 C5H12S Ethyl propyl sulfide c4110503  
1618 C5H12S Propane, 2-(ethylthio)- c5145993  
1619 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1620 C4F2 difluorobutadiyne c4f2  
1621 ClCOClCO Oxalyl chloride oxcl  
1622 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1623 C2F4+ Tetrafluoroethylene cation c2f4+  
1624 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1625 CF2CCl2 difluorodichloroethylene cf2ccl2  
1626 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1627 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1628 C2FCl3 fluorotrichloroethene c2fcl3  
1629 C2Br4 tetrabromoethene c2br4  
1630 CF3OF Trifluoromethylhypofluorite cf3of  
1631 SiF5- silicon pentafluoride anion sif5-  
1632 SOF4 Sulfur tetrafluoride oxide sof4  
1633 AsF5 Arsenic pentafluoride asf5  
1634 SF5 Sulfur pentafluoride sf5  
1635 SF5+ pentafluoro sulfur cation sf5+  
1636 SbCl5 Antimony pentachloride sbcl5  
1637 BrF5 bromine pentafluoride brf5  
1638 ClF5 chlorinepentafluoride clf5  
1639 IF5 pentafluoroiodine if5  
1640 CF3CHO trifluoroacetaldehyde cf3cho  
1641 CCl3CHO trichloroacetaldehyde ccl3cho  
1642 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1643 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1644 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1645 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1646 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1647 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1648 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1649 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1650 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1651 CF3COOH trifluoroacetic acid cf3cooh  
1652 C4H3ClO Furan, 2-chloro fur2cl  
1653 C4H3ClO Furan,3-chloro fur3cl  
1654 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1655 C4H8Cl2 1,4-Dichlorobutane c110565  
1656 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1657 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1658 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1659 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1660 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1661 C4H8O2 Butanoic acid bua  
1662 C6H5CH2 benzyl radical benzyl  
1663 C7H7 cycloheptatrienyl radical c7h7  
1664 C7H7+ cycloheptatrienyl cation c7h7+  
1665 C6H5CH3 toluene toluene  
1666 C7H8 cycloheptatriene cht  
1667 C7H8 Norbornadiene norbor  
1668 C7H8 Quadricyclane qucy  
1669 C7H12 Norbornane nor  
1670 C7H14 cycloheptane c7h14  
1671 C7H16 2-methylhexane 2mhex  
1672 C7H16 3-methylhexane hex3m  
1673 C7H16 heptane heptane  
1674 CH(CN)3 tricyanomethane mecn3  
1675 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1676 C6H7N 2-Methylpyridine mp  
1677 C6H5NH2 aniline aniline  
1678 C6H13N 2-Methylpiperidine pip2m  
1679 C6H13N cyclohexanamine cham  
1680 C6H15N triethylamine tea  
1681 N2O5 Dinitrogen pentoxide n2o5  
1682 C4H2O3 Maleic Anhydride malan  
1683 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1684 C5H4O2 furfural furfural  
1685 C6H5O phenoxy radical phenoxy  
1686 C5H5NO 2(1H)-Pyridinone c72762006  
1687 C5H5NO 2(3H)-Pyridinone c9000048  
1688 C5H5NO 2(5H)-Pyridinone c9000037  
1689 C5H5NO 2-Pyridinol c109104  
1690 C5H5NO 3(2H)-Pyridinone c9000004  
1691 C5H5NO 3(4H)-Pyridinone c9000026  
1692 C5H5NO 3(6H)-Pyridinone c9000015  
1693 C5H5NO 3-Pyridinol c109002  
1694 C5H5NO 4(1H)-Pryidinone c9000060  
1695 C5H5NO 4(3H)-Pryidinone c9000059  
1696 C5H5NO 4-Pyridinol c626642  
1697 C6H5OH phenol phenol  
1698 C6H6O 2,4-Cyclohexadienone c24599573  
1699 C6H6O 2,5-Cyclohexadienone c5664335  
1700 C6H5SH Benzenethiol phsh  
1701 HO2CCHNH2CH2OH Serine serine  
1702 C5H8O2 Acetylacetone acac  
1703 C4H8O2S Sulfolane sulfolane  
1704 C7H10 Norbornene norbornene  
1705 CH(C2H3)3 trivinyl methane tvm  
1706 C6H10O cyclohexanone chexo  
1707 C6H12O hexanal c6h12o  
1708 C6H12O Oxepane oxepane  
1709 C3H7OC3H7 di-n-propyl ether propr  
1710 F2CCCF2 tetrafluoroallene pfa  
1711 CF3COO- trifluoro acetate anion cf3coo-  
1712 CF3COF trifluoroacetyl fluoride cf3cof  
1713 CF3COCl trifluoroacetyl chloride cf3cocl  
1714 PF6 Hexafluorophosphate neutral pf6  
1715 PF6- Hexafluorophosphate ion pf6-  
1716 SF6 Sulfur Hexafluoride sf6  
1717 SeF6 Selenium hexafluoride sef6  
1718 SF5Cl sulfur chloropentafluoride sf5cl  
1719 CF3CHF2 pentafluoroethane cf3chf2  
1720 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1721 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1722 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1723 CCl3CHCl2 pentachloroethane ccl3chcl2  
1724 C6H5F Fluorobenzene bzf  
1725 C6H5Cl chlorobenzene bzcl  
1726 C6H5Br bromobenzene bzbr  
1727 C8H6 Calicene calicene  
1728 C6H5CCH phenylacetylene phac  
1729 C8H6 benzocyclobutadiene bcbd  
1730 C8H6 Pentalene pentalene  
1731 C6H5CHCH2 Styrene styrene  
1732 C8H8 cubane cubane  
1733 C8H8 cyclooctatetraene cot  
1734 C6H5CH2CH3 Ethylbenzene etbz  
1735 CH3C6H4CH3 meta-xylene mxylene  
1736 CH3C6H4CH3 paraxylene pxylene  
1737 C8H14 Bicyclo[2.2.2]octane bico222  
1738 C8H16 cyclooctane cyclooct  
1739 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1740 C8H18 Octane c8h18  
1741 C6H5CN phenyl cyanide phcn  
1742 C6H12N2 Triethylenediamine ted  
1743 C4O4-- squarate dianion c4o4--  
1744 S4N4 Tetrasulfur tetranitride s4n4  
1745 S8 Octasulfur s8  
1746 C6H4O2 parabenzoquinone pbq  
1747 C4H4N2O2 Uracil uracil  
1748 C6H5CHO benzaldehyde benzal  
1749 C6H5OCH3 Anisole anisole  
1750 C5H9NO2 Proline proline  
1751 C6H12O2 Methyl pivalate c598981  
1752 C6H12O2 Hexanoic acid hexa  
1753 C4F4 tetrafluorcyclobutadiene c4f4  
1754 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1755 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1756 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1757 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1758 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1759 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1760 C2F6 hexafluoroethane c2f6  
1761 C2Cl6 hexachloroethane c2cl6  
1762 IF7 Iodine heptafluoride if7  
1763 C6H4F2 metadifluorobenzene mdfb  
1764 C6H4F2 orthodifluorobenzene odfb  
1765 C6H4F2 1,4-difluorobenzene pdfb  
1766 C6H4Cl2 1,2-dichlorobenzene dcb12  
1767 C6H4Cl2 1,3-dichlorobenzene dcb13  
1768 C6H4Cl2 1,4-dichlorobenzene dcb14  
1769 C6H5NO nitrosobenzene bzno  
1770 C9H8 Indene indene  
1771 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1772 C9H12 n-propyl benzene prbz  
1773 C9H20 Nonane nonane  
1774 C(CN)4 tetracyanomethane c5n4  
1775 C5H4N4 purine purine  
1776 C8H7N Indole indole  
1777 C3H3N3O3 cyanuric acid cyanuric  
1778 C6H5NO2 Nitrobenzene c6h5no2  
1779 C6H5COOH benzoic acid benzo  
1780 CH3COC6H5 acetophenone acph  
1781 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1782 C3F6 hexafluoropropene c3f6  
1783 C6H3F3 Benzene trifluoride 123 bzf3a  
1784 C8H18O 1-Octanol octanol  
1785 C10H8 Azulene azu  
1786 C10H8 naphthalene naph  
1787 C10H10 bullvalene bullv  
1788 C10H16 adamantane adamantane  
1789 C6N4 Tetracyanoethylene tcne  
1790 C6N4- tetracyanoethylene anion tcne-  
1791 C10H22 Decane decane  
1792 C4F6 perfluorobutadiene c4f6  
1793 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1794 C3F8 perfluoropropane c3f8  
1795 Fe(CO)5 Iron pentacarbonyl ipc  
1796 Fe(C5H5)2 ferrocene fecp2  
1797 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1798 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1799 C12H8 Acenaphthylene acenaph  
1800 C12H8 biphenylene biph  
1801 C12H10 biphenyl biphenyl  
1802 C12H10 Heptalene heptalene  
1803 C6H12O6 Inositol inositol  
1804 C6F6 hexafluorobenzene c6f6  
1805 S2F10 disulphur decafluoride s2f10  
1806 C13H10 Fluorene fluorene  
1807 C14H10 Anthracene anth  
1808 C14H10 Phenanthrene phenanthrene  
1809 C14H14 Bibenzyl bibenzyl  
1810 C12H10N2 azobenzene azobenzene  
1811 C6H5COC6H5 benzophenone benzophenone  
1812 C16H10 Pyrene pyrene  
1813 C18H12 Tetracene tetracene  
1814 C19H16 Triphenylmethane tpm  
1815 C24H12 Coronene coronene  
1816 C60 Buckminsterfullerene c60