National Institute of Standards and Technology
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 /cc-pCVTZ

Jump to calculations not yet done
count Species Name State Conformation
1 LiH Lithium Hydride 1ΣC∞v
2 NaH sodium hydride 1ΣC∞v
3 NaH+ sodium hydride cation 2ΣC∞v
4 BeH beryllium monohydride 2ΣC∞v
5 B Boron atom 2PKh
6 Al Aluminum atom 2PKh
7 AlH3 aluminum trihydride 1A1'D3h
8 C Carbon atom 3P0Kh
9 Si Silicon atom 3PKh
10 SiH Silylidyne 2ΠC∞v
11 CH3 Methyl radical 2A1D3h
12 CH3- methyl anion 1A1C3v
13 CH3+ methyl cation 1A1'D3h
14 SiH3 Silyl radical 2A1C3v
15 SiH4 Silane 1A1Td
16 P Phosphorus atom 4SKh
17 O Oxygen atom 3SKh
18 S Sulfur atom 3PKh
19 HS Mercapto radical 2ΠC∞v
20 H2O Water 1A1C2v
21 H2S Hydrogen sulfide 1A1C2v
22 H2S+ Hydrogen sulfide cation 2B1C2v
23 H3S+ Sulfonium cation 1A1C3v
24 F Fluorine atom 2PKh
25 Cl Chlorine atom 2PKh
26 HCl Hydrogen chloride 1ΣC∞v
27 HCl+ hydrogen chloride cation 2ΠC∞v
28 H2Cl+ dihydrogen monochloride cation 1A1C2v
29 Li2 Lithium diatomic 1ΣgD∞v
30 Na2 Sodium diatomic 1ΣgD∞h
31 LiB Lithium boride 3ΠC∞v
32 NaAl Sodium aluminum 1ΣC∞v
33 Al2H6 dialane 1AGD2h
34 SiC silicon monocarbide 3ΣC∞v
35 C2H4 Ethylene 1AgD2h
36 Si2H6 disilane 1EuD3d
37 AlN Aluminum nitride 3ΠiC∞v
38 CN Cyano radical 2ΣC∞v
39 CN- cyanide anion 1ΣC∞v
40 SiP Silicon monophosphide 2ΠC∞v
41 N2 Nitrogen diatomic 1ΣgD∞h
42 PN Phosphorus mononitride 1ΣC∞v
43 HCN Hydrogen cyanide 1ΣC∞v
44 NNH+ Dinitrogen monohydride cation 1ΣC∞v
45 LiO lithium oxide 2ΣC∞v
46 LiS Lithium monosulfide 2ΠC∞v
47 LiS+ Lithium sulfide cation 3ΣC∞v
48 NaO sodium monoxide 2ΣC∞v
49 CaO Calcium monoxide 1ΣC∞v
50 CaS Calcium sulfide 1ΣC∞v
51 BO boron monoxide 2ΣC∞v
52 CO Carbon monoxide 1ΣC∞v
53 CO- carbon monoxide anion 2ΠC∞v
54 CO+ carbon monoxide cation 2ΣC∞v
55 NO Nitric oxide 2ΠC∞v
56 NS Mononitrogen monosulfide 2ΠC∞v
57 PO Phosphorus monoxide 2ΠC∞v
58 PS phosphorus sulfide 2ΣC∞v
59 O2 Oxygen diatomic 3ΣgD∞h
60 SO Sulfur monoxide 3ΣC∞v
61 HO2 Hydroperoxy radical 2A"Cs
62 SOH Sulfur Hydroxide   
63 HS2 Thiosulfeno radical 2A"Cs
64 H2CO Formaldehyde 1A1C2v
65 H2CS Thioformaldehyde 1A1C2v
66 H2S2 Disulfane 1AC2
67 H2S2+ hydrogen disulfide cation 2BgC2h
68 H2CSH+ Thioformaldehyde, protonated 1A'Cs
69 CH3SH Methanethiol 1A'Cs
70 CH3SH+ Methanethiol cation 2A"Cs
71 CH3SH2+ protonated methylsulfide 1A'Cs
72 LiF lithium fluoride 1ΣC∞v
73 LiCl lithium chloride 1ΣC∞v
74 NaF sodium fluoride 1ΣC∞v
75 NaCl Sodium Chloride 1ΣC∞v
76 BF Boron monofluoride 1ΣC∞v
77 CF Fluoromethylidyne 2ΠC∞v
78 SiF silicon monofluoride 2ΠC∞v
79 SiF+ silicon monofluoride cation 1ΣC∞v
80 NCl nitrogen monochloride 3ΣC∞v
81 ClO Monochlorine monoxide 2ΠC∞v
82 SF Monosulfur monofluoride 2ΠC∞v
83 SF+ sulfur monofluoride cation 3ΣC∞v
84 SCl sulfur monochloride 2ΠC∞v
85 SCl+ sulfur monochloride cation 3ΣgC∞v
86 F2 Fluorine diatomic 1ΣgD∞h
87 ClF Chlorine monofluoride 1Σ+C∞v
88 Cl2 Chlorine diatomic 1ΣgD∞h
89 Cl2+ chlorine diatomic cation 2ΠgD∞h
90 CH2Cl chloromethyl radical 2B1C2v
91 CH3F Methyl fluoride 1A1C3v
92 CH3Cl Methyl chloride 1A1C3v
93 SiH3Cl chlorosilane 1A1C1
94 Si3H8 trisilane   
95 LiCN lithium cyanide 1ΣC*V LiCN
96 LiCN lithium cyanide 1A'Cs
97 LiCN lithium cyanide 1ΣC*V LiNC
98 NaCN Sodium Cyanide 1ΣC∞v
99 NaCN Sodium Cyanide 1ACs
100 NaCN Sodium Cyanide 1ΣC∞v
101 AlNC Aluminum isocyanide   
102 Li2S dilithium sulfide 1ΣGD∞h
103 Li2S dilithium sulfide 1A1C2v
104 Na2O disodium monoxide 1ΣgLinear
105 Na2O disodium monoxide 1A1C2v
106 CCO Dicarbon monoxide 3ΣC∞v
107 CO2 Carbon dioxide 1ΣgD∞h
108 SiS2 Silicon disulfide 1ΣGD∞h
109 NSO sulfinyl amidogen   
110 SNO Nitrogen oxide sulfide   
111 SO2 Sulfur dioxide 1A1C2v
112 S3+ Sulfur trimer cation 2B2C2v
113 BH3CO Borane carbonyl 1A1C3v
114 CH3SSH Hydrogen methyl disulfide   
115 CH3CH2SH ethanethiol 1A'Cs
116 CH3CH2SH ethanethiol 1AC1
117 FNS Thionitrosyl fluoride 1A'Cs
118 FSN Thiazyl fluoride 1A'Cs
119 OPCl Phosphorus oxychloride   
120 CF2 Difluoromethylene 1A1D∞h
121 OClO Chlorine dioxide 2B1D∞h
122 ClSO Sulfur chloride oxide 2A"Cs
123 FClO chlorosyl fluoride 1A'Cs
124 ClOF Chlorine hypofluorite 1A'Cs
125 SF2 sulfur difluoride 1A1C2v
126 HCCF Fluoroacetylene 1ΣC∞v
127 CH2F2 Methane, difluoro- 1A1C2v
128 SiH2Cl2 dichlorosilane 1A1C2v
129 S2N2 Disulfur dinitride 1AGD2h
130 CS3-- Carbonotrithioate   
131 SO3 Sulfur trioxide 1A1'D3h
132 S4 Sulfur tetramer   
133 S4 Sulfur tetramer   
134 S4 Sulfur tetramer   
135 H3AlO3 Aluminum hydroxide   
136 CF2O Carbonic difluoride 1A1C2v
137 BF3 Borane, trifluoro- 1A'D3h
138 AlF3 Aluminum trifluoride 1A1'D3h
139 SiF3 Silicon trifluoride radical 2A1C3v
140 ClO2F Chloryl fluoride 1A'Cs
141 SF3 Sulfur trifluoride 2A'Cs
142 ClF3 Chlorine trifluoride 1A1'D3h
143 ClF3 Chlorine trifluoride 1A1C2v
144 HClO3 Chloric Acid 1AC1
145 CHF3 Methane, trifluoro- 1A1C3v
146 CF3Cl Methane, chlorotrifluoro- 1A1C3v
147 CF2Cl2 difluorodichloromethane 1A1C2v
148 SF4 Sulfur tetrafluoride 1A1C2v
149 HClO4 perchloric acid 1ACs
150 SiF5- silicon pentafluoride anion   
151 PF5 Phosphorus pentafluoride 1A1'D3h

Species NOT done yet
count Species Name file name problem
1 D Deuterium atom d  
2 D- Deuterium atom anion d-  
3 D+ Deuterium atom cation d+  
4 H Hydrogen atom h  
5 H- Hydrogen atom anion h-  
6 H+ Hydrogen atom cation h+  
7 D2 Deuterium diatomic d2  
8 H2 Hydrogen diatomic h2  
9 H2- hydrogen diatomic anion h2-  
10 H2+ Hydrogen cation h2+  
11 HD Deuterium hydride hd  
12 H3+ hydrogen trimer cation h3+  
13 He Helium atom he  
14 He- Helium atom anion he-  
15 He+ Helium atom cation he+  
16 HeH Helium hydride heh  
17 HeH+ Helium hydride cation heh+  
18 He2+ helium diatomic cation he2+  
19 Li Lithium atom li  
20 Li- Lithium atom anion li-  
21 Li+ Lithium atom cation li+  
22 Na Sodium atom na  
23 Na- Sodium atom anion na-  
24 Na+ Sodium atom cation na+  
25 K Potassium atom k  
26 K- Potassium atom anion k-  
27 K+ Potassium atom cation k+  
28 Cu Copper atom cu  
29 Cu- Copper atom anion cu-  
30 Cu+ Copper atom cation cu+  
31 LiH- lithium hydride anion lih-  
32 LiH+ lithium hydride cation lih+  
33 NaH- sodium hydride anion nah-  
34 KH Potassium hydride kh  
35 KH+ Potassium hydrogen cation kh+  
36 CuH Copper monohydride cuh  
37 Be Beryllium atom be  
38 Be- Beryllium atom anion be-  
39 Be+ Beryllium atom cation be+  
40 Mg Magnesium atom mg  
41 Mg- Magnesium atom anion mg-  
42 Mg+ Magnesium atom cation mg+  
43 Ca Calcium atom ca  
44 Ca- Calcium atom anion ca-  
45 Ca+ Calcium atom cation ca+  
46 Zn Zinc atom zn  
47 Zn- Zinc atom anion zn-  
48 Zn+ Zinc atom cation zn+  
49 BeH- berylium monohydride anion beh-  
50 BeH+ beryllium monohydride cation beh+  
51 MgH magnesium monohydride mgh  
52 MgH- magnesium monohydride anion mgh-  
53 MgH+ magnesium monohydride cation mgh+  
54 CaH Calcium monohydride cah  
55 CaH+ Calcium monohydride cation cah+  
56 TiH Titanium monohydride tih  
57 ZnH Zinc monohydride znh  
58 ZnH+ Zinc, protonated znh+  
59 BeH2 beryllium dihydride beh2  
60 BeH2+ Beryllium dihydride cation beh2+  
61 MgH2 magnesium dihydride mgh2  
62 CaH2 Calcium Hydride cah2  
63 ZnH2 Zinc hydride znh2  
64 B- Boron atom anion b-  
65 B+ Boron atom cation b+  
66 Al- Aluminum atom anion al-  
67 Al+ Aluminum atom cation al+  
68 Sc Scandium atom sc  
69 Sc+ Scandium cation sc+  
70 Ga Gallium atom ga  
71 Ga- Gallium atom anion ga-  
72 Ga+ Gallium atom cation ga+  
73 BH Boron monohydride bh  
74 BH- boron monohydride anion bh-  
75 BH+ boron monohydride cation bh+  
76 AlH aluminum monohydride alh  
77 AlH- aluminum monohydride anion alh-  
78 AlH+ aluminum monohydride cation alh+  
79 ScH Scandium monohydride sch  
80 ScH+ Scandium monohydride cation sch+  
81 GaH Gallium monohydride gah  
82 GaH+ Gallium monohydride cation gah+  
83 BH2 boron dihydride bh2  
84 BH2- boron dihydride anion bh2-  
85 BH2+ Boron dihydride cation bh2+  
86 AlH2 aluminum dihydride alh2  
87 AlH2- aluminum dihydride anion alh2-  
88 AlH2+ aluminum dihydride cation alh2+  
89 BH3 boron trihydride bh3  
90 BH3- boron trihydride anion bh3-  
91 BH3+ boron trihydride cation bh3+  
92 AlH3- aluminum trihydride anion alh3-  
93 AlH3+ aluminum trihydride cation alh3+  
94 ScH3 Scandium trihydride sch3  
95 GaH3 Gallium trihydride gah3  
96 BH4 borohydride bh4  
97 BH4- borohydride anion bh4-  
98 AlH4- Aluminum tetrahydride anion alh4-  
99 C- Carbon atom anion c-  
100 C+ Carbon atom cation c+  
101 Si- Silicon atom anion si-  
102 Si+ Silicon atom cation si+  
103 Ti Titanium atom ti  
104 Ti- Titanium atom anion ti-  
105 Ti+ Titanium atom cation ti+  
106 Ge Germanium atom ge  
107 Ge- Germanium anion ge-  
108 Ge+ Germanium cation ge+  
109 Sn Tin atom sn  
110 Sn+ Tin cation sn+  
111 CH Methylidyne ch  
112 CH- methylidyne anion ch-  
113 CH+ Methylidyne cation ch+  
114 SiH- silicon monohydride anion sih-  
115 SiH+ silicon monohydride cation sih+  
116 GeH germylidene geh  
117 GeH+ Germaniun monohyrdide cation geh+  
118 CH2 Methylene ch2  
119 CH2- methylene anion ch2-  
120 CH2+ methylene cation ch2+  
121 SiH2 silicon dihydride sih2  
122 SiH2- silicon dihydride anion sih2-  
123 SiH2+ silicon dihydride cation sih2+  
124 GeH2 germylene geh2  
125 GeH2- germylene anion geh2-  
126 SiH3- Silyl anion sih3-  
127 SiH3+ Silyl cation sih3+  
128 GeH3 Germyl radical geh3  
129 GeH3+ germyl cation geh3+  
130 CD4 methane-d4 cd4  
131 CH2D2 methane-d2 ch2d2  
132 CH3D methane-d ch3d  
133 CH4 Methane ch4  
134 CH4- Methane anion ch4-  
135 CH4+ Methane cation ch4+  
136 CHD3 methane-d3 chd3  
137 SiH2D2 silane-d2 sih2d2  
138 SiH4+ Silane cation sih4+  
139 GeH4 Germane geh4  
140 SnH4 Stannane snh4  
141 SiH5+ Silane, protonated sih5+  
142 N Nitrogen atom n  
143 N- Nitrogen atom anion n-  
144 N+ Nitrogen atom cation n+  
145 P- Phosphorus atom anion p-  
146 P+ Phosphorus atom cation p+  
147 V Vanadium atom v  
148 V+ Vanadium atom cation v+  
149 As Arsenic atomic as  
150 As- Arsenic anion as-  
151 As+ Arsenic cation as+  
152 Sb Antimony atom sb  
153 NH Imidogen nh  
154 NH- Imidogen anion nh-  
155 NH+ imidogen cation nh+  
156 PH phosphorus monohydride ph  
157 PH- phosphorus monohydride anion ph-  
158 PH+ phosphorus monohydride cation ph+  
159 AsH Arsenic monohydride ash  
160 AsH+ Arsenic monohydride cation ash+  
161 SbH Antimony monohydride sbh  
162 ND2 Amidogen-d2 nd2  
163 NH2 Amino radical nh2  
164 NH2- amino anion nh2-  
165 NH2+ Amino cation nh2+  
166 PH2 Phosphino radical ph2  
167 PH2- Phosphino anion ph2-  
168 PH2+ Phosphino cation ph2+  
169 AsH2 Arsenic dihydride ash2  
170 AsH2+ Arsenic dihydride cation ash2+  
171 ND3 Ammonia-d3 nd3  
172 NH3 Ammonia nh3  
173 NH3- Ammonia anion nh3-  
174 NH3+ ammonia cation nh3+  
175 PH3 Phosphine ph3  
176 PH3+ Phosphine cation ph3+  
177 AsH3 Arsine ash3  
178 AsH3+ Arsine cation ash3+  
179 SbH3 Stibine sbh3  
180 AsH4+ Arsonium ash4+  
181 NH4 Ammonium radical nh4  
182 NH4+ ammonium cation nh4+  
183 PH4 Phosphoranyl radical ph4  
184 PH4+ phosphonium cation ph4+  
185 O- Oxygen atom anion o-  
186 O+ Oxygen atom cation o+  
187 S- Sulfur atom anion s-  
188 S+ Sulfur atom cation s+  
189 Cr Chromium atom cr  
190 Se Selenium atom se  
191 Se- Selenium atom anion se-  
192 Se+ Selenium atom cation se+  
193 Te Tellurium atom te  
194 Te+ Tellurium atom cation te+  
195 DO Hydroxyl-d od  
196 OH Hydroxyl radical oh  
197 OH- hydroxide anion oh-  
198 OH+ hydoxyl cation oh+  
199 DS Mercapto-d ds  
200 HS- mercapto anion sh-  
201 HS+ sulfur monohydride cation sh+  
202 CrH Chromium hydride crh  
203 CrH+ Chromium hydride cation crh+  
204 HSe Selenium monohydride hse  
205 HSe- selenium monohydride anion hse-  
206 HSe+ selenium monohydride cation hse+  
207 TeH Telluryl radical teh  
208 D2O Deuterium oxide d2o  
209 H2O- water anion h2o-  
210 H2O+ water cation h2o+  
211 HDO Water-d1 hdo  
212 D2S Hydrogen sulfide-d2 d2s  
213 H2S- Hydrogen sulfide anion h2s-  
214 H2Se Hydrogen selenide h2se  
215 H2Se+ Hydrogen selenide cation h2se+  
216 H2Te Hydrogen Telluride h2te  
217 H3O+ hydronium cation h3o+  
218 H3Se+ Hydrogen Selenide, protonated h3se+  
219 F- Fluorine atom anion f-  
220 F+ Fluorine atom cation f+  
221 Cl- Chlorine atom anion cl-  
222 Cl+ Chlorine atom cation cl+  
223 Mn Manganese atom mn  
224 Br Bromine atom br  
225 Br- Bromine atom anion br-  
226 Br+ Bromine atom cation br+  
227 I Iodine atom iodine  
228 I- Iodine atom anion iodine-  
229 I+ Iodine atom cation iodine+  
230 DF Hydrofluoric acid-d df  
231 HF Hydrogen fluoride hf  
232 HF- hydrogen fluoride anion hf-  
233 HF+ hydrogen fluoride cation hf+  
234 DCl Hydrochloric acid-d dcl  
235 HCl- hydrogen chloride anion hcl-  
236 HBr hydrogen bromide hbr  
237 HBr- hydrogen bromide anion hbr-  
238 HBr+ hydrogen bromide cation hbr+  
239 HI Hydrogen iodide hi  
240 HI+ Hydrogen iodide cation hi+  
241 H2F+ dihydrogen fluoride cation h2f+  
242 H2Br+ protonated hydrogen bromide h2br+  
243 H2I+ Iodonium h2i+  
244 Ne Neon atom ne  
245 Ne- Neon atom anion ne-  
246 Ne+ Neon atom cation ne+  
247 Ar Argon atom ar  
248 Ar- Argon atom anion ar-  
249 Ar+ Argon atom cation ar+  
250 Fe Iron atom fe  
251 Kr Krypton atom kr  
252 Kr+ Krypton cation kr+  
253 Xe Xenon atom xe  
254 HeLi+ Helium Lithium cation heli+  
255 NeH neon hydrogen neh  
256 NeH+ neon hydrogen cation neh+  
257 ArH+ Argon hydride cation arh+  
258 KrH+ Protonated Krypton krh+  
259 XeH+ Xenon, protonated xeh+  
260 H2Ar H2 Ar dimer h2ar  
261 Co Cobalt atom cobalt  
262 Ni Nickel atom ni  
263 Li2- lithium diatomic anion li2-  
264 Li2+ lithium diatomic cation li2+  
265 NaLi lithium sodium lina  
266 NaLi- lithium sodium anion lina-  
267 NaLi+ lithium sodium cation lina+  
268 LiK Lithium Potassium lik  
269 Na2- sodium diatomic anion na2-  
270 Na2+ sodium diatomic cation na2+  
271 NaK Sodium Potassium nak  
272 NaK+ Sodium Potassium diatomic cation nak+  
273 K2 Potassium diatomic k2  
274 Cu2 Copper diatomic cu2  
275 LiBe Lithium Beryllium libe  
276 LiMg Lithium magnesium limg  
277 NaBe Sodium Beryllium nabe  
278 NaMg Sodium Magnesium namg  
279 Be2 Beryllium diatomic be2  
280 Be2- Beryllium diatomic anion be2-  
281 Be2+ Beryllium diatomic cation be2+  
282 BeMg Beryllium Magnesium bemg  
283 Mg2 Magnesium diatomic mg2  
284 Mg2- magnesium diatomic anion mg2-  
285 Mg2+ magnesium diatomic cation mg2+  
286 Ca2 Calcium diatomic ca2  
287 LiAl Lithium Aluminum lial  
288 BeB Beryllium monoboride beb  
289 B2 Boron diatomic b2  
290 B2- Boron diatomic anion b2-  
291 B2+ Boron diatomic cation b2+  
292 BAl Boron Aluminum bal  
293 Al2 Aluminum diatomic al2  
294 Al2- aluminum diatomic anion al2-  
295 Al2+ aluminum diatomic cation al2+  
296 BGa Boron Gallium bga  
297 AlGa Aluminum Gallium alga  
298 Ga2 Gallium diatomic ga2  
299 HBBH Diborane(2) hbbh  
300 LiBH4 Lithium borohydride libh4  
301 B2H4 Diborane(4) D2d b2h4  
302 HBHHBH Diborane(4) C2V hbhhbh  
303 B2H6 Diborane b2h6  
304 B2H6+ Diborane cation b2h6  
305 Ga2H6 digallane ga2h6  
306 LiC Lithium Carbide lic  
307 BeC Beryllium Carbide bec  
308 CaC Calcium monocarbide cac  
309 BC boron monocarbide bc  
310 BC- boron monocarbide anion bc-  
311 BC+ boron monocarbide cation bc+  
312 AlC Aluminum carbide alc  
313 BSi Boron silicide bsi  
314 C2 Carbon diatomic c2  
315 C2- carbon diatomic anion c2-  
316 C2+ carbon diatomic cation c2+  
317 SiC- silicon monocarbide anion sic-  
318 SiC+ silicon monocarbide cation sic+  
319 Si2 Silicon diatomic si2  
320 Si2- silcon diatomic anion si2-  
321 Si2+ silcon diatomic cation si2+  
322 GeC Germanium monocarbide gec  
323 SiGe Silicon Germanium sige  
324 Ge2 Germanium diatomic ge2  
325 C2H Ethynyl radical c2h  
326 C2H- Ethynyl anion c2h-  
327 C2H+ Ethynyl cation c2h+  
328 ZnCH2 Zinc methylene znch2  
329 C2H2 Acetylene c2h2  
330 C2H2+ acetylene cation c2h2+  
331 CCH2 vinylidene vinylidene  
332 H2CC- vinylidene anion h2cc-  
333 HCCH- acetylene anion c2h2-  
334 Si2H2 disilyne si2h2  
335 CH3Li methyl lithium ch3li  
336 CuCH3 monomethyl copper cuch3  
337 ZnCH3 Zinc monomethyl znch3  
338 CH2BH methyleneborane ch2bh  
339 C2H3 vinyl c2h3  
340 C2H3- vinyl anion c2h3-  
341 C2H3+ vinyl cation c2h3+  
342 C2H4- Ethylene anion c2h4-  
343 C2H4+ Ethylene cation c2h4+  
344 CH3CH methylmethylene ch3ch  
345 CH2SiH2 silaethylene ch2sih2  
346 Si2H4 Disilene si2h4  
347 CH3BH2 methylborane ch3bh2  
348 C2H5 Ethyl radical c2h5  
349 C2H5- Ethyl anion c2h5-  
350 C2H5+ Ethyl cation c2h5+  
351 C2H6 Ethane c2h6  
352 C2H6+ ethane cation c2h6+  
353 CH3SiH3 methyl silane ch3sih3  
354 GeH3CH3 methyl germane geh3ch3  
355 C2H7+ Ethane, protonated c2h7+  
356 LiN Lithium Nitride lin  
357 LiN+ Lithium Nitride cation lin+  
358 LiP Lithium monophosphide lip  
359 BeN Beryllium mononitride ben  
360 BeN- Beryllium mononitride anion ben-  
361 BeN+ Beryllium mononitride cation ben+  
362 MgN Magnesium Nitride mgn  
363 BN- boron nitride anion bn-  
364 AlN- aluminum mononitride anion aln-  
365 AlN+ aluminum mononitride cation aln+  
366 BP Boron monophosphide bp  
367 AlP Aluminum monophosphide alp  
368 GaN Gallium mononitride gan  
369 GaP Gallium monophosphide gap  
370 GaAs Gallium arsenide gaas  
371 BN boron nitride bn  
372 BN+ boron nitride cation bn+  
373 CN+ Cyano cation cn+  
374 CP Carbon monophosphide cp  
375 CP- carbon monophosphide anion cp-  
376 CP+ carbon monophosphide cation cp+  
377 SiN Silicon nitride sin  
378 SiN- silicon mononitride anion sin-  
379 SiN+ silicon mononitride cation sin+  
380 SiP- Silicon monophosphide anion sip-  
381 SiP+ Silicon monophosphide cation sip+  
382 TiN Titanium mononitride tin  
383 N2- nitrogen diatomic anion n2-  
384 N2+ diatomic nitrogen cation n2+  
385 PN- phosphorus nitride anion pn-  
386 PN+ phosphorus nitride cation pn+  
387 P2 Phosphorus diatomic p2  
388 P2- phosphorus diatomic anion p2-  
389 P2+ phosphorus diatomic cation p2+  
390 AsN Arsenic mononitride asn  
391 AsP Arsenic monophosphide asp  
392 SbN Antimony nitride sbn  
393 As2 Arsenic diatomic as2  
394 HNB hydrogen nitrogen boron hnb  
395 HNC hydrogen isocyanide hnc  
396 HCN- Hydrogen cyanide anion hcn-  
397 HCN+ hydrogen cyanide cation hcn+  
398 HNC+ hydrogen isocyanide cation hnc+  
399 HCP Phosphaethyne hcp  
400 HCP+ Phosphaethyne cation hcp+  
401 NNH Dinitrogen monohydride nnh  
402 HPO Hydrogen phosphorus oxide hpo  
403 HPO+ Hydrogen phosphorus oxide cation hpo+  
404 LiNH2 lithium amide linh2  
405 HBNH Boranimine hbnh  
406 CNH2 Aminomethylidyne radical cnh2  
407 CNH2+ N-protonated hydrogen isocyanide cnh2+  
408 H2CN Dihydrogen cyanide radical h2cn  
409 H2CN+ hydrocyanonium cation h2cn+  
410 HCNH methyleneazane hcnh  
411 HCNH+ N-protonated HCN hcnh+  
412 H2NN Isodiazene h2nn  
413 N2H2 (E)-diazene n2h2  
414 N2H2 (Z)-Diazene n2h2z  
415 N2H2+ trans-diazene cation n2h2+  
416 CH2NH Methanimine ch3n  
417 CH2NH+ Methanimine cation ch2nh+  
418 CHNH2 aminomethylene chnh2  
419 CHNH2+ Aminocarbene cation chnh2+  
420 CH2PH Phosphaethene ch3p  
421 BH2NH2 Boranamine bh2nh2  
422 CH2NH2+ methyleneamine cation ch2nh2+  
423 N2H4 Hydrazine n2h4  
424 N2H4+ hydrazine cation n2h4+  
425 P2H4 Diphosphine p2h4  
426 CH3NH2 methyl amine ch3nh2  
427 CH3NH2+ methyl amine cation ch3nh2+  
428 CH3PH2 Methyl phosphine ch3ph2  
429 SiH3NH2 Silane, amino sih3nh2  
430 N2H5+ protonated hydrazine n2h5+  
431 BH3PH3 borane phosphine bh3ph3  
432 BH3NH3 borane ammonia bh3nh3  
433 CH3NH3 methyl ammonium radical ch3nh3  
434 CH3NH3+ protonated methylamine ch3nh3+  
435 CH3PH3+ methyl phosphine, protonated ch3ph3+  
436 NH3NH3 Ammonia Dimer nh3nh3  
437 N2H7+ ammonia ammonium dimer n2h7+  
438 LiO- lithium oxide anion lio-  
439 LiO+ lithium oxide cation lio+  
440 NaO- sodium oxide anion nao-  
441 NaO+ sodium oxide cation nao+  
442 KO Potassium monoxide ko  
443 KO+ Potassium monoxide cation ko+  
444 NaS Sodium sulfide nas  
445 CuO Copper Monoxide cuo  
446 LiSe Lithium monoselenide lise  
447 BeO beryllium oxide beo  
448 BeO- Beryllium monoxide anion beo-  
449 BeO+ Beryllium monoxide cation beo+  
450 BeS beryllium sulfide bes  
451 MgO magnesium oxide mgo  
452 MgO- magnesium oxide anion mgo-  
453 MgO+ magnesium oxide cation mgo+  
454 MgS magnesium sulfide mgs  
455 MgS- magnesium sulfide anion mgs-  
456 MgS+ magnesium sulfide cation mgs+  
457 ZnO zinc monoxide zno  
458 ZnS Zinc sulfide zns  
459 BeS- Beryllium monosulfide anion bes-  
460 BeS+ Beryllium monosulfide cation bes+  
461 BO- boron monoxide anion bo-  
462 AlO Aluminum monoxide alo  
463 AlO- Aluminum monoxide anion alo-  
464 AlO+ aluminum monoxide cation alo+  
465 BS boron sulfide bs  
466 BS- boron monosulfide anion bs-  
467 BS+ boron monosulfide cation bs+  
468 AlS Aluminum sulfide als  
469 AlS- aluminum monosulfide anion als-  
470 AlS+ aluminum monosulfide cation als+  
471 ScO Scandium monoxide sco  
472 GaO Gallium monoxide gao  
473 GaS Gallium monosulfide gas  
474 BO+ boron monoxide cation bo+  
475 CS carbon monosulfide cs  
476 CS- carbon monosulfide anion cs-  
477 CS+ carbon monosulfide cation cs+  
478 SiO Silicon monoxide sio  
479 SiO- silicon monoxide anion sio-  
480 SiO+ silicon monoxide cation sio+  
481 SiS silicon monosulfide sis  
482 SiS- silicon monosulfide anion sis-  
483 SiS+ silicon monosulfide cation sis+  
484 TiO Titanium monoxide tio  
485 CSe Carbon monoselenide cse  
486 CSe- Carbon monoselenide anion cse-  
487 CSe+ Carbon monoselenide cation cse+  
488 GeO Germanium monoxide geo  
489 GeO+ Germanium monoxide cation geo+  
490 GeS Germanium monosulfide ges  
491 SiSe Silicon Monoselenide sise  
492 SiSe+ Silicon Monoselenide cation sise+  
493 GeSe Germanium monoselenide gese  
494 NO- nitric oxide anion no-  
495 NO+ nitric oxide cation no+  
496 NS- nitrogen sulfide anion ns-  
497 NS+ nitrogen sulfide cation ns+  
498 PO- phosphorus monoxide anion po-  
499 PO+ phosphorus monoxide cation po+  
500 PS- phosphorus monosulfide anion ps-  
501 PS+ phosphorus monosulfide cation ps+  
502 VO Vanadium monoxide vo  
503 AsO Arsenic monoxide aso  
504 NSe Nitrogen monoselenide nse  
505 AsS Arsenic monosulfide ass  
506 PSe Phosphorus monoselenide pse  
507 AsSe Arsenic monoselenide asse  
508 O2- oxygen diatomic anion o2-  
509 O2-- dioxygen dianion o2--  
510 O2+ diatomic oxygen cation o2+  
511 SO- sulfur monoxide anion so-  
512 SO+ sulfur monoxide cation so+  
513 S2 Sulfur diatomic s2  
514 S2- sulfur diatomic anion s2-  
515 S2+ sulfur diatomic cation s2+  
516 SeO Selenium monoxide seo  
517 SeO- selenium monoxide anion seo-  
518 SeO+ selenium monoxide cation seo+  
519 SeS Selenium monosulfide ses  
520 SeS- selenium monosulfide anion ses-  
521 SeS+ selenium monosulfide cation ses+  
522 TeO Tellurium monoxide teo  
523 Se2 Selenium diatomic se2  
524 Se2- selenium diatomic anion se2-  
525 Se2+ selenium diatomic cation se2+  
526 Te2 Tellurium diatomic te2  
527 LiOH lithium hydroxide lioh  
528 NaOH sodium hydroxide naoh  
529 KOH Potassium hydroxide koh  
530 BeOH beryllium monohydroxide beoh  
531 MgOH magnesium hydroxide mgoh  
532 CaOH Calcium monohydroxide caoh  
533 HBO Boron hydride oxide hbo  
534 HBS hydrogen boron sulfide hbs  
535 COH Hydroxymethylidyne coh  
536 COH+ Carbon Monoxide, protonated coh+  
537 HCO Formyl radical hco  
538 HCO- formyl anion hco-  
539 HCO+ Formyl cation hco+  
540 HCS Thioformyl radical hcs  
541 HCS- Thioformyl anion hcs-  
542 HCS+ Thioformyl cation hcs+  
543 HNO Nitrosyl hydride hno  
544 HNO- Nitrosyl hydride anion hno-  
545 HNO+ Nitrosyl hydride cation hno+  
546 NOH Hydroxyimidogen noh  
547 NOH+ O-protonated nitric oxide noh+  
548 HNS Sulfur imide hns  
549 HNS- Sulfur imide anion hns-  
550 HO2- Hydroperoxy anion ho2-  
551 HO2+ Hydroperoxy cation ho2+  
552 HSO+ Sulfur Monoxide, S-protonated HSO+  
553 SOH+ Sulfur Monoxide, protonated soh+  
554 H2CO- formaldehyde anion h2co-  
555 H2CO+ formaldehyde cation h2co+  
556 HOCH hydroxycarbene hoch  
557 H2CS- thioformaldehyde anion h2cs-  
558 H2CS+ thioformaldehyde cation h2cs+  
559 H2CSe Selenoformaldehyde h2cse  
560 H2NO nitroxide h2no  
561 H2O2 Hydrogen peroxide h2o2  
562 H2O2+ Hydrogen peroxide cation h2o2+  
563 H2OO water oxide h2oo  
564 HOSH hydrogen thioperoxide hosh  
565 H2Se2 hydrogen diselenide h2se2  
566 CH2OH Hydroxymethyl radical ch2oh  
567 CH2OH+ hydroxymethyl cation ch2oh+  
568 CH3O Methoxy radical ch3o  
569 CH3O- methoxy anion ch3o-  
570 CH3O+ Methoxy cation ch3o+  
571 CH3S thiomethoxy ch3s  
572 NH2OH hydroxylamine nh2oh  
573 NH2OH+ Hydroxylamine cation nh2oh+  
574 NH3O Ammonia Oxide nh3o  
575 H2POH Phosphinous acid h2poh  
576 H3PO Phosphine oxide h3po  
577 NH2SH Thiohydroxylamine nh2sh  
578 NH3S sulfidoazane nh3s  
579 H3O2+ hydrogen peroxide, protonated h3o2+  
580 CH3OH Methyl alcohol ch3oh  
581 CH3OH- Methyl alcohol anion ch3oh-  
582 CH3OH+ Methyl alcohol cation ch3oh+  
583 SiH3OH silanol sih3oh  
584 CH3SeH Methane selenol ch3seh  
585 NH2OH2+ protonated hydroxylamine nh2oh2+  
586 NH3OH+ N-protonated hydroxylamine nh3oh+  
587 H2OH2O water dimer h2oh2o  
588 CH3OH2+ Methanol, protonated ch3oh2+  
589 H2ONH3 Water Ammonia Dimer h2onh3  
590 H5O2+ Dihydroxonium ion h5o2+  
591 LiCl- lithium chloride anion licl-  
592 LiCl+ lithium chloride cation licl+  
593 NaF- sodium fluoride anion naf-  
594 NaF+ sodium fluoride cation naf+  
595 KF Potassium Fluoride kf  
596 NaCl- sodium chloride anion nacl-  
597 NaCl+ sodium chloride cation nacl+  
598 KCl Potassium Chloride kcl  
599 CuF Copper monofluoride cuf  
600 LiBr Lithium Bromide libr  
601 LiBr- lithium bromide anion libr-  
602 LiBr+ lithium bromide cation libr+  
603 CuCl Copper monochloride cucl  
604 NaBr Sodium Bromide nabr  
605 NaBr- sodium bromide anion nabr-  
606 NaBr+ sodium bromide cation nabr+  
607 KBr Potassium Bromide kbr  
608 LiI Lithium Iodide lii  
609 NaI Sodium Iodide nai  
610 KI Potassium Iodide ki  
611 LiF- lithium fluoride anion lif-  
612 LiF+ lithium fluoride cation lif+  
613 BeF Beryllium monofluoride bef  
614 BeF- Beryllium monofluoride anion bef-  
615 BeF+ Beryllium monofluoride cation bef+  
616 BeCl beryllium monochloride becl  
617 MgF Magnesium monofluoride mgf  
618 MgF- magnesium fluoride anion mgf-  
619 MgF+ magnesium fluoride cation mgf+  
620 CaF Calcium monofluoride caf  
621 MgCl magnesium monochloride mgcl  
622 MgCl- magnesium monochloride anion mgcl-  
623 MgCl+ magnesium monochloride cation mgcl+  
624 CaCl calcium monochloride cacl  
625 TiCl Titanium Monochloride ticl  
626 ZnF Zinc monofluoride znf  
627 ZnF- Zinc monofluoride anion znf-  
628 ZnF+ Zinc monofluoride cation znf+  
629 ZnCl Zinc monochloride zncl  
630 CaBr Calcium monobromide cabr  
631 BeCl- beryllium monochloride anion becl-  
632 BeCl+ beryllium monochloride cation becl+  
633 BF- Boron monofluoride anion bf-  
634 BF+ Boron monofluoride cation bf+  
635 AlF Aluminum monofluoride alf  
636 AlF- Aluminum monofluoride anion alf-  
637 AlF+ Aluminum monofluoride cation alf+  
638 BCl boron monochloride bcl  
639 BCl- boron monochloride anion bcl-  
640 BCl+ boron monochloride cation bcl+  
641 AlCl Aluminum monochloride alcl  
642 AlCl- aluminum monochloride anion alcl-  
643 AlCl+ aluminum monochloride cation alcl+  
644 ScF Scandium monofluoride scf  
645 BBr Boron monobromide bbr  
646 GaF Gallium monofluoride gaf  
647 GaF+ Gallium monofluoride cation gaf+  
648 AlBr Aluminum monobromide albr  
649 GaCl Gallium monochloride gacl  
650 GaCl+ Gallium monochloride cation gacl+  
651 AlI Aluminum monoiodide ali  
652 GaBr Gallium monobromide gabr  
653 CF- carbon monofluoride anion cf-  
654 CF+ carbon monofluoride cation cf+  
655 CCl carbon monochloride ccl  
656 CCl- carbon monochloride anion ccl-  
657 CCl+ carbon monochloride cation ccl+  
658 SiF- silicon monofluoride anion sif-  
659 SiCl Clorosilylidyne sicl  
660 SiCl- silicon monochloride anion sicl-  
661 SiCl+ silicon monochloride cation sicl+  
662 CBr Carbon monobromide cbr  
663 GeF Germanium monofluoride gef  
664 GeF+ Germanium monofluoride cation gef+  
665 GeCl Germanium monochloride gecl  
666 GeCl+ Germanium monochloride cation gecl+  
667 SiBr Silicon monobromide sibr  
668 SiBr+ Silicon monobromide cation sibr+  
669 NF nitrogen fluoride nf  
670 NF- nitrogen monofluorine anion nf-  
671 NF+ nitrogen monofluoirde cation nf+  
672 NCl- nitrogen monochloride anion ncl-  
673 NCl+ nitrogen monochloride cation ncl+  
674 PF phosphorus monofluoride pf  
675 PF- phosphorus monofluoride anion pf-  
676 PF+ phosphorus monofluoride cation pf+  
677 PCl phosphorus chloride pcl  
678 PCl- phosphorus monochloride anion pcl-  
679 PCl+ phosphorus monochloride cation pcl+  
680 AsF Arsenic monofluoride asf  
681 NBr nitrogen monobromide nbr  
682 AsCl Arsenic monochloride ascl  
683 PBr Phosphorus monobromide pbr  
684 SbF Antimony monofluoride sbf  
685 SbCl Antimony monochloride sbcl  
686 FO Oxygen monofluoride fo  
687 FO- flourine oxide anion fo-  
688 FO+ fluorine monoxide cation fo+  
689 ClO- chlorine monoxide anion clo-  
690 ClO+ chlorine monoxide cation clo+  
691 SF- sulfur monofluoride anion sf-  
692 SCl- sulfur monochloride anion scl-  
693 BrO Bromine monoxide bro  
694 BrO- Bromine monoxide anion bro-  
695 BrO+ Bromine monoxide cation bro+  
696 SeF Selenium monofluoride sef  
697 SBr Sulfur monobromide radical sbr  
698 SBr+ Sulfur monobromide cation sbr+  
699 SeCl Selenium monochloride secl  
700 IO Iodine monoxide io  
701 SeBr Selenium monobromide sebr  
702 BrCl Bromine monochloride brcl  
703 F2- flourine diatomic anion f2-  
704 F2+ flourine diatomic cation f2+  
705 ClF- clorine monofluoride anion clf-  
706 ClF+ clorine monofluoride cation clf+  
707 Cl2- chlorine diatomic anion cl2-  
708 BrF Bromine monofluoride brf  
709 BrF- bromine fluoride anion brf-  
710 BrF+ bromine fluoride cation brf+  
711 BrCl- bromine chloride anion brcl-  
712 BrCl+ bromine chloride cation brcl+  
713 IF Iodine monofluoride if  
714 Br2 Bromine diatomic br2  
715 Br2- bromine diatomic anion br2-  
716 Br2+ bromine diatomic cation br2+  
717 ICl Iodine monochloride icl  
718 IBr Iodine monobromide ibr  
719 I2 Iodine diatomic i2  
720 I2+ Iodine diatomic cation i2+  
721 HCF Fluoromethylene hcf  
722 HCCl Chloromethylene hccl  
723 HSiF fluorosilylene hsif  
724 HSiCl Chlorosilylene hsicl  
725 HSiBr monobromosilylene hsibr  
726 CHBr bromomethylene chbr  
727 HOF Hypofluorous acid hfo  
728 DOCl Hypochlorous acid-d docl  
729 HOCl hypochlorous acid hocl  
730 HOCl+ hypochlorous acid cation hocl+  
731 HOBr Hypobromous acid hobr  
732 HOBr+ Hypobromous acid cation hobr+  
733 HOI Hypoiodous acid hoi  
734 F2H+ Fluorine, protonated f2h+  
735 FHF Hydrogen difluoride fhf  
736 FHF- Hydrogen difluoride anion fhf-  
737 ClFH+ Chlorine fluoride, F-protonated clfh+  
738 FClH+ Chlorine fluoride, Cl-protonated fclh+  
739 Cl2H+ Chlorine, protonated cl2h+  
740 CH2Br bromomethyl radical ch2br  
741 CH2F fluoromethyl radical ch2f  
742 CH2F+ fluoromethyl cation ch2f+  
743 CH2Cl+ chloromethyl cation ch2cl+  
744 NH2F monofluoroamine nh2f  
745 NH2Cl chloramine nh2cl  
746 H2F2 Hydrogen fluoride dimer h2f2  
747 CH3F+ methyl fluoride cation ch3f+  
748 CD3F methylfluoride-d3 cd3f  
749 CD3Cl methyl chloride d3 cd3cl  
750 CH3Cl+ Methyl chloride cation ch3cl+  
751 SiH3F monofluorosilane sih3f  
752 CH3Br methyl bromide ch3br  
753 GeH3F monofluorogermane geh3f  
754 GeH3Cl monochlorogermane geh3cl  
755 SiH3Br bromosilane sih3br  
756 CH3I methyl iodide ch3i  
757 SiH3I Silyl Iodide sih3i  
758 NH3Cl+ protonated monochloroammonia nh3cl+  
759 CH3ClH+ methyl chloride, protonated ch3clh+  
760 NH4Cl Ammonium chloride nh4cl  
761 LiNe+ Lithium Neon cation line+  
762 Ne2 Neon diatomic ne2  
763 Ne2+ Neon diatomic cation ne2+  
764 Ar2 Argon diatomic ar2  
765 Ar2+ Argon diatomic cation ar2+  
766 Li3 Lithium trimer li3  
767 Li3+ Lithium trimer cation li3+  
768 C3 carbon trimer c3  
769 C3+ carbon trimer cation c3+  
770 SiC2 Silicon dicarbide sic2  
771 C3H3 cyclopropenyl radical cpr  
772 C3H3 Propargyl radical propargyl  
773 C3H3- Propargyl anion c3h3-  
774 C3H3+ cyclopropenyl cation cpr+  
775 C3H3+ Propargyl cation c3h3+  
776 C3H4 cyclopropene cprop  
777 CH2CCH2 allene allene  
778 CH3CCH propyne propyne  
779 C3H5 Allyl radical allyl  
780 C3H5+ Allyl cation allyl+  
781 CH3CHCH 1-propenyl radical ch3chch  
782 Zn(CH3)2 dimethyl zinc dmz  
783 C3H6 Cyclopropane c3h6  
784 CH2CHCH3 Propene propene  
785 C3H7 n-Propyl radical npropyl  
786 C3H7+ cyclopropane, protonated c3h7+  
787 CH3CHCH3 Isopropyl radical isopropyl  
788 CH3CHCH3+ Isopropyl cation prop2yl+  
789 C3H8 Propane propane  
790 SiH2(CH3)2 dimethylsilane dms  
791 KCN Potassium cyanide kcn  
792 CuCN Copper cyanide cucn  
793 ZnCN Zinc monocyanide zncn  
794 ZnNC Zinc isocyanide znnc  
795 AlCN Aluminum monocyanide alcn  
796 CN2 3H-Diazirin-3-ylidene cn2  
797 CNN Diazocarbene cnn  
798 NCN Cyanoimidogen ncn  
799 N3 azide radical n3  
800 N3- azide anion n3-  
801 N3+ azide cation n3+  
802 HCCN cyanomethylene hccn  
803 HCNN diazomethyl radical hcnn  
804 HN3 hydrogen azide hn3  
805 HN3+ Hydrazoic acid cation hn3+  
806 HNCNH diiminomethane hncnh  
807 CH2N2 diazirine ch2n2  
808 CH2NN diazomethane ch2nn  
809 NH2CN cyanamide cyanamide  
810 HNNNH+ 1,2-Triazadienium n2h3+  
811 NH2NN+ hydrazoic acid, protonated nh2nn+  
812 CH3CN Acetonitrile ch3cn  
813 CH3CN- acetonitrile anion ch3cn-  
814 CH3CN+ Acetonitrile cation ch3cn+  
815 CH3NC methyl isocyanide ch3nc  
816 CHNCH2 2H-Azirine c157164  
817 CHNHCH 1H-Azirine chnhch  
818 H2CCNH Ethenimine ch2cnh  
819 H2CNCH methyleneaminomethylene ch2nch  
820 HCCNH2 Ethynamine hccnh2  
821 HCNCH2+ 2H-Azirine cation hcnch2+  
822 HNCNH2+ diiminomethane, protonated hncnh2+  
823 NCNH3+ Cyanamide, protonated ncnh3+  
824 NH2CNH+ cyanamide, cn protonated nh2cnh+  
825 NH3CN+ cyanamide, amine protonated nh3cn+  
826 CH2CHNH vinylazine ch2chnh  
827 CH3CHN methylmethaniminyl radical ch3chn  
828 NHCHNH2 aminomethanimine cn2h4  
829 C2H5N Aziridine c2h5n  
830 CH2CHNH2 aminoethene aminoethene  
831 CH2NCH3 N-methylmethanimine nmm  
832 CH3CHNH ethanimine ethanimine  
833 NH2BHNH2 diaminoborane nh2bhnh2  
834 C2H5NH+ Protonated Aziridine c2h5nh+  
835 C2H6N+ aziridine, protonated c2h6n+  
836 NH2CH2NH2 diaminomethane nh2ch2nh2  
837 CH3CH2NH2 Ethylamine etam  
838 CH3NHCH3 Dimethylamine ch3nhch3  
839 CH3PHCH3 dimethylphosphine ch3phch3  
840 NH2CH2NH3+ diaminoethane, protonated pdam  
841 (CH3)2NH2+ dimethylammonium cation dmam  
842 CH3CH2NH3+ ethylamine, protonated pea  
843 Li2O dilithium oxide li2o  
844 Li2O+ dilithium oxide cation li2o+  
845 Na2S Sodium sulfide na2s  
846 LiO2 Lithium dioxide lio2  
847 NaO2 Sodium superoxide nao2  
848 CNO- fulminate cno-  
849 NCO isocyanato radical nco  
850 NCO- cyanate nco-  
851 SCN thiocyanato radical scn  
852 SCN- thiocyanide anion scn-  
853 BO2 Boron dioxide bo2  
854 BO2- Boron dioxide anion bo2-  
855 BO2+ Boron dioxide cation bo2+  
856 N2O Nitrous oxide n2o  
857 N2O- Nitrous oxide anion n2o-  
858 N2O+ Nitrous oxide cation n2o+  
859 NNS Nitrogen sulfide nns  
860 PPO Phosphorus oxide phosphide ppo  
861 CO2- Carbon dioxide anion co2-  
862 CO2+ Carbon dioxide cation co2+  
863 OCS Carbonyl sulfide cos  
864 OCS+ Carbonyl sulfide cation cos+  
865 SiO2 silicon dioxide sio2  
866 CS2 Carbon disulfide cs2  
867 CS2- Carbon disulfide anion cs2-  
868 CS2+ Carbon disulfide cation cs2+  
869 TiO2 Titanium dioxide tio2  
870 GeO2 Germanium dioxide geo2  
871 OCSe Carbonyl selenide ocse  
872 SCSe Carbon sulfide selenide scse  
873 GeS2 Germanium disulfide ges2  
874 CSe2 Carbon diselenide cse2  
875 SCTe Carbon sulfide Telluride scte  
876 NO2 Nitrogen dioxide no2  
877 NO2- Nitrogen dioxide anion no2-  
878 NO2+ Nitrogen dioxide cation no2+  
879 PO2 Phosphorus dioxide po2  
880 PO2- Phosphorus dioxide anion po2-  
881 PO2+ Phosphorus dioxide cation po2+  
882 AsO2 Aresenic dioxide aso2  
883 O3 Ozone o3  
884 O3- Ozone anion o3-  
885 O3+ Ozone cation o3+  
886 SO2- Sulfur dioxide anion so2-  
887 SO2+ Sulfur dioxide cation so2+  
888 SSO Disulfur monoxide sso  
889 S3 Sulfur trimer s3  
890 S3- Sulfur trimer anion s3-  
891 SeO2 Selenium dioxide seo2  
892 SeO2+ Selenium dioxide cation seo2+  
893 TeO2 Tellurium Dioxide teo2  
894 HCCO ketenyl radical ketenyl  
895 CS2H+ Carbon disulfide, protonated cs2h+  
896 HCNO fulminic acid hcno  
897 HNCO Isocyanic acid hnco  
898 HOCN cyanic acid hocn  
899 HNCS Isothiocyanic acid hncs  
900 HSCN thiocyanic acid hscn  
901 HCO2- formate anion hco2-  
902 HNNO nitrosoazane hnno  
903 HNNO+ Nitrous oxide, N-protonated hnno+  
904 NNOH+ Nitrous Oxide, O-protonated nnoh+  
905 HCOO formate neutral radical hcoo  
906 HOCO Hydrocarboxyl radical hoco  
907 HOCO+ Hydrocarboxyl cation hoco+  
908 HNO2 Nitrous acid hno2  
909 HNO2+ nitrous acid cation hno2+  
910 O3H+ protonated ozone o3h+  
911 SO2H+ protonated sulfur dioxide so2h+  
912 C2H2O Oxirene oxirene  
913 CH2CO Ketene ch2co  
914 CH2CO+ Ketene cation ch2co+  
915 HCCOH ethynol hccoh  
916 CH2CS Thioketene ch2cs  
917 Be(OH)2 Beryllium hydroxide beo2h2  
918 Mg(OH)2 Magnesium dihydroxide h2mgo2  
919 NH2NO Nitrosamide nh2no  
920 CH2O2 Dioxirane diox  
921 H2COO Dioxymethyl radical h2coo  
922 H2COO+ dioxymethyl cation h2coo+  
923 HCOOH Formic acid ch2o2  
924 H2O3 Hydrogen trioxide h2o3  
925 HSSSH trisulfane hsssh  
926 NaOCH3 Sodium methoxide naoch3  
927 CH2BOH hydroxy(methylene)borane ch2boh  
928 CH3BO Borane, methyloxo- ch3bo  
929 CH2CHO Vinyloxy radical ch2cho  
930 CH2COH+ ketene, protonated ch2coh+  
931 CH3CO Acetyl radical ch3co  
932 CH3CO- Acetyl anion ch3co-  
933 CH3CO+ acetyl cation ch3co+  
934 CH2NOH formaldoxime ch2noh  
935 CH3NO nitrosomethane ch3no  
936 CHONH2 formamide formamide  
937 CNOH3 1,2-oxaziridine cnoh3  
938 HOCHNH hydroxymethylimine hochnh  
939 CHSNH2 thioformamide chsnh2  
940 NHCHSH Methanimidothioic acid nhchsh  
941 CH2OOH CH2OOH radical ch2ooh  
942 CH3OO methylperoxy radical ch3oo  
943 CH3OO- methylperoxy anion ch3oo-  
944 CH3OO+ methylperoxy cation ch3oo+  
945 C2H4O Ethylene oxide c2h4o  
946 C2H4O+ ethylene oxide cation c2h4o+  
947 CH2CHOH ethenol ch2choh  
948 CH3CHO Acetaldehyde ch3cho  
949 CH3CHO+ acetaldehyde cation ch3cho+  
950 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
951 C2H4S Thiirane thiirane  
952 CH2CHSH Ethenethiol ch2chsh  
953 CH3CHS Thioacetaldehyde ch3chs  
954 H2CONH2+ protonated formamide h2conh2+  
955 NH2CHOH+ Formamide, O-protonated nh2choh+  
956 NH3CHO+ Formamide, N-Protonated nh3cho+  
957 CH2(OH)2 methanediol ch2o2h2  
958 CH3OOH Methyl peroxide ch3ooh  
959 HSCH2SH Methanedithiol ch4s2  
960 H2OH2CO water formaldehyde dimer h2oh2co  
961 C2H4OH+ ethylene oxide, protonated c2h4oh+  
962 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
963 CH3CH2O Ethoxy radical ethoxy  
964 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
965 CH3CHOH+ acetaldehyde, protonated ch3choh+  
966 CH3OCH2 methoxymethyl radical ch3och2  
967 NH2CH2OH aminomethanol nh2ch2oh  
968 CH3CH2OH Ethanol etoh  
969 CH3OCH3 Dimethyl ether meome  
970 CH3SCH3 Dimethyl sulfide mesme  
971 CH3SCH3+ dimethyl sulfide cation mesme+  
972 CH3SeCH3 dimethylselenide dmse  
973 CH3OHH2O methanol water dimer ch3ohh2o  
974 H2OCH3OH water methanol dimer h2och3oh  
975 CuF2 Copper difluoride cuf2  
976 ZnF2 Zinc difluoride znf2  
977 CNF iso cyanogen fluoride cnf  
978 FCN Cyanogen fluoride fcn  
979 ClCN chlorocyanogen clcn  
980 BrCN Cyanogen bromide brcn  
981 ICN Cyanogen iodide icn  
982 FBO Boron monofluoride monoxide fbo  
983 BeF2 Beryllium fluoride bef2  
984 MgF2 Magnesium fluoride mgf2  
985 BeCl2 Beryllium chloride becl2  
986 MgCl2 Magnesium dichloride mgcl2  
987 CaCl2 Calcium Chloride cacl2  
988 ZnCl2 Zinc dichloride zncl2  
989 BeBr2 Beryllium bromide bebr2  
990 CaBr2 Calcium dibromide cabr2  
991 CaF2 Calcium difluoride caf2  
992 FCO Carbonyl fluoride fco  
993 FCO+ Carbonyl fluoride cation fco+  
994 ClCO carbonyl monochloride clco  
995 BF2 Boron difluoride radical bf2  
996 FNO Nitrosyl fluoride fno  
997 ClNO Nitrosyl chloride clno  
998 BrNO Nitrosyl bromide brno  
999 INO Nitrosyl iodide ino  
1000 CF2- Difluoromethylene anion cf2-  
1001 CF2+ Difluoromethylene cation cf2+  
1002 CFCl chlorofluoromethylene cfcl  
1003 SiF2 Silicon difluoride sif2  
1004 SiF2+ Silicon difluoride cation sif2+  
1005 CCl2 dichloromethylene ccl2  
1006 CCl2- dichloromethylene anion ccl2-  
1007 CCl2+ dichloromethylene cation ccl2+  
1008 SiCl2 Dichlorosilylene sicl2  
1009 GeF2 Germanium difluoride gef2  
1010 GeCl2 Germanium dichloride gecl2  
1011 CBr2 dibromomethylene cbr2  
1012 FOO Dioxygen monofluoride radical foo  
1013 FOO+ Fluorine dioxide cation foo+  
1014 ClOO chloroperoxy radical cloo  
1015 ClOO+ chloroperoxy cation cloo+  
1016 OClO- Chlorine dioxide anion oclo-  
1017 OClO+ Chlorine dioxide cation oclo+  
1018 ClS2 Sulfur chloride cls2  
1019 BrOO Bromine dioxide broo  
1020 OBrO Bromine dioxide radical obro  
1021 NF2 Difluoroamino radical nf2  
1022 NF2+ Difluoroamino cation nf2+  
1023 PF2 Phosphorus difluoride pf2  
1024 PF2+ Phosphorus difluoride cation pf2+  
1025 F2O Difluorine monoxide f2o  
1026 SF2- sulfur difluoride anion sf2-  
1027 SF2+ sulfur difluoride cation sf2+  
1028 Cl2O Dichlorine monoxide cl2o  
1029 SCl2 Sulfur dichloride scl2  
1030 SeF2 Selenium difluoride sef2  
1031 BrOCl Bromine hypochlorite brocl  
1032 SeCl2 Selenium Dichloride secl2  
1033 SBr2 Sulfur dibromide sbr2  
1034 SeBr2 Selenium dibromide sebr2  
1035 BrOBr Bromine oxide brobr  
1036 F3- trifluoride anion f3-  
1037 Cl3- trichloride anion cl3-  
1038 Br3- tribromide anion br3-  
1039 I3- triiodide i3-  
1040 SFCl Sulfur chloride fluoride sfcl  
1041 HCCF+ fluoroacetylene cation hccf+  
1042 HCCCl Chloroacetylene hcccl  
1043 HCCBr bromoacetylene hccbr  
1044 HFCO formyl fluoride hfco  
1045 HFCO+ formyl fluoride cation hfco+  
1046 COHCl Formyl chloride cohcl  
1047 COHBr Formyl bromide cohbr  
1048 BHF2 Difluoroborane bhf2  
1049 BHCl2 Borane, dichloro- bhcl2  
1050 CHCl2 dichloromethyl radical chcl2  
1051 CHF2 difluoromethyl radical chf2  
1052 CHF2+ difluoromethyl cation chf2+  
1053 CHFCl Chlorofluoromethyl radical chfcl  
1054 CHFCl+ Chlorofluoromethyl cation chfcl+  
1055 CHCl2+ dichloromethyl cation chcl2+  
1056 CHBr2 dibromomethyl radical chbr2  
1057 HOClO Chlorous acid hoclo  
1058 NHF2 difluoramine nhf2  
1059 NHCl2 dichloroamine nhcl2  
1060 CH2FCl fluorochloromethane ch2fcl  
1061 SiH2F2 difluorosilane sih2f2  
1062 CH2Cl2 Methylene chloride ch2cl2  
1063 CH2BrF Methane, bromofluoro- ch2fbr  
1064 CH2BrCl Methane, bromochloro- ch2clbr  
1065 CH2FI fluoroiodomethane ch2fi  
1066 CH2Br2 dibromomethane ch2br2  
1067 CH2ClI chloroiodomethane ch2cli  
1068 CH2BrI bromoiodomethane ch2bri  
1069 CH2I2 Diiodomethane ch2i2  
1070 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1071 CH2CHF Ethene, fluoro- ch2chf  
1072 CH2CHF+ fluoroethene cation ch2chf+  
1073 C2H3Cl Ethene, chloro- ch2chcl  
1074 C2H3Br vinyl bromide c2h3br  
1075 C2H3I Vinyl iodide c2h3i  
1076 CH2FOH fluoromethanol ch2foh  
1077 CH3OCl methyl hypochlorite ch3ocl  
1078 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1079 CHClCH3 1-chloroethyl radical chclch3  
1080 C2H5F fluoroethane c2h5f  
1081 CH3CH2Cl Ethyl chloride c2h5cl  
1082 CH3SiFH2 fluoromethylsilane ch3sifh2  
1083 C2H5Br Ethyl bromide etbr  
1084 C2H5I Ethyl iodide c2h5i  
1085 KrF2 Krypton difluoride krf2  
1086 XeF2 Xenon difluoride xef2  
1087 B4H10 Tetraborane(10) b4h10  
1088 C4 Carbon tetramer c4  
1089 C4+ Carbon tetramer cation c4+  
1090 C4H2 Diacetylene c4h2  
1091 C4H2+ diacetlyene cation c4h2+  
1092 C2H3CCH 1-Buten-3-yne c2h3cch  
1093 C4H4 cyclobutadiene cbd  
1094 C4H4 Tetrahedrane c4h4  
1095 H2CCCCH2 Butatriene h2cccch2  
1096 C4H6 1-Methylcyclopropene c3100047  
1097 C4H6 Cyclobutene c822355  
1098 C4H6 Methylenecyclopropane c6142730  
1099 CH2CCHCH3 1,2-Butadiene butad12  
1100 CH2CHCHCH2 1,3-Butadiene c106990  
1101 CH3CCCH3 2-Butyne c503173  
1102 CHCCH2CH3 1-Butyne c107006  
1103 CH3CHCHCH2 methylallyl radical c4h7  
1104 C4H8 methylcyclopropane mcp  
1105 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1106 CH2CHCH2CH3 1-Butene bute1  
1107 CH3CHCHCH3 2-Butene, (E)- bute2e  
1108 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1109 B(CH3)3 trimethylborane bme3  
1110 Al(CH3)3 trimethyl aluminum tma  
1111 C(CH3)3 Tert-butyl radical tbutyl  
1112 CH2CH(CH3)2 Isobutyl radical isobutyl  
1113 CH3CHCH2CH3 2-Butyl radical butyl2  
1114 CH3CH(CH3)CH3 Isobutane isobutane  
1115 CH3CH2CH2CH3 Butane butane  
1116 SiH(CH3)3 trimethylsilane trimsi  
1117 Li3N trilithium nitride li3n  
1118 C2N2 Cyanogen c2n2  
1119 C2N2+ Cyanogen cation c2n2+  
1120 P4 Phosphorus tetramer p4  
1121 As4 Arsenic tetramer as4  
1122 HCCCN Cyanoacetylene hcccn  
1123 HCCCN+ Cyanoacetylene cation hcccn+  
1124 H2CNCN cyanamide, methylene ch2ncn  
1125 HNCCNH Ethenediimine hnccnh  
1126 C3H3N acrylonitrile ch2chcn  
1127 C3H3N+ acrylonitrile cation ch2chcn+  
1128 CH3N3 methyl azide ch3n3  
1129 NH2CCNH2 Diaminoacetylene daa  
1130 NH2CH2CN Aminoacetonitrile aan  
1131 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1132 C2H5CN ethyl cyanide c2h5cn  
1133 CH5N3 Guanidine guanidine  
1134 C4H6 Bicyclo[1.1.0]butane c157335  
1135 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1136 H2NCHCHNH2 diaminoethylene dae  
1137 CH6N3+ guanidinium ch6n3+  
1138 C3H7N Cyclopropylamine cpram  
1139 CH7N3 triaminomethane tam  
1140 C3H7N Azetidine azet  
1141 C4H8 cyclobutane cbutane  
1142 C2H8N2 Ethylenediamine ethdiam  
1143 CH3NHNHCH3 dimethyl hydrazine dmh  
1144 CH3CH(NH2)CH3 2-Propanamine pram2  
1145 N(CH3)3 Trimethylamine trimeam  
1146 NH2CH2CH2CH3 1-Propanamine pram1  
1147 P(CH3)3 trimethylphosphine tmp  
1148 N(SiH3)3 trisilylamine tsa  
1149 As(CH3)3 trimethyl arsine tmas  
1150 (CH3)3NH+ protonated trimethyl amine ptma  
1151 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1152 Li2O2 dilithium dioxide li2o2  
1153 Na2O2 disodium dioxide na2o2  
1154 K2O2 dipotassium dioxide k2o2  
1155 C3O Tricarbon monoxide c3o  
1156 B2O2 Diboron dioxide b2o2  
1157 ONNO NO dimer onno  
1158 CO3 Carbon trioxide co3  
1159 CO3-- carbonate co3--  
1160 NO3 Nitrogen trioxide no3  
1161 NO3- nitrate anion no3-  
1162 NO3+ nitrogen trioxide cation no3+  
1163 SO3- Sulfur trioxide anion so3-  
1164 SO3-- Sulfate dianion so3--  
1165 SO3+ Sulfur trioxide cation so3+  
1166 SeO3 selenium trioxide seo3  
1167 TeO3 Tellurium trioxide teo3  
1168 HCO3- bicarbonate anion hco3-  
1169 HNO3 Nitric acid hno3  
1170 HSO3 Hydroxysulfonyl radical hso3  
1171 NH2NO2 nitramide nh2no2  
1172 C2H2CO cyclopropenone c2h2co  
1173 C3H2O Propadienal c3h2o  
1174 HCCCHO 2-propynal hcccho  
1175 C2H2O2 Ethanedial c2h2o2  
1176 C2H2O2+ Ethanedial cation c2h2o2+  
1177 H2CO3 Carbonic acid h2co3  
1178 H2CS3 thiocarbonic acid h2cs3  
1179 H2NO3+ Nitric Acid, Protonated h2no3+  
1180 H2SO3 Sulfurous acid h2so3  
1181 C2H3NO Nitrosoethylene c2h3no  
1182 CH3NCO methylisocyante ch3nco  
1183 HOCH2CN cyanomethanol hoch2cn  
1184 CH3COO- acetate anion ch3coo-  
1185 CH3NO2 Methane, nitro- ch3no2  
1186 CH3ONO Methyl nitrite ch3ono  
1187 NH2COOH Carbamic acid nh2cooh  
1188 H3BO3 Boric acid h3bo3  
1189 H3CO3+ carbonic acid, protonated h3co3+  
1190 C3H4O 2-Propyn-1-ol c107197  
1191 C3H4O allenol c9000071  
1192 C3H4O Cyclopropanone cpone  
1193 C3H4O Methylketene c6004440  
1194 CH2CHCHO Acrolein c3h4o  
1195 NH2CONH2 Urea urea  
1196 NH2CONH2+ Urea cation urea+  
1197 NH2CSNH2 Thiourea thiourea  
1198 C2H4O2 1,3-dioxetane c2h4o2  
1199 CH3COOH Acetic acid ch3cooh  
1200 CH3OCHO methyl formate ch3ocho  
1201 CHOCH2OH hydroxy acetaldehyde haa  
1202 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1203 NH3COOH+ protonated Carbamic acid nh3cooh+  
1204 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1205 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1206 HCOOHH2O Formic acid water dimer hcoohh2o  
1207 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1208 CH3COCH2 Acetonyl radical ch3coch2  
1209 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1210 CH3C(OH)=NH Ethaninidic acid eia  
1211 CH3CHNOH Acetaldoxime acetaldoxime  
1212 CH3CONH2 Acetamide acetamide  
1213 HCONHCH3 N-methylformamide nmfa  
1214 CH3CSNH2 Ethanethioamide ch3csnh2  
1215 CH5N2O+ urea, N-protonated ch4n2o+  
1216 H2NCOHNH2+ urea, protonated ureah+  
1217 C2H5OO ethylperoxy radical c2h5oo  
1218 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1219 C3H5OH Cyclopropanol cproh  
1220 C3H6O 2-Propen-1-ol c107186  
1221 C3H6O Acetone enol enol  
1222 C3H6O Oxetane oxetane  
1223 C3H6O Propylene oxide prox  
1224 CH3CH2CHO Propanal propanal  
1225 CH3COCH3 Acetone acetone  
1226 CH3COCH3- acetone anion ch3coch3-  
1227 C3H6S Thietane thietane  
1228 C3H6S Thiirane, methyl- methiirane  
1229 CH3CSCH3 Thioacetone ch3csch3  
1230 C2H6O2 1,2-Ethanediol ethdiol  
1231 CH3OOCH3 dimethylperoxide dmp  
1232 CH3SOCH3 Dimethyl sulfoxide dmso  
1233 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1234 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1235 CH3COHCH3+ acetone, protonated acetoneh+  
1236 HOCH2CH2NH2 monoethanolamine mea  
1237 C3H7OH 1-Propanol proh  
1238 CH3CHOHCH3 Isopropyl alcohol isoproh  
1239 CH3OC2H5 Ethane, methoxy- etome  
1240 C3H7SH 1-Propanethiol prsh  
1241 CH3CHSHCH3 2-Propanethiol isoprsh  
1242 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1243 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1244 Li2F2 Lithium fluoride dimer li2f2  
1245 Na2F2 Sodium Fluoride Dimer na2f2  
1246 Na2Cl2 Disodium dichloride na2cl2  
1247 C2F2 difluoroacetylene c2f2  
1248 C2Cl2 dichloroacetylene c2cl2  
1249 C2Cl2+ dichloroacetylene cation c2cl2+  
1250 FNO2 Nitryl fluoride fno2  
1251 FONO Nitrosyl hypofluorite fono  
1252 ClNO2 Nitryl chloride clno2  
1253 ClONO chlorine nitrite clono  
1254 BrONO Bromine nitrite brono  
1255 N2F2 (Z)-Difluorodiazene n2f2_z  
1256 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1257 CF2O+ Carbonic difluoride cation f2co+  
1258 COFCl Carbonic chloride fluoride cofcl  
1259 CCl2O Phosgene cl2co  
1260 Cl2CS Thiophosgene cl2cs  
1261 COBr2 Carbonic dibromide cobr2  
1262 BF3- Borane, trifluoro- anion bf3-  
1263 BF3+ boron trifluoride cation bf3+  
1264 BClF2 Chlorodifluoroborane bclf2  
1265 AlF2Cl Aluminum chloride difluoride alclf2  
1266 ScF3 Scandium trifluoride ScF3  
1267 AlFCl2 Aluminum dichloride fluoride alcl2f  
1268 BCl3 Borane, trichloro- bcl3  
1269 BCl3+ Boron Trichloride cation bcl3+  
1270 GaF3 Gallium trifluoride gaf3  
1271 AlCl3 Aluminum trichloride alcl3  
1272 GaCl3 Gallium trichloride gacl3  
1273 BBr3 Boron tribromide bbr3  
1274 AlBr3 Aluminum Bromide albr3  
1275 ClO3 Chlorine trioxide clo3  
1276 ClO3- chlorate anion clo3-  
1277 BrO3- Bromate anion bro3-  
1278 CF3 Trifluoromethyl radical cf3  
1279 CF3- Trifluoromethyl anion cf3-  
1280 CF3+ Trifluoromethyl cation cf3+  
1281 CF2Cl difluorochloromethyl radical cf2cl  
1282 SiF3+ Silicon trifluoride cation sif3+  
1283 CFCl2 dichlorofluoromethyl radical cfcl2  
1284 CCl3 Trichloromethyl radical ccl3  
1285 CCl3- Trichloromethyl anion ccl3-  
1286 CCl3+ Trichloromethyl cation ccl3+  
1287 SiCl3 trichlorosilyl radical sicl3  
1288 SiCl3+ trichlorosilyl cation sicl3+  
1289 CBr3 tribromomethyl radical cbr3  
1290 FOOF Perfluoroperoxide foof  
1291 F2SO Thionyl Fluoride f2so  
1292 ClOOCl Dichlorine dioxide cloocl  
1293 FSSF Difluorodisulfane fssf  
1294 S2F2 Thio-thionyl fluoride s2f2  
1295 SOCl2 thionyl chloride socl2  
1296 SSCl2 Thiothionyl chloride sscl2  
1297 SeOCl2 selenium oxychloride seocl2  
1298 NF3 Nitrogen trifluoride nf3  
1299 NF3- Nitrogen trifluoride anion nf3-  
1300 NF3+ Nitrogen trifluoride cation nf3+  
1301 PF3 Phosphorus trifluoride pf3  
1302 NCl3 nitrogen trichloride ncl3  
1303 AsF3 Arsenic trifluoride asf3  
1304 PCl3 Phosphorus trichloride pcl3  
1305 SbF3 Antimony Trifluoride sbf3  
1306 AsCl3 Arsenous trichloride ascl3  
1307 SbCl3 Antimony Trichloride sbcl3  
1308 NBr3 Nitrogen Tribromide nbr3  
1309 PBr3 Phosphorus tribromide pbr3  
1310 AsBr3 Arsenic tribromide asbr3  
1311 NI3 Nitrogen triiodide ni3  
1312 PI3 Phosphorus triiodide pi3  
1313 ClSSCl Disulfur dichloride s2cl2  
1314 BrF3 Bromine trifluoride brf3  
1315 IF3 iodone trifluoride if3  
1316 CHF2Cl difluorochloromethane chf2cl  
1317 SiHF3 trifluorosilane sihf3  
1318 CHFCl2 fluorodichloromethane chfcl2  
1319 CDCl3 trichloromethane-d cdcl3  
1320 CHCl3 Chloroform chcl3  
1321 CHBrF2 Methane, bromodifluoro- chbrf2  
1322 SiHCl3 Trichlorosilane sihcl3  
1323 CHFClBr fluorochlorobromomethane chfclbr  
1324 CHBrCl2 Methane, bromodichloro- chbrcl2  
1325 CHF2I difluoroiodomethane chf2i  
1326 CHBr2F dibromofluoromethane chbr2f  
1327 CHFClI fluorochloroiodomethane chfcli  
1328 CHCl2I dichloroiodomethane chcl2i  
1329 CHClBr2 Methane, dibromochloro- chclbr2  
1330 CHBr3 bromoform chbr3  
1331 CHI3 Iodoform chi3  
1332 NF3H+ protonated nitrogen trifluoride nf3h+  
1333 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1334 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1335 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1336 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1337 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1338 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1339 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1340 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1341 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1342 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1343 C2H2Br2 1,1-dibromoethene c2h2br2  
1344 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1345 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1346 CH2FCHO Fluoroacetaldehyde ch2fcho  
1347 CH3COF Acetyl fluoride ch3cof  
1348 CH2ClCHO chloroacetaldehyde ch2clcho  
1349 CH3COCl Acetyl Chloride ch3cocl  
1350 C2H4F2 1,2-difluoroethane c2h4f2  
1351 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1352 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1353 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1354 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1355 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1356 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1357 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1358 CH2CFCH3 2-fluoropropene 2fpro  
1359 CH2CHCH2F Allyl Fluoride allylf  
1360 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1361 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1362 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1363 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1364 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1365 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1366 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1367 CH2FCH2CH3 1-Fluoropropane prf1  
1368 CH3CHFCH3 2-Fluoropropane prf2  
1369 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1370 CH3CHClCH3 Propane, 2-chloro- prcl2  
1371 CH3CH2CH2Br n-propyl bromide prbr  
1372 CH3CHBrCH3 i-propyl bromide iprbr  
1373 C3H9O+ trimethyl oxonium cation c3h9o+  
1374 B5H9 pentaborane9 b5h9  
1375 C5H4 pentatetraene ptrene  
1376 C5H5 cyclopentadienyl radical c5h5  
1377 C5H5- cylopentadienyl anion c5h5-  
1378 C5H6 1,3-Cyclopentadiene c542927  
1379 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1380 C5H6 3-Penten-1-yne, (E)- c2004695  
1381 C5H6 3-Penten-1-yne, (Z)- c1574409  
1382 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1383 C5H6 Cyclopropylacetylene c6746947  
1384 C5H6 Propellane propellane  
1385 C5H7 1,3-pentadienyl radical pdyl  
1386 C5H7 cyclopentenyl radical cpyl  
1387 C5H8 1,2-Butadiene, 3-methyl- c598254  
1388 C5H8 1,2-Pentadiene c591957  
1389 C5H8 1,3-Butadiene, 2-methyl- c78795  
1390 C5H8 1,3-Pentadiene, (E)- c2004708  
1391 C5H8 1,3-Pentadiene, (Z)- c1574410  
1392 C5H8 1,4-Pentadiene c591935  
1393 C5H8 1-pentyne a1pentyne  
1394 C5H8 2,3-Pentadiene c591968  
1395 C5H8 Bicyclo[1.1.1]pentane bcp  
1396 C5H8 Cyclobutane, methylene- c1120565  
1397 C5H8 Cyclopentene c142290  
1398 C5H8 Ethenylcyclopropane c693867  
1399 CH3CCCH2CH3 2-Pentyne 2pentyne  
1400 C5H10 1-Butene, 2-methyl- c563462  
1401 C5H10 2-Butene, 2-methyl- c513359  
1402 C5H10 2-Pentene, (E)- c646048  
1403 C5H10 2-Pentene, (Z)- c627203  
1404 C5H10 Cyclopentane c287923  
1405 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1406 CH2CHCH2CH2CH3 1-pentene pentene  
1407 C5H11 2-Methylbut-2-yl radical c4348350  
1408 C5H12 Butane, 2-methyl- buta2  
1409 C5H12 Pentane pentane  
1410 C5H12 Propane, 2,2-dimethyl- neopentane  
1411 Si(CH3)4 tetramethylsilane tms  
1412 N2O3 Dinitrogen trioxide n2o3  
1413 C3H2N2 Malononitrile c3h2n2  
1414 CH2N4 1H-Tetrazole 1htz  
1415 C3H3N2 imidazolyl radical im  
1416 C3H3N2- imidizolyl anion im-  
1417 C2H3N3 1H-1,2,4-Triazole c288880  
1418 C4H4N pyrrolide radical c4h4n  
1419 C4H4N- pyrrolide anion c4h4n-  
1420 C3H4N2 1H-Imidazole 1himidaz  
1421 C3H4N2 1H-Pyrazole 1hpyraz  
1422 C3H4N2 2H-Imidazole imid2h  
1423 C3H4N2 4H-Imidazole imid4h  
1424 C4H5N (E)-2-Butenenitrile c627269  
1425 C4H5N (Z)-2-Butenenitrile c1190767  
1426 C4H5N 2H-pyrrole pyrrole2  
1427 C4H5N 3H-pyrrole pyrrole3  
1428 C4H5N Cyclopropanecarbonitrile c5500210  
1429 C4H5N Pyrrole pyrrole  
1430 CH2CHCH2CN Allylcyanide ch2chch2cn  
1431 C4H6N+ pyrrole, alpha-protonated appyr  
1432 C4H6N+ pyrrole, beta-protonated bppyr  
1433 C4H6N+ pyrrole, protonated ppyr  
1434 C3H6N2 3-Aminopropionitrile c151188  
1435 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1436 CH3CH2CH2CN Butanenitrile c109740  
1437 C5H8 Bicyclo[2.1.0]pentane c185944  
1438 C5H8 Spiropentane c157404  
1439 C4H9N Cyclobutylamine cbam  
1440 C4H9N Pyrrolidine pyrrolidine  
1441 C3H10N2 1,2-Diaminopropane diampr12  
1442 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1443 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1444 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1445 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1446 NH(C2H5)2 diethylamine dea  
1447 NC4H12+ tetramethyl ammonium cation nc4h12+  
1448 C3O2 Carbon suboxide c3o2  
1449 C3O2+ Carbon suboxide cation c3o2+  
1450 B2O3 diboron trioxide b2o3  
1451 MgCO3 Magnesium Carbonate mgco3  
1452 BeCO3 Beryllium Carbonate beco3  
1453 CaCO3 Calcium Carbonate caco3  
1454 ONONO Nitrosyl nitrite onono  
1455 PO4--- phosphate po4---  
1456 SO4-- sulfate so4--  
1457 HOONO2 peroxy nitric acid hoono2  
1458 HSO4- bisulfate anion hso4-  
1459 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1460 C3H2O2 Propiolic acid c3h2o2  
1461 CHOCOOH oxo acetic acid oaa  
1462 CHOOCHO diformyl ether choocho  
1463 H2SO4 Sulfuric acid h2so4  
1464 H2SeO4 Selenic acid h2seo4  
1465 C3H3NO Isoxazole isox  
1466 C3H3NO Oxazole oxazole  
1467 C3H3NS Thiazole thiazole  
1468 CH3C(O)OO acetyl peroxy radical ch3coo2  
1469 CH3NO3 Methyl nitrate ch3no3  
1470 H3PO4 Phosphoric Acid h3po4  
1471 C4H4O Furan furan  
1472 C4H4O+ Furan cation furan+  
1473 CH3COCCH 3-butyn-2-one c1423605  
1474 C4H4S Thiophene furans  
1475 C4H4Se selenophene c4h4se  
1476 C3H4O2 β–Propiolactone beta  
1477 C3H4O2 2-Propenoic acid propenoic2  
1478 C3H4O2 Methyl glyoxal megly  
1479 C3H4O2 propanedial propanedial  
1480 C3H4O2 propenalol propenalol  
1481 HOCHCCHOH allenediol aldiol  
1482 C2H4O3 1,2,3-trioxolane c2h4o3  
1483 C2H4O3 trioxolane124 triox  
1484 HOCH2COOH Hydroxyacetic acid hac  
1485 CH2CHCONH2 Acrylamide c79061  
1486 CH3OCH2CN Methoxyacetonitrile c1738369  
1487 CH5N3S Hydrazinecarbothioamide c79196  
1488 H2NCH2COOH Glycine glycine  
1489 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1490 C4H6O cis-2-butenal butenal2c  
1491 C4H6O Cyclobutanone cbutone  
1492 C4H6O Furan, 2,3-dihydro- furan23h  
1493 C4H6O Furan, 2,5-dihydro- furan25h  
1494 CH2CHOCHCH2 Vinyl ether vinylether  
1495 CHOCHCHCH3 2-Butenal butenal2  
1496 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1497 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1498 CH2CHSCHCH2 Divinyl sulfide divis  
1499 C2H6N2O Urea, methyl- c598505  
1500 C3H6O2 1,3-Dioxolane dioxolane  
1501 CH3CH2COOH Propanoic Acid propanoic  
1502 CH3COOCH3 methyl acetate aame  
1503 HCOOC2H5 Ethyl formate faee  
1504 C2H6O2S Dimethyl sulfone c67710  
1505 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1506 C3H7NO dimethylformamide dmf  
1507 C3H7NO Propanamide propanam  
1508 C2H3OC2H5 Ethene, ethoxy- c109922  
1509 C4H8O Cyclobutanol c2919235  
1510 C4H8O Furan, tetrahydro- thf  
1511 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1512 CH3COCH2CH3 2-Butanone buta2one  
1513 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1514 CHOCH2CH2CH3 Butanal butanal  
1515 C4H8S Thiophene, tetrahydro- tht  
1516 C3H8O2 1,3-Propanediol c504632  
1517 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1518 C3H8O2 Methane, dimethoxy- c109875  
1519 C3H8O2 Propylene glycol c57556  
1520 C3H8S2 1,3-Propanedithiol c109808  
1521 C4H10O 1-Butanol butanol1  
1522 C4H10O 1-Propanol, 2-methyl- c78831  
1523 C4H10O 2-Butanol, (.+/-.)- butanol2  
1524 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1525 C4H10O Ethoxy ethane etoet  
1526 C4H10O Methyl propyl ether meopr  
1527 C4H10O Propane, 2-methoxy- c598538  
1528 C4H10O+ 1-Butanol cation butanol1+  
1529 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1530 C2H5SC2H5 Diethyl sulfide etset  
1531 C4H9SH 1-Butanethiol bush  
1532 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1533 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1534 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1535 FNO3 Fluorine nitrate fno3  
1536 ClONO2 Chlorine nitrate clono2  
1537 BrONO2 Bromine nitrate brono2  
1538 TiCl4 Titanium tetrachloride ticl4  
1539 ClO4- perchlorate anion clo4-  
1540 BF4- tetrafluoroboron anion bf4-  
1541 ClFO3 Perchloryl fluoride clfo3  
1542 SO2F2 Sulfuryl fluoride so2f2  
1543 SO2Cl2 Sulfuryl chloride so2cl2  
1544 F3NO Nitrogen trifluoride oxide f3no  
1545 F3PO Phosphoryl fluoride pf3o  
1546 Cl3PO Phosphoryl chloride pcl3o  
1547 CF4 Carbon tetrafluoride cf4  
1548 SiF4 Silicon tetrafluoride sif4  
1549 TiF4 Titanium tetrafluoride tif4  
1550 CFCl3 Trichloromonofluoromethane cfcl3  
1551 CF3Br Bromotrifluoromethane cf3br  
1552 GeF4 Germanium tetrafluoride gef4  
1553 CCl4 Carbon tetrachloride ccl4  
1554 CCl4+ Carbon tetrachloride cation ccl4+  
1555 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1556 SiCl4 Silane, tetrachloro- sicl4  
1557 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1558 CF3I trifluoroiodomethane cf3i  
1559 CBrCl3 Methane, bromotrichloro- cbrcl3  
1560 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1561 GeCl4 Germanium Tetrachloride gecl4  
1562 CBr2ClF dibromochlorofluoromethane cbr2clf  
1563 CBr2Cl2 dibromodichloromethane cbr2cl2  
1564 CCl3I trichloroiodomethane ccl3i  
1565 CFBr3 fluorotribromomethane cfbr3  
1566 CFClBrI fluorochlorobromoiodomethane cfclbri  
1567 CBr3Cl tribromochloromethane cbr3cl  
1568 CF2I2 difluorodiiodomethane cf2i2  
1569 CBr4 Carbon tetrabromide cbr4  
1570 CCl2I2 dichlorodiiodomethane ccl2i2  
1571 SiBr4 Silicon tetrabromide sibr4  
1572 CBr3I tribromoiododmethane cbr3i  
1573 GeBr4 Germanium tetrabromide gebr4  
1574 CI4 tetraiodomethane ci4  
1575 SiI4 silicon tetraiodide sii4  
1576 ClOF3 Chlorine trifluoride oxide clof3  
1577 SeF4 Selenium tetrafluoride sef4  
1578 SCl4 Sulfur tetrachloride scl4  
1579 C2HF3 Trifluoroethylene c2hf3  
1580 C2HF3+ Trifluoroethylene cation c2hf3+  
1581 CHClCCl2 Trichloroethylene chclccl2  
1582 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1583 HSO3F Fluorosulfonic acid hso3f  
1584 CF3OH trifluoromethanol cf3oh  
1585 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1586 CHClCCHCl 1,3-dichloroallene chclcchcl  
1587 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1588 CHCl2CHO dichloroacetaldehyde chcl2cho  
1589 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1590 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1591 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1592 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1593 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1594 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1595 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1596 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1597 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1598 NH3BCl3 Amminetrichloroboron nh3bcl3  
1599 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1600 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1601 C3H5ClO Oxirane, (chloromethyl)- c106898  
1602 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1603 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1604 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1605 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1606 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1607 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1608 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1609 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1610 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1611 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1612 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1613 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1614 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1615 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1616 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1617 C4H9F 1-fluorobutane butaf1  
1618 CH3CHFCH2CH3 2-fluorobutane butaf2  
1619 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1620 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1621 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1622 XeF4 Xenon tetrafluoride xef4  
1623 C2H2N2O Furazan furazan  
1624 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1625 NH3BF3 Amminetrifluoroboron nh3bf3  
1626 C6H2 hexatriyne c6h2  
1627 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1628 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1629 C6H4 Benzyne benzyne  
1630 C6H5 phenyl phenyl  
1631 C6H5- phenyl anion phenyl-  
1632 C6H6 Prismane prismane  
1633 C6H6 1,2,4,5-Hexatetraene ht1245  
1634 C6H6 2,4-Hexadiyne hexadiyne  
1635 C6H6 3,4-Dimethylenecyclobutene cb34m  
1636 C6H6 Benzene benzene  
1637 C6H6 Benzvalene bv  
1638 C6H6 Dewar Benzene dewar  
1639 C6H6 Hexa-1,5-diene-3-yne hdy153  
1640 C6H6 Trimethylenecycopropane tmcp  
1641 C6H6+ Benzene cation c6h6+  
1642 C6H7+ benzene, protonated c6h7+  
1643 C6H8 (E)-hexa-1,3,5-triene c821078  
1644 C6H8 (E)-hexa-2,3,4-triene c59660650  
1645 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1646 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1647 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1648 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1649 C6H8 3-Methylenecyclopentene c930267  
1650 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1651 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1652 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1653 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1654 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1655 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1656 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1657 C6H10 1,5-Hexadiene c592427  
1658 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1659 C6H10 1-Hexyne hexyne1  
1660 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1661 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1662 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1663 C6H10 2-Hexyne c764352  
1664 C6H10 3-Hexyne hexyne3  
1665 C6H10 cyclohexene cyclohexene  
1666 C6H10 Cyclopentene, 1-methyl- c693890  
1667 C6H10 Cyclopentene, 3-methyl- c1120623  
1668 C6H10 Cyclopentene, 4-methyl- c1759815  
1669 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1670 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1671 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1672 C6H12 (E)-2-Hexene e2hexene  
1673 C6H12 (E)-3-methylpent-2-ene c616126  
1674 C6H12 (E)-hex-3-ene e3hexene  
1675 C6H12 (Z)-3-methylpent-2-ene c922623  
1676 C6H12 (Z)-hex-2-ene z2hexene  
1677 C6H12 (Z)-hex-3-ene z3hexene  
1678 C6H12 2,3-dimethylbut-1-ene c563780  
1679 C6H12 2,3-dimethyl-but-2-ene tmeet  
1680 C6H12 3-methylenepentane c760214  
1681 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1682 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1683 C6H12 Cyclohexane cyclohexane  
1684 C6H12 Cyclopentane, methyl- c96377  
1685 C6H12 Ethylcyclobutane c4806615  
1686 C6H12 hex-1-ene hexene1  
1687 C6H14 Butane, 2,2-dimethyl- buta22  
1688 C6H14 Butane, 2,3-dimethyl- buta23  
1689 C6H14 Hexane hexane  
1690 C6H14 Pentane, 2-methyl- penta2  
1691 C6H14 Pentane, 3-methyl- penta3  
1692 C4N2 2-Butynedinitrile c4n2  
1693 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1694 C4H2N2 Fumaronitrile c4h2n2  
1695 C2H2N4 sym-tetrazine ttz  
1696 C3H3N3 1,3,5-Triazine triazine135  
1697 CH3N5 5-Aminotetrazole c4418615  
1698 C4H4N2 1,3-Diazine diazine13  
1699 C4H4N2 Pyrazine pyrazine  
1700 C4H4N2 Pyridazine pyridazine  
1701 C4H4N2 Succinonitrile c110612  
1702 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1703 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1704 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1705 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1706 C5H5N E-2,4-pentadienenitrile bdcn  
1707 C5H5N Pyridine pyridine  
1708 B3N3H6 borazine borazine  
1709 C6H6 Fulvene fulvene  
1710 C5H6N+ Pyridinium c5h6n  
1711 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1712 C5H7N (E)-2-Pentenenitrile c26294984  
1713 C5H7N (E)-3-Pentenenitrile c16529661  
1714 C5H7N (Z)-2-Pentenenitrile c25899507  
1715 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1716 C5H7N Cyclobutanecarbonitrile c4426113  
1717 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1718 C5H9N Butanenitrile, 2-methyl- c18936179  
1719 C5H9N Pentanenitrile c110598  
1720 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1721 C6H10 Bicyclo[3.1.0]hexane c285585  
1722 C5H11N Cyclopentanamine cypentam  
1723 C5H11N Piperidine piper  
1724 C4H12N2 1,2-Butanediamine c4426486  
1725 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1726 Li2CO3 Lithium Carbonate li2co3  
1727 Na2CO3 Sodium Carbonate na2co3  
1728 C2O4-- oxalate anion c2o4  
1729 MgSO4 Magnesium Sulfate mgso4  
1730 N2O4 Dinitrogen tetroxide n2o4  
1731 C3H2O3 vinylene carbonate vica  
1732 C2H2O4 Oxalic Acid oxalic  
1733 C2H3NO3 Oxamic acid oxamic  
1734 C4H4O2 2(5H)-Furanone furanone  
1735 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1736 C2H4N2O2 Oxalamide oxalamide  
1737 C2H4N2S2 Ethanedithioamide c79403  
1738 C2H4CO3 Ethylene carbonate etco3  
1739 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1740 C3H4S3 1,3-Dithiolane-2-thione c822388  
1741 C2H4O4 Formic acid dimer fadimer  
1742 C4H5NO 3-Methylisoxazole isox3m  
1743 C4H5NO Isoxazole, 5-methyl- c5765446  
1744 C4H5NS 4-Methylthiazole c693958  
1745 C2H5NO3 Nitric acid, ethyl ester c625581  
1746 C5H6O 2H-Pyran pyran2  
1747 C5H6O 2-methylfuran furan2m  
1748 C5H6O 3-Methylfuran furan3m  
1749 C5H6O Pentadienal pdal  
1750 C5H6S Thiophene, 2-methyl- c554143  
1751 C5H6S Thiophene, 3-methyl- c616444  
1752 C4H6O2 γ–Butyrolactone c96480  
1753 C4H6O2 2,3-Butanedione c431038  
1754 C4H6O2 2-Propenoic acid, methyl ester c96333  
1755 C4H6O2 Crotonic Acid crot  
1756 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1757 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1758 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1759 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1760 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1761 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1762 C4H6OS Vinyl sulfoxide c1115157  
1763 CH6N4S Carbonothioic dihydrazide thiacarb  
1764 C2H6N2O2 (E)-Azodioxymethane c37765154  
1765 C2H6N2O2 Dimethylnitroamine c4164287  
1766 C3H6O3 1,3,5-Trioxane trioxane  
1767 C3H6S3 1,3,5-Trithiane c3h6s3  
1768 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1769 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1770 C4H7NO 2-Pyrrolidinone c616455  
1771 C4H7NO Ethoxyacetonitrile etoaccn  
1772 C4H7NO Methacrylamide c79390  
1773 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1774 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1775 C3H7ONO Propyl nitrite prono  
1776 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1777 CH3CH(NH2)COOH Alanine alanine  
1778 CH3NHCH2COOH Sarcosine sarcosine  
1779 NH2CH2CH2COOH β–alanine betaalanine  
1780 NH2COOC2H5 Urethane urethane  
1781 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1782 C5H8O Cyclopentanone c120923  
1783 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1784 C5H8O Methyl cyclopropyl ketone c765435  
1785 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1786 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1787 NH2CONHC2H5 Urea, ethyl- c625525  
1788 C4H8O2 1,3-Dioxane dioxan13  
1789 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1790 C4H8O2 1,4-Dioxane dioxan14  
1791 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1792 C4H8O2 Ethyl acetate c141786  
1793 C4H8OS s-Ethyl thioacetate c625605  
1794 C3H8O3 1,2,3-Propanetriol glycerin  
1795 C3H8O2S (Methylsulfonyl)ethane c594434  
1796 C4H9NO Butanamide c541355  
1797 C4H9NO Propanamide, 2-methyl- c563837  
1798 C5H10O 2-Butanone, 3-methyl- c563804  
1799 C5H10O 2H-Pyran, tetrahydro- c142687  
1800 C5H10O 2-methylbutyraldehyde 2meba  
1801 C5H10O 2-Pentanone mpk  
1802 C5H10O 3-Pentanone dek  
1803 C5H10O Cyclopentanol c96413  
1804 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1805 C5H10O Pentanal pal  
1806 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1807 C5H10S 3-Ethylthio-1-propene c5296628  
1808 C5H10S Cyclopentanethiol c1679078  
1809 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1810 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1811 C4H10O2 1,1-Dimethoxyethane c534156  
1812 C4H10O2 1,3-Butanediol budiol13  
1813 C4H10O2 1,4-Butanediol budiol14  
1814 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1815 C4H10OS Diethyl sulfoxide c70291  
1816 C4H10S2 1,4-Butanedithiol budisl14  
1817 C4H11NO Diethylhydroxylamine c3710847  
1818 C5H12O 1-Butanol, 2-methyl- c137326  
1819 C5H12O 1-Butanol, 3-methyl- c123513  
1820 C5H12O 1-Pentanol pentanol1  
1821 C5H12O 2-Butanol, 3-methyl- c598754  
1822 C5H12O 2-Pentanol peol2  
1823 C5H12O 3-Pentanol pentan3ol  
1824 C5H12O Butane, 1-methoxy- meobu  
1825 C5H12O Propane, 1-ethoxy- proet  
1826 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1827 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1828 C5H12S 1-Butanethiol, 3-methyl- c541311  
1829 C5H12S 1-Pentanethiol c110667  
1830 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1831 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1832 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1833 C5H12S Butane, 1-(methylthio)- c628295  
1834 C5H12S Ethyl propyl sulfide c4110503  
1835 C5H12S Propane, 2-(ethylthio)- c5145993  
1836 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1837 C4F2 difluorobutadiyne c4f2  
1838 ClCOClCO Oxalyl chloride oxcl  
1839 CF3CN Acetonitrile, trifluoro- cf3cn  
1840 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1841 B2F4 Diboron tetrafluoride b2f4  
1842 B2Cl4 Diboron tetrachloride b2cl4  
1843 C2F4 Tetrafluoroethylene c2f4  
1844 C2F4+ Tetrafluoroethylene cation c2f4+  
1845 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1846 CF2CCl2 difluorodichloroethylene cf2ccl2  
1847 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1848 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1849 C2FCl3 fluorotrichloroethene c2fcl3  
1850 C2Cl4 Tetrachloroethylene c2cl4  
1851 C2Br4 tetrabromoethene c2br4  
1852 CF3OF Trifluoromethylhypofluorite cf3of  
1853 SOF4 Sulfur tetrafluoride oxide sof4  
1854 AsF5 Arsenic pentafluoride asf5  
1855 PCl5 Phosphorus pentachloride pcl5  
1856 SF5 Sulfur pentafluoride sf5  
1857 SF5+ pentafluoro sulfur cation sf5+  
1858 SbCl5 Antimony pentachloride sbcl5  
1859 BrF5 bromine pentafluoride brf5  
1860 ClF5 chlorinepentafluoride clf5  
1861 IF5 pentafluoroiodine if5  
1862 CF3CHO trifluoroacetaldehyde cf3cho  
1863 CCl3CHO trichloroacetaldehyde ccl3cho  
1864 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1865 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1866 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1867 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1868 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1869 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1870 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1871 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1872 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1873 CF3COOH trifluoroacetic acid cf3cooh  
1874 C4H3ClO Furan, 2-chloro fur2cl  
1875 C4H3ClO Furan,3-chloro fur3cl  
1876 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1877 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1878 C4H8Cl2 1,4-Dichlorobutane c110565  
1879 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1880 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1881 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1882 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1883 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1884 C5H11Cl Pentane, 1-chloro- pencl1  
1885 C4H8O2 Butanoic acid bua  
1886 C6H5CH2 benzyl radical benzyl  
1887 C7H7 cycloheptatrienyl radical c7h7  
1888 C7H7+ cycloheptatrienyl cation c7h7+  
1889 C6H5CH3 toluene toluene  
1890 C7H8 cycloheptatriene cht  
1891 C7H8 Norbornadiene norbor  
1892 C7H8 Quadricyclane qucy  
1893 C7H12 Norbornane nor  
1894 C7H14 cycloheptane c7h14  
1895 C7H16 2-methylhexane 2mhex  
1896 C7H16 3-methylhexane hex3m  
1897 C7H16 heptane heptane  
1898 CH(CN)3 tricyanomethane mecn3  
1899 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1900 C6H7N 2-Methylpyridine mp  
1901 C6H5NH2 aniline aniline  
1902 C6H13N 2-Methylpiperidine pip2m  
1903 C6H13N cyclohexanamine cham  
1904 C6H15N triethylamine tea  
1905 N2O5 Dinitrogen pentoxide n2o5  
1906 C4H2O3 Maleic Anhydride malan  
1907 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1908 C5H4O2 furfural furfural  
1909 C6H5O phenoxy radical phenoxy  
1910 C5H5NO 2(1H)-Pyridinone c72762006  
1911 C5H5NO 2(3H)-Pyridinone c9000048  
1912 C5H5NO 2(5H)-Pyridinone c9000037  
1913 C5H5NO 2-Pyridinol c109104  
1914 C5H5NO 3(2H)-Pyridinone c9000004  
1915 C5H5NO 3(4H)-Pyridinone c9000026  
1916 C5H5NO 3(6H)-Pyridinone c9000015  
1917 C5H5NO 3-Pyridinol c109002  
1918 C5H5NO 4(1H)-Pryidinone c9000060  
1919 C5H5NO 4(3H)-Pryidinone c9000059  
1920 C5H5NO 4-Pyridinol c626642  
1921 C6H5OH phenol phenol  
1922 C6H6O 2,4-Cyclohexadienone c24599573  
1923 C6H6O 2,5-Cyclohexadienone c5664335  
1924 C6H5SH Benzenethiol phsh  
1925 HO2CCHNH2CH2OH Serine serine  
1926 C5H8O2 Acetylacetone acac  
1927 C4H8O2S Sulfolane sulfolane  
1928 C7H10 Norbornene norbornene  
1929 CH(C2H3)3 trivinyl methane tvm  
1930 C6H10O cyclohexanone chexo  
1931 C6H12O hexanal c6h12o  
1932 C6H12O Oxepane oxepane  
1933 C3H7OC3H7 di-n-propyl ether propr  
1934 F2CCCF2 tetrafluoroallene pfa  
1935 CF3COO- trifluoro acetate anion cf3coo-  
1936 CF3COF trifluoroacetyl fluoride cf3cof  
1937 CF3COCl trifluoroacetyl chloride cf3cocl  
1938 PF6 Hexafluorophosphate neutral pf6  
1939 PF6- Hexafluorophosphate ion pf6-  
1940 SF6 Sulfur Hexafluoride sf6  
1941 SeF6 Selenium hexafluoride sef6  
1942 SF5Cl sulfur chloropentafluoride sf5cl  
1943 CF3CHF2 pentafluoroethane cf3chf2  
1944 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1945 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1946 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1947 CCl3CHCl2 pentachloroethane ccl3chcl2  
1948 C6H5F Fluorobenzene bzf  
1949 C6H5Cl chlorobenzene bzcl  
1950 C6H5Br bromobenzene bzbr  
1951 C8H6 Calicene calicene  
1952 C6H5CCH phenylacetylene phac  
1953 C8H6 benzocyclobutadiene bcbd  
1954 C8H6 Pentalene pentalene  
1955 C6H5CHCH2 Styrene styrene  
1956 C8H8 cubane cubane  
1957 C8H8 cyclooctatetraene cot  
1958 C6H5CH2CH3 Ethylbenzene etbz  
1959 CH3C6H4CH3 meta-xylene mxylene  
1960 CH3C6H4CH3 paraxylene pxylene  
1961 C8H14 Bicyclo[2.2.2]octane bico222  
1962 C8H16 cyclooctane cyclooct  
1963 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1964 C8H18 Octane c8h18  
1965 C6H5CN phenyl cyanide phcn  
1966 C6H12N2 Triethylenediamine ted  
1967 C4O4-- squarate dianion c4o4--  
1968 S4N4 Tetrasulfur tetranitride s4n4  
1969 S8 Octasulfur s8  
1970 C6H4O2 parabenzoquinone pbq  
1971 C4H4N2O2 Uracil uracil  
1972 C6H5CHO benzaldehyde benzal  
1973 C6H5OCH3 Anisole anisole  
1974 C5H9NO2 Proline proline  
1975 C6H12O2 Methyl pivalate c598981  
1976 C6H12O2 Hexanoic acid hexa  
1977 C4F4 tetrafluorcyclobutadiene c4f4  
1978 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
1979 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1980 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1981 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1982 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1983 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1984 C2F6 hexafluoroethane c2f6  
1985 C2Cl6 hexachloroethane c2cl6  
1986 IF7 Iodine heptafluoride if7  
1987 C6H4F2 metadifluorobenzene mdfb  
1988 C6H4F2 orthodifluorobenzene odfb  
1989 C6H4F2 1,4-difluorobenzene pdfb  
1990 C6H4Cl2 1,2-dichlorobenzene dcb12  
1991 C6H4Cl2 1,3-dichlorobenzene dcb13  
1992 C6H4Cl2 1,4-dichlorobenzene dcb14  
1993 C6H5NO nitrosobenzene bzno  
1994 C9H8 Indene indene  
1995 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1996 C9H12 n-propyl benzene prbz  
1997 C9H20 Nonane nonane  
1998 C(CN)4 tetracyanomethane c5n4  
1999 C5H4N4 purine purine  
2000 C8H7N Indole indole  
2001 C3H3N3O3 cyanuric acid cyanuric  
2002 C6H5NO2 Nitrobenzene c6h5no2  
2003 C6H5COOH benzoic acid benzo  
2004 CH3COC6H5 acetophenone acph  
2005 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2006 C3F6 hexafluoropropene c3f6  
2007 C6H3F3 Benzene trifluoride 123 bzf3a  
2008 C8H18O 1-Octanol octanol  
2009 C10H8 Azulene azu  
2010 C10H8 naphthalene naph  
2011 C10H10 bullvalene bullv  
2012 C10H16 adamantane adamantane  
2013 C6N4 Tetracyanoethylene tcne  
2014 C6N4- tetracyanoethylene anion tcne-  
2015 C10H22 Decane decane  
2016 C4F6 perfluorobutadiene c4f6  
2017 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2018 C3F8 perfluoropropane c3f8  
2019 Fe(CO)5 Iron pentacarbonyl ipc  
2020 Fe(C5H5)2 ferrocene fecp2  
2021 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2022 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2023 C12H8 Acenaphthylene acenaph  
2024 C12H8 biphenylene biph  
2025 C12H10 biphenyl biphenyl  
2026 C12H10 Heptalene heptalene  
2027 C6H12O6 Inositol inositol  
2028 C6F6 hexafluorobenzene c6f6  
2029 S2F10 disulphur decafluoride s2f10  
2030 C13H10 Fluorene fluorene  
2031 C14H10 Anthracene anth  
2032 C14H10 Phenanthrene phenanthrene  
2033 C14H14 Bibenzyl bibenzyl  
2034 C12H10N2 azobenzene azobenzene  
2035 C6H5COC6H5 benzophenone benzophenone  
2036 C16H10 Pyrene pyrene  
2037 C18H12 Tetracene tetracene  
2038 C19H16 Triphenylmethane tpm  
2039 C24H12 Coronene coronene  
2040 C60 Buckminsterfullerene c60