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Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
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III.F.1. (I.A.4.)

List of which calculations are completed at CCSD(T) /aug-cc-pV(T+d)Z

Jump to calculations not yet done
count Species Name State Conformation
1 Si Silicon atom 3PKh
2 SiH2 silicon dihydride 1A1C2v
3 SiH2 silicon dihydride 3B1C2v
4 SiH3 Silyl radical 2A1C3v
5 SiH4 Silane 1A1Td
6 P Phosphorus atom 4SKh
7 PH3 Phosphine 1A1C3v
8 PH4+ phosphonium cation   
9 S Sulfur atom 3PKh
10 HS Mercapto radical 2ΠC∞v
11 H2S Hydrogen sulfide 1A1C2v
12 H2S+ Hydrogen sulfide cation 2B1C2v
13 H3S+ Sulfonium cation 1A1C3v
14 Cl Chlorine atom 2PKh
15 HCl Hydrogen chloride 1ΣC∞v
16 BAl Boron Aluminum 3ΣC∞v
17 AlC Aluminum carbide 4ΣC∞v
18 SiC silicon monocarbide 3ΣC∞v
19 SiC silicon monocarbide 1ΣC∞v
20 Si2H6 disilane 1EuD3d
21 P2 Phosphorus diatomic 1ΣgD∞h
22 CH2PH Phosphaethene 1A'Cs
23 LiS Lithium monosulfide 2ΠC∞v
24 LiS+ Lithium sulfide cation 3ΣC∞v
25 NaS Sodium sulfide 2ΠC∞v
26 SiO Silicon monoxide 1ΣC∞v
27 SiS silicon monosulfide 1ΣC∞v
28 GeO Germanium monoxide 1ΣC∞v
29 NS Mononitrogen monosulfide 2ΠC∞v
30 PO Phosphorus monoxide 2ΠC∞v
31 PS phosphorus sulfide 2ΣC∞v
32 SO Sulfur monoxide 3ΣC∞v
33 SO Sulfur monoxide 1ΣC∞v
34 S2 Sulfur diatomic 3ΣgD∞h
35 S2+ sulfur diatomic cation 2ΠD∞h
36 HBS hydrogen boron sulfide 1ΣC∞v
37 H2CS Thioformaldehyde 1A1C2v
38 H2S2 Disulfane 1AC2
39 H2S2+ hydrogen disulfide cation 2BgC2h
40 H3PO Phosphine oxide 1A1C3v
41 CH3SH Methanethiol 1A'Cs
42 CH3SH2+ protonated methylsulfide 1A'Cs
43 LiCl lithium chloride 1ΣC∞v
44 AlF Aluminum monofluoride 1Σ+C∞v
45 AlCl Aluminum monochloride 1ΣC∞v
46 GeCl+ Germanium monochloride cation   
47 NCl nitrogen monochloride 3ΣC∞v
48 SF Monosulfur monofluoride 2ΠC∞v
49 SCl sulfur monochloride 2ΠC∞v
50 SCl+ sulfur monochloride cation 3ΣgC∞v
51 Cl2- chlorine diatomic anion 2ΣuD∞h
52 Cl2+ chlorine diatomic cation 2ΠgD∞h
53 CH3Cl Methyl chloride 1A1C3v
54 SiH3F monofluorosilane 1A1C3v
55 SiH3Cl chlorosilane 1A1C1
56 Si3H8 trisilane   
57 Li2S dilithium sulfide 1ΣGD∞h
58 Li2S dilithium sulfide 1A1C2v
59 Na2S Sodium sulfide   
60 Na2S Sodium sulfide   
61 NNS Nitrogen sulfide 1ΣC∞v
62 OCS Carbonyl sulfide 1ΣC∞v
63 SO2 Sulfur dioxide 1A1C2v
64 S3 Sulfur trimer 1A1C2v
65 S3+ Sulfur trimer cation 2B2C2v
66 CH2CS Thioketene   
67 HSSSH trisulfane 1AC2
68 HSSSH trisulfane 1A'Cs
69 ClNO Nitrosyl chloride 1A'Cs
70 OPCl Phosphorus oxychloride   
71 SiF2 Silicon difluoride 1A1C2v
72 OClO Chlorine dioxide 2B1D∞h
73 ClSO Sulfur chloride oxide 2A"Cs
74 FClO chlorosyl fluoride 1A'Cs
75 ClOF Chlorine hypofluorite 1A'Cs
76 SF2 sulfur difluoride 1A1C2v
77 SCl2 Sulfur dichloride 1A1C2v
78 SiH2F2 difluorosilane   
79 SiH2Cl2 dichlorosilane 1A1C2v
80 S2N2 Disulfur dinitride 1AGD2h
81 SO3 Sulfur trioxide 1A1'D3h
82 ClO2F Chloryl fluoride 1A'Cs
83 F2SO Thionyl Fluoride 1A'Cs
84 ClF3 Chlorine trifluoride 1A1C2v
85 SiHF3 trifluorosilane   
86 SiH3CCl3 (trichloromethyl)silane 1A1C3v
87 SiF5- silicon pentafluoride anion   
88 SF5Cl sulfur chloropentafluoride 1A1C4v
89 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- 1AGD2h

Species NOT done yet
count Species Name file name problem
1 D Deuterium atom d  
2 D- Deuterium atom anion d-  
3 D+ Deuterium atom cation d+  
4 H Hydrogen atom h  
5 H- Hydrogen atom anion h-  
6 H+ Hydrogen atom cation h+  
7 D2 Deuterium diatomic d2  
8 H2 Hydrogen diatomic h2  
9 H2- hydrogen diatomic anion h2-  
10 H2+ Hydrogen cation h2+  
11 HD Deuterium hydride hd  
12 H3+ hydrogen trimer cation h3+  
13 He Helium atom he  
14 He- Helium atom anion he-  
15 He+ Helium atom cation he+  
16 HeH Helium hydride heh  
17 HeH+ Helium hydride cation heh+  
18 He2+ helium diatomic cation he2+  
19 Li Lithium atom li  
20 Li- Lithium atom anion li-  
21 Li+ Lithium atom cation li+  
22 Na Sodium atom na  
23 Na- Sodium atom anion na-  
24 Na+ Sodium atom cation na+  
25 K Potassium atom k  
26 K- Potassium atom anion k-  
27 K+ Potassium atom cation k+  
28 Cu Copper atom cu  
29 Cu- Copper atom anion cu-  
30 Cu+ Copper atom cation cu+  
31 LiH Lithium Hydride lih  
32 LiH- lithium hydride anion lih-  
33 LiH+ lithium hydride cation lih+  
34 NaH sodium hydride nah  
35 NaH- sodium hydride anion nah-  
36 NaH+ sodium hydride cation nah+  
37 KH Potassium hydride kh  
38 KH+ Potassium hydrogen cation kh+  
39 CuH Copper monohydride cuh  
40 Be Beryllium atom be  
41 Be- Beryllium atom anion be-  
42 Be+ Beryllium atom cation be+  
43 Mg Magnesium atom mg  
44 Mg- Magnesium atom anion mg-  
45 Mg+ Magnesium atom cation mg+  
46 Ca Calcium atom ca  
47 Ca- Calcium atom anion ca-  
48 Ca+ Calcium atom cation ca+  
49 Zn Zinc atom zn  
50 Zn- Zinc atom anion zn-  
51 Zn+ Zinc atom cation zn+  
52 BeH beryllium monohydride beh  
53 BeH- berylium monohydride anion beh-  
54 BeH+ beryllium monohydride cation beh+  
55 MgH magnesium monohydride mgh  
56 MgH- magnesium monohydride anion mgh-  
57 MgH+ magnesium monohydride cation mgh+  
58 CaH Calcium monohydride cah  
59 CaH+ Calcium monohydride cation cah+  
60 TiH Titanium monohydride tih  
61 ZnH Zinc monohydride znh  
62 ZnH+ Zinc, protonated znh+  
63 BeH2 beryllium dihydride beh2  
64 BeH2+ Beryllium dihydride cation beh2+  
65 MgH2 magnesium dihydride mgh2  
66 CaH2 Calcium Hydride cah2  
67 ZnH2 Zinc hydride znh2  
68 B Boron atom b  
69 B- Boron atom anion b-  
70 B+ Boron atom cation b+  
71 Al Aluminum atom al  
72 Al- Aluminum atom anion al-  
73 Al+ Aluminum atom cation al+  
74 Sc Scandium atom sc  
75 Sc+ Scandium cation sc+  
76 Ga Gallium atom ga  
77 Ga- Gallium atom anion ga-  
78 Ga+ Gallium atom cation ga+  
79 BH Boron monohydride bh  
80 BH- boron monohydride anion bh-  
81 BH+ boron monohydride cation bh+  
82 AlH aluminum monohydride alh  
83 AlH- aluminum monohydride anion alh-  
84 AlH+ aluminum monohydride cation alh+  
85 ScH Scandium monohydride sch  
86 ScH+ Scandium monohydride cation sch+  
87 GaH Gallium monohydride gah  
88 GaH+ Gallium monohydride cation gah+  
89 BH2 boron dihydride bh2  
90 BH2- boron dihydride anion bh2-  
91 BH2+ Boron dihydride cation bh2+  
92 AlH2 aluminum dihydride alh2  
93 AlH2- aluminum dihydride anion alh2-  
94 AlH2+ aluminum dihydride cation alh2+  
95 BH3 boron trihydride bh3  
96 BH3- boron trihydride anion bh3-  
97 BH3+ boron trihydride cation bh3+  
98 AlH3 aluminum trihydride alh3  
99 AlH3- aluminum trihydride anion alh3-  
100 AlH3+ aluminum trihydride cation alh3+  
101 ScH3 Scandium trihydride sch3  
102 GaH3 Gallium trihydride gah3  
103 BH4 borohydride bh4  
104 BH4- borohydride anion bh4-  
105 AlH4- Aluminum tetrahydride anion alh4-  
106 C Carbon atom c  
107 C- Carbon atom anion c-  
108 C+ Carbon atom cation c+  
109 Si- Silicon atom anion si-  
110 Si+ Silicon atom cation si+  
111 Ti Titanium atom ti  
112 Ti- Titanium atom anion ti-  
113 Ti+ Titanium atom cation ti+  
114 Ge Germanium atom ge  
115 Ge- Germanium anion ge-  
116 Ge+ Germanium cation ge+  
117 Sn Tin atom sn  
118 Sn+ Tin cation sn+  
119 CH Methylidyne ch  
120 CH- methylidyne anion ch-  
121 CH+ Methylidyne cation ch+  
122 SiH Silylidyne sih  
123 SiH- silicon monohydride anion sih-  
124 SiH+ silicon monohydride cation sih+  
125 GeH germylidene geh  
126 GeH+ Germaniun monohyrdide cation geh+  
127 CH2 Methylene ch2  
128 CH2- methylene anion ch2-  
129 CH2+ methylene cation ch2+  
130 SiH2- silicon dihydride anion sih2-  
131 SiH2+ silicon dihydride cation sih2+  
132 GeH2 germylene geh2  
133 GeH2- germylene anion geh2-  
134 CH3 Methyl radical ch3  
135 CH3- methyl anion ch3-  
136 CH3+ methyl cation ch3+  
137 SiH3- Silyl anion sih3-  
138 SiH3+ Silyl cation sih3+  
139 GeH3 Germyl radical geh3  
140 GeH3+ germyl cation geh3+  
141 CD4 methane-d4 cd4  
142 CH2D2 methane-d2 ch2d2  
143 CH3D methane-d ch3d  
144 CH4 Methane ch4  
145 CH4- Methane anion ch4-  
146 CH4+ Methane cation ch4+  
147 CHD3 methane-d3 chd3  
148 SiH2D2 silane-d2 sih2d2  
149 SiH4+ Silane cation sih4+  
150 GeH4 Germane geh4  
151 SnH4 Stannane snh4  
152 SiH5+ Silane, protonated sih5+  
153 N Nitrogen atom n  
154 N- Nitrogen atom anion n-  
155 N+ Nitrogen atom cation n+  
156 P- Phosphorus atom anion p-  
157 P+ Phosphorus atom cation p+  
158 V Vanadium atom v  
159 V+ Vanadium atom cation v+  
160 As Arsenic atomic as  
161 As- Arsenic anion as-  
162 As+ Arsenic cation as+  
163 Sb Antimony atom sb  
164 NH Imidogen nh  
165 NH- Imidogen anion nh-  
166 NH+ imidogen cation nh+  
167 PH phosphorus monohydride ph  
168 PH- phosphorus monohydride anion ph-  
169 PH+ phosphorus monohydride cation ph+  
170 AsH Arsenic monohydride ash  
171 AsH+ Arsenic monohydride cation ash+  
172 SbH Antimony monohydride sbh  
173 ND2 Amidogen-d2 nd2  
174 NH2 Amino radical nh2  
175 NH2- amino anion nh2-  
176 NH2+ Amino cation nh2+  
177 PH2 Phosphino radical ph2  
178 PH2- Phosphino anion ph2-  
179 PH2+ Phosphino cation ph2+  
180 AsH2 Arsenic dihydride ash2  
181 AsH2+ Arsenic dihydride cation ash2+  
182 ND3 Ammonia-d3 nd3  
183 NH3 Ammonia nh3  
184 NH3- Ammonia anion nh3-  
185 NH3+ ammonia cation nh3+  
186 PH3+ Phosphine cation ph3+  
187 AsH3 Arsine ash3  
188 AsH3+ Arsine cation ash3+  
189 SbH3 Stibine sbh3  
190 AsH4+ Arsonium ash4+  
191 NH4 Ammonium radical nh4  
192 NH4+ ammonium cation nh4+  
193 PH4 Phosphoranyl radical ph4  
194 O Oxygen atom o  
195 O- Oxygen atom anion o-  
196 O+ Oxygen atom cation o+  
197 S- Sulfur atom anion s-  
198 S+ Sulfur atom cation s+  
199 Cr Chromium atom cr  
200 Se Selenium atom se  
201 Se- Selenium atom anion se-  
202 Se+ Selenium atom cation se+  
203 Te Tellurium atom te  
204 Te+ Tellurium atom cation te+  
205 DO Hydroxyl-d od  
206 OH Hydroxyl radical oh  
207 OH- hydroxide anion oh-  
208 OH+ hydoxyl cation oh+  
209 DS Mercapto-d ds  
210 HS- mercapto anion sh-  
211 HS+ sulfur monohydride cation sh+  
212 CrH Chromium hydride crh  
213 CrH+ Chromium hydride cation crh+  
214 HSe Selenium monohydride hse  
215 HSe- selenium monohydride anion hse-  
216 HSe+ selenium monohydride cation hse+  
217 TeH Telluryl radical teh  
218 D2O Deuterium oxide d2o  
219 H2O Water h2o  
220 H2O- water anion h2o-  
221 H2O+ water cation h2o+  
222 HDO Water-d1 hdo  
223 D2S Hydrogen sulfide-d2 d2s  
224 H2S- Hydrogen sulfide anion h2s-  
225 H2Se Hydrogen selenide h2se  
226 H2Se+ Hydrogen selenide cation h2se+  
227 H2Te Hydrogen Telluride h2te  
228 H3O+ hydronium cation h3o+  
229 H3Se+ Hydrogen Selenide, protonated h3se+  
230 F Fluorine atom f  
231 F- Fluorine atom anion f-  
232 F+ Fluorine atom cation f+  
233 Cl- Chlorine atom anion cl-  
234 Cl+ Chlorine atom cation cl+  
235 Mn Manganese atom mn  
236 Br Bromine atom br  
237 Br- Bromine atom anion br-  
238 Br+ Bromine atom cation br+  
239 I Iodine atom iodine  
240 I- Iodine atom anion iodine-  
241 I+ Iodine atom cation iodine+  
242 DF Hydrofluoric acid-d df  
243 HF Hydrogen fluoride hf  
244 HF- hydrogen fluoride anion hf-  
245 HF+ hydrogen fluoride cation hf+  
246 DCl Hydrochloric acid-d dcl  
247 HCl- hydrogen chloride anion hcl-  
248 HCl+ hydrogen chloride cation hcl+  
249 HBr hydrogen bromide hbr  
250 HBr- hydrogen bromide anion hbr-  
251 HBr+ hydrogen bromide cation hbr+  
252 HI Hydrogen iodide hi  
253 HI+ Hydrogen iodide cation hi+  
254 H2F+ dihydrogen fluoride cation h2f+  
255 H2Cl+ dihydrogen monochloride cation h2cl+  
256 H2Br+ protonated hydrogen bromide h2br+  
257 H2I+ Iodonium h2i+  
258 Ne Neon atom ne  
259 Ne- Neon atom anion ne-  
260 Ne+ Neon atom cation ne+  
261 Ar Argon atom ar  
262 Ar- Argon atom anion ar-  
263 Ar+ Argon atom cation ar+  
264 Fe Iron atom fe  
265 Kr Krypton atom kr  
266 Kr+ Krypton cation kr+  
267 Xe Xenon atom xe  
268 HeLi+ Helium Lithium cation heli+  
269 NeH neon hydrogen neh  
270 NeH+ neon hydrogen cation neh+  
271 ArH+ Argon hydride cation arh+  
272 KrH+ Protonated Krypton krh+  
273 XeH+ Xenon, protonated xeh+  
274 H2Ar H2 Ar dimer h2ar  
275 Co Cobalt atom cobalt  
276 Ni Nickel atom ni  
277 Li2 Lithium diatomic li2  
278 Li2- lithium diatomic anion li2-  
279 Li2+ lithium diatomic cation li2+  
280 NaLi lithium sodium lina  
281 NaLi- lithium sodium anion lina-  
282 NaLi+ lithium sodium cation lina+  
283 LiK Lithium Potassium lik  
284 Na2 Sodium diatomic na2  
285 Na2- sodium diatomic anion na2-  
286 Na2+ sodium diatomic cation na2+  
287 NaK Sodium Potassium nak  
288 NaK+ Sodium Potassium diatomic cation nak+  
289 K2 Potassium diatomic k2  
290 Cu2 Copper diatomic cu2  
291 LiBe Lithium Beryllium libe  
292 LiMg Lithium magnesium limg  
293 NaBe Sodium Beryllium nabe  
294 NaMg Sodium Magnesium namg  
295 Be2 Beryllium diatomic be2  
296 Be2- Beryllium diatomic anion be2-  
297 Be2+ Beryllium diatomic cation be2+  
298 BeMg Beryllium Magnesium bemg  
299 Mg2 Magnesium diatomic mg2  
300 Mg2- magnesium diatomic anion mg2-  
301 Mg2+ magnesium diatomic cation mg2+  
302 Ca2 Calcium diatomic ca2  
303 LiB Lithium boride lib  
304 LiAl Lithium Aluminum lial  
305 NaAl Sodium aluminum naal  
306 BeB Beryllium monoboride beb  
307 B2 Boron diatomic b2  
308 B2- Boron diatomic anion b2-  
309 B2+ Boron diatomic cation b2+  
310 Al2 Aluminum diatomic al2  
311 Al2- aluminum diatomic anion al2-  
312 Al2+ aluminum diatomic cation al2+  
313 BGa Boron Gallium bga  
314 AlGa Aluminum Gallium alga  
315 Ga2 Gallium diatomic ga2  
316 HBBH Diborane(2) hbbh  
317 LiBH4 Lithium borohydride libh4  
318 B2H4 Diborane(4) D2d b2h4  
319 HBHHBH Diborane(4) C2V hbhhbh  
320 B2H6 Diborane b2h6  
321 B2H6+ Diborane cation b2h6  
322 Al2H6 dialane al2h6  
323 Ga2H6 digallane ga2h6  
324 LiC Lithium Carbide lic  
325 BeC Beryllium Carbide bec  
326 CaC Calcium monocarbide cac  
327 BC boron monocarbide bc  
328 BC- boron monocarbide anion bc-  
329 BC+ boron monocarbide cation bc+  
330 BSi Boron silicide bsi  
331 C2 Carbon diatomic c2  
332 C2- carbon diatomic anion c2-  
333 C2+ carbon diatomic cation c2+  
334 SiC- silicon monocarbide anion sic-  
335 SiC+ silicon monocarbide cation sic+  
336 Si2 Silicon diatomic si2  
337 Si2- silcon diatomic anion si2-  
338 Si2+ silcon diatomic cation si2+  
339 GeC Germanium monocarbide gec  
340 SiGe Silicon Germanium sige  
341 Ge2 Germanium diatomic ge2  
342 C2H Ethynyl radical c2h  
343 C2H- Ethynyl anion c2h-  
344 C2H+ Ethynyl cation c2h+  
345 ZnCH2 Zinc methylene znch2  
346 C2H2 Acetylene c2h2  
347 C2H2+ acetylene cation c2h2+  
348 CCH2 vinylidene vinylidene  
349 H2CC- vinylidene anion h2cc-  
350 HCCH- acetylene anion c2h2-  
351 Si2H2 disilyne si2h2  
352 CH3Li methyl lithium ch3li  
353 CuCH3 monomethyl copper cuch3  
354 ZnCH3 Zinc monomethyl znch3  
355 CH2BH methyleneborane ch2bh  
356 C2H3 vinyl c2h3  
357 C2H3- vinyl anion c2h3-  
358 C2H3+ vinyl cation c2h3+  
359 C2H4 Ethylene c2h4  
360 C2H4- Ethylene anion c2h4-  
361 C2H4+ Ethylene cation c2h4+  
362 CH3CH methylmethylene ch3ch  
363 CH2SiH2 silaethylene ch2sih2  
364 Si2H4 Disilene si2h4  
365 CH3BH2 methylborane ch3bh2  
366 C2H5 Ethyl radical c2h5  
367 C2H5- Ethyl anion c2h5-  
368 C2H5+ Ethyl cation c2h5+  
369 C2H6 Ethane c2h6  
370 C2H6+ ethane cation c2h6+  
371 CH3SiH3 methyl silane ch3sih3  
372 GeH3CH3 methyl germane geh3ch3  
373 C2H7+ Ethane, protonated c2h7+  
374 LiN Lithium Nitride lin  
375 LiN+ Lithium Nitride cation lin+  
376 LiP Lithium monophosphide lip  
377 BeN Beryllium mononitride ben  
378 BeN- Beryllium mononitride anion ben-  
379 BeN+ Beryllium mononitride cation ben+  
380 MgN Magnesium Nitride mgn  
381 BN- boron nitride anion bn-  
382 AlN- aluminum mononitride anion aln-  
383 AlN+ aluminum mononitride cation aln+  
384 BP Boron monophosphide bp  
385 AlP Aluminum monophosphide alp  
386 GaN Gallium mononitride gan  
387 GaP Gallium monophosphide gap  
388 GaAs Gallium arsenide gaas  
389 BN boron nitride bn  
390 BN+ boron nitride cation bn+  
391 AlN Aluminum nitride aln  
392 CN Cyano radical cn  
393 CN- cyanide anion cn-  
394 CN+ Cyano cation cn+  
395 CP Carbon monophosphide cp  
396 CP- carbon monophosphide anion cp-  
397 CP+ carbon monophosphide cation cp+  
398 SiN Silicon nitride sin  
399 SiN- silicon mononitride anion sin-  
400 SiN+ silicon mononitride cation sin+  
401 SiP Silicon monophosphide sip  
402 SiP- Silicon monophosphide anion sip-  
403 SiP+ Silicon monophosphide cation sip+  
404 TiN Titanium mononitride tin  
405 N2 Nitrogen diatomic n2  
406 N2- nitrogen diatomic anion n2-  
407 N2+ diatomic nitrogen cation n2+  
408 PN Phosphorus mononitride pn  
409 PN- phosphorus nitride anion pn-  
410 PN+ phosphorus nitride cation pn+  
411 P2- phosphorus diatomic anion p2-  
412 P2+ phosphorus diatomic cation p2+  
413 AsN Arsenic mononitride asn  
414 AsP Arsenic monophosphide asp  
415 SbN Antimony nitride sbn  
416 As2 Arsenic diatomic as2  
417 HNB hydrogen nitrogen boron hnb  
418 HNC hydrogen isocyanide hnc  
419 HCN Hydrogen cyanide hcn  
420 HCN- Hydrogen cyanide anion hcn-  
421 HCN+ hydrogen cyanide cation hcn+  
422 HNC+ hydrogen isocyanide cation hnc+  
423 HCP Phosphaethyne hcp  
424 HCP+ Phosphaethyne cation hcp+  
425 NNH Dinitrogen monohydride nnh  
426 NNH+ Dinitrogen monohydride cation nnh+  
427 HPO Hydrogen phosphorus oxide hpo  
428 HPO+ Hydrogen phosphorus oxide cation hpo+  
429 LiNH2 lithium amide linh2  
430 HBNH Boranimine hbnh  
431 CNH2 Aminomethylidyne radical cnh2  
432 CNH2+ N-protonated hydrogen isocyanide cnh2+  
433 H2CN Dihydrogen cyanide radical h2cn  
434 H2CN+ hydrocyanonium cation h2cn+  
435 HCNH methyleneazane hcnh  
436 HCNH+ N-protonated HCN hcnh+  
437 H2NN Isodiazene h2nn  
438 N2H2 (E)-diazene n2h2  
439 N2H2 (Z)-Diazene n2h2z  
440 N2H2+ trans-diazene cation n2h2+  
441 CH2NH Methanimine ch3n  
442 CH2NH+ Methanimine cation ch2nh+  
443 CHNH2 aminomethylene chnh2  
444 CHNH2+ Aminocarbene cation chnh2+  
445 BH2NH2 Boranamine bh2nh2  
446 CH2NH2+ methyleneamine cation ch2nh2+  
447 N2H4 Hydrazine n2h4  
448 N2H4+ hydrazine cation n2h4+  
449 P2H4 Diphosphine p2h4  
450 CH3NH2 methyl amine ch3nh2  
451 CH3NH2+ methyl amine cation ch3nh2+  
452 CH3PH2 Methyl phosphine ch3ph2  
453 SiH3NH2 Silane, amino sih3nh2  
454 N2H5+ protonated hydrazine n2h5+  
455 BH3PH3 borane phosphine bh3ph3  
456 BH3NH3 borane ammonia bh3nh3  
457 CH3NH3 methyl ammonium radical ch3nh3  
458 CH3NH3+ protonated methylamine ch3nh3+  
459 CH3PH3+ methyl phosphine, protonated ch3ph3+  
460 NH3NH3 Ammonia Dimer nh3nh3  
461 N2H7+ ammonia ammonium dimer n2h7+  
462 LiO lithium oxide lio  
463 LiO- lithium oxide anion lio-  
464 LiO+ lithium oxide cation lio+  
465 NaO sodium monoxide nao  
466 NaO- sodium oxide anion nao-  
467 NaO+ sodium oxide cation nao+  
468 KO Potassium monoxide ko  
469 KO+ Potassium monoxide cation ko+  
470 CuO Copper Monoxide cuo  
471 LiSe Lithium monoselenide lise  
472 BeO beryllium oxide beo  
473 BeO- Beryllium monoxide anion beo-  
474 BeO+ Beryllium monoxide cation beo+  
475 BeS beryllium sulfide bes  
476 MgO magnesium oxide mgo  
477 MgO- magnesium oxide anion mgo-  
478 MgO+ magnesium oxide cation mgo+  
479 CaO Calcium monoxide cao  
480 MgS magnesium sulfide mgs  
481 MgS- magnesium sulfide anion mgs-  
482 MgS+ magnesium sulfide cation mgs+  
483 CaS Calcium sulfide cas  
484 ZnO zinc monoxide zno  
485 ZnS Zinc sulfide zns  
486 BeS- Beryllium monosulfide anion bes-  
487 BeS+ Beryllium monosulfide cation bes+  
488 BO boron monoxide bo  
489 BO- boron monoxide anion bo-  
490 AlO Aluminum monoxide alo  
491 AlO- Aluminum monoxide anion alo-  
492 AlO+ aluminum monoxide cation alo+  
493 BS boron sulfide bs  
494 BS- boron monosulfide anion bs-  
495 BS+ boron monosulfide cation bs+  
496 AlS Aluminum sulfide als  
497 AlS- aluminum monosulfide anion als-  
498 AlS+ aluminum monosulfide cation als+  
499 ScO Scandium monoxide sco  
500 GaO Gallium monoxide gao  
501 GaS Gallium monosulfide gas  
502 BO+ boron monoxide cation bo+  
503 CO Carbon monoxide co  
504 CO- carbon monoxide anion co-  
505 CO+ carbon monoxide cation co+  
506 CS carbon monosulfide cs  
507 CS- carbon monosulfide anion cs-  
508 CS+ carbon monosulfide cation cs+  
509 SiO- silicon monoxide anion sio-  
510 SiO+ silicon monoxide cation sio+  
511 SiS- silicon monosulfide anion sis-  
512 SiS+ silicon monosulfide cation sis+  
513 TiO Titanium monoxide tio  
514 CSe Carbon monoselenide cse  
515 CSe- Carbon monoselenide anion cse-  
516 CSe+ Carbon monoselenide cation cse+  
517 GeO+ Germanium monoxide cation geo+  
518 GeS Germanium monosulfide ges  
519 SiSe Silicon Monoselenide sise  
520 SiSe+ Silicon Monoselenide cation sise+  
521 GeSe Germanium monoselenide gese  
522 NO Nitric oxide no  
523 NO- nitric oxide anion no-  
524 NO+ nitric oxide cation no+  
525 NS- nitrogen sulfide anion ns-  
526 NS+ nitrogen sulfide cation ns+  
527 PO- phosphorus monoxide anion po-  
528 PO+ phosphorus monoxide cation po+  
529 PS- phosphorus monosulfide anion ps-  
530 PS+ phosphorus monosulfide cation ps+  
531 VO Vanadium monoxide vo  
532 AsO Arsenic monoxide aso  
533 NSe Nitrogen monoselenide nse  
534 AsS Arsenic monosulfide ass  
535 PSe Phosphorus monoselenide pse  
536 AsSe Arsenic monoselenide asse  
537 O2 Oxygen diatomic o2  
538 O2- oxygen diatomic anion o2-  
539 O2-- dioxygen dianion o2--  
540 O2+ diatomic oxygen cation o2+  
541 SO- sulfur monoxide anion so-  
542 SO+ sulfur monoxide cation so+  
543 S2- sulfur diatomic anion s2-  
544 SeO Selenium monoxide seo  
545 SeO- selenium monoxide anion seo-  
546 SeO+ selenium monoxide cation seo+  
547 SeS Selenium monosulfide ses  
548 SeS- selenium monosulfide anion ses-  
549 SeS+ selenium monosulfide cation ses+  
550 TeO Tellurium monoxide teo  
551 Se2 Selenium diatomic se2  
552 Se2- selenium diatomic anion se2-  
553 Se2+ selenium diatomic cation se2+  
554 Te2 Tellurium diatomic te2  
555 LiOH lithium hydroxide lioh  
556 NaOH sodium hydroxide naoh  
557 KOH Potassium hydroxide koh  
558 BeOH beryllium monohydroxide beoh  
559 MgOH magnesium hydroxide mgoh  
560 CaOH Calcium monohydroxide caoh  
561 HBO Boron hydride oxide hbo  
562 COH Hydroxymethylidyne coh  
563 COH+ Carbon Monoxide, protonated coh+  
564 HCO Formyl radical hco  
565 HCO- formyl anion hco-  
566 HCO+ Formyl cation hco+  
567 HCS Thioformyl radical hcs  
568 HCS- Thioformyl anion hcs-  
569 HCS+ Thioformyl cation hcs+  
570 HNO Nitrosyl hydride hno  
571 HNO- Nitrosyl hydride anion hno-  
572 HNO+ Nitrosyl hydride cation hno+  
573 NOH Hydroxyimidogen noh  
574 NOH+ O-protonated nitric oxide noh+  
575 HNS Sulfur imide hns  
576 HNS- Sulfur imide anion hns-  
577 HO2 Hydroperoxy radical ho2  
578 HO2- Hydroperoxy anion ho2-  
579 HO2+ Hydroperoxy cation ho2+  
580 HSO+ Sulfur Monoxide, S-protonated HSO+  
581 SOH Sulfur Hydroxide soh  
582 SOH+ Sulfur Monoxide, protonated soh+  
583 HS2 Thiosulfeno radical hs2  
584 H2CO Formaldehyde h2co  
585 H2CO- formaldehyde anion h2co-  
586 H2CO+ formaldehyde cation h2co+  
587 HOCH hydroxycarbene hoch  
588 H2CS- thioformaldehyde anion h2cs-  
589 H2CS+ thioformaldehyde cation h2cs+  
590 H2CSe Selenoformaldehyde h2cse  
591 H2NO nitroxide h2no  
592 H2O2 Hydrogen peroxide h2o2  
593 H2O2+ Hydrogen peroxide cation h2o2+  
594 H2OO water oxide h2oo  
595 HOSH hydrogen thioperoxide hosh  
596 H2Se2 hydrogen diselenide h2se2  
597 CH2OH Hydroxymethyl radical ch2oh  
598 CH2OH+ hydroxymethyl cation ch2oh+  
599 CH3O Methoxy radical ch3o  
600 CH3O- methoxy anion ch3o-  
601 CH3O+ Methoxy cation ch3o+  
602 CH3S thiomethoxy ch3s  
603 H2CSH+ Thioformaldehyde, protonated h2csh+  
604 NH2OH hydroxylamine nh2oh  
605 NH2OH+ Hydroxylamine cation nh2oh+  
606 NH3O Ammonia Oxide nh3o  
607 H2POH Phosphinous acid h2poh  
608 NH2SH Thiohydroxylamine nh2sh  
609 NH3S sulfidoazane nh3s  
610 H3O2+ hydrogen peroxide, protonated h3o2+  
611 CH3OH Methyl alcohol ch3oh  
612 CH3OH- Methyl alcohol anion ch3oh-  
613 CH3OH+ Methyl alcohol cation ch3oh+  
614 CH3SH+ Methanethiol cation ch3sh+  
615 SiH3OH silanol sih3oh  
616 CH3SeH Methane selenol ch3seh  
617 NH2OH2+ protonated hydroxylamine nh2oh2+  
618 NH3OH+ N-protonated hydroxylamine nh3oh+  
619 H2OH2O water dimer h2oh2o  
620 CH3OH2+ Methanol, protonated ch3oh2+  
621 H2ONH3 Water Ammonia Dimer h2onh3  
622 H5O2+ Dihydroxonium ion h5o2+  
623 LiF lithium fluoride lif  
624 LiCl- lithium chloride anion licl-  
625 LiCl+ lithium chloride cation licl+  
626 NaF sodium fluoride naf  
627 NaF- sodium fluoride anion naf-  
628 NaF+ sodium fluoride cation naf+  
629 KF Potassium Fluoride kf  
630 NaCl Sodium Chloride nacl  
631 NaCl- sodium chloride anion nacl-  
632 NaCl+ sodium chloride cation nacl+  
633 KCl Potassium Chloride kcl  
634 CuF Copper monofluoride cuf  
635 LiBr Lithium Bromide libr  
636 LiBr- lithium bromide anion libr-  
637 LiBr+ lithium bromide cation libr+  
638 CuCl Copper monochloride cucl  
639 NaBr Sodium Bromide nabr  
640 NaBr- sodium bromide anion nabr-  
641 NaBr+ sodium bromide cation nabr+  
642 KBr Potassium Bromide kbr  
643 LiI Lithium Iodide lii  
644 NaI Sodium Iodide nai  
645 KI Potassium Iodide ki  
646 LiF- lithium fluoride anion lif-  
647 LiF+ lithium fluoride cation lif+  
648 BeF Beryllium monofluoride bef  
649 BeF- Beryllium monofluoride anion bef-  
650 BeF+ Beryllium monofluoride cation bef+  
651 BeCl beryllium monochloride becl  
652 MgF Magnesium monofluoride mgf  
653 MgF- magnesium fluoride anion mgf-  
654 MgF+ magnesium fluoride cation mgf+  
655 CaF Calcium monofluoride caf  
656 MgCl magnesium monochloride mgcl  
657 MgCl- magnesium monochloride anion mgcl-  
658 MgCl+ magnesium monochloride cation mgcl+  
659 CaCl calcium monochloride cacl  
660 TiCl Titanium Monochloride ticl  
661 ZnF Zinc monofluoride znf  
662 ZnF- Zinc monofluoride anion znf-  
663 ZnF+ Zinc monofluoride cation znf+  
664 ZnCl Zinc monochloride zncl  
665 CaBr Calcium monobromide cabr  
666 BeCl- beryllium monochloride anion becl-  
667 BeCl+ beryllium monochloride cation becl+  
668 BF Boron monofluoride bf  
669 BF- Boron monofluoride anion bf-  
670 BF+ Boron monofluoride cation bf+  
671 AlF- Aluminum monofluoride anion alf-  
672 AlF+ Aluminum monofluoride cation alf+  
673 BCl boron monochloride bcl  
674 BCl- boron monochloride anion bcl-  
675 BCl+ boron monochloride cation bcl+  
676 AlCl- aluminum monochloride anion alcl-  
677 AlCl+ aluminum monochloride cation alcl+  
678 ScF Scandium monofluoride scf  
679 BBr Boron monobromide bbr  
680 GaF Gallium monofluoride gaf  
681 GaF+ Gallium monofluoride cation gaf+  
682 AlBr Aluminum monobromide albr  
683 GaCl Gallium monochloride gacl  
684 GaCl+ Gallium monochloride cation gacl+  
685 AlI Aluminum monoiodide ali  
686 GaBr Gallium monobromide gabr  
687 CF Fluoromethylidyne cf  
688 CF- carbon monofluoride anion cf-  
689 CF+ carbon monofluoride cation cf+  
690 CCl carbon monochloride ccl  
691 CCl- carbon monochloride anion ccl-  
692 CCl+ carbon monochloride cation ccl+  
693 SiF silicon monofluoride sif  
694 SiF- silicon monofluoride anion sif-  
695 SiF+ silicon monofluoride cation sif+  
696 SiCl Clorosilylidyne sicl  
697 SiCl- silicon monochloride anion sicl-  
698 SiCl+ silicon monochloride cation sicl+  
699 CBr Carbon monobromide cbr  
700 GeF Germanium monofluoride gef  
701 GeF+ Germanium monofluoride cation gef+  
702 GeCl Germanium monochloride gecl  
703 SiBr Silicon monobromide sibr  
704 SiBr+ Silicon monobromide cation sibr+  
705 NF nitrogen fluoride nf  
706 NF- nitrogen monofluorine anion nf-  
707 NF+ nitrogen monofluoirde cation nf+  
708 NCl- nitrogen monochloride anion ncl-  
709 NCl+ nitrogen monochloride cation ncl+  
710 PF phosphorus monofluoride pf  
711 PF- phosphorus monofluoride anion pf-  
712 PF+ phosphorus monofluoride cation pf+  
713 PCl phosphorus chloride pcl  
714 PCl- phosphorus monochloride anion pcl-  
715 PCl+ phosphorus monochloride cation pcl+  
716 AsF Arsenic monofluoride asf  
717 NBr nitrogen monobromide nbr  
718 AsCl Arsenic monochloride ascl  
719 PBr Phosphorus monobromide pbr  
720 SbF Antimony monofluoride sbf  
721 SbCl Antimony monochloride sbcl  
722 FO Oxygen monofluoride fo  
723 FO- flourine oxide anion fo-  
724 FO+ fluorine monoxide cation fo+  
725 ClO Monochlorine monoxide clo  
726 ClO- chlorine monoxide anion clo-  
727 ClO+ chlorine monoxide cation clo+  
728 SF- sulfur monofluoride anion sf-  
729 SF+ sulfur monofluoride cation sf+  
730 SCl- sulfur monochloride anion scl-  
731 BrO Bromine monoxide bro  
732 BrO- Bromine monoxide anion bro-  
733 BrO+ Bromine monoxide cation bro+  
734 SeF Selenium monofluoride sef  
735 SBr Sulfur monobromide radical sbr  
736 SBr+ Sulfur monobromide cation sbr+  
737 SeCl Selenium monochloride secl  
738 IO Iodine monoxide io  
739 SeBr Selenium monobromide sebr  
740 BrCl Bromine monochloride brcl  
741 F2 Fluorine diatomic f2  
742 F2- flourine diatomic anion f2-  
743 F2+ flourine diatomic cation f2+  
744 ClF Chlorine monofluoride clf  
745 ClF- clorine monofluoride anion clf-  
746 ClF+ clorine monofluoride cation clf+  
747 Cl2 Chlorine diatomic cl2  
748 BrF Bromine monofluoride brf  
749 BrF- bromine fluoride anion brf-  
750 BrF+ bromine fluoride cation brf+  
751 BrCl- bromine chloride anion brcl-  
752 BrCl+ bromine chloride cation brcl+  
753 IF Iodine monofluoride if  
754 Br2 Bromine diatomic br2  
755 Br2- bromine diatomic anion br2-  
756 Br2+ bromine diatomic cation br2+  
757 ICl Iodine monochloride icl  
758 IBr Iodine monobromide ibr  
759 I2 Iodine diatomic i2  
760 I2+ Iodine diatomic cation i2+  
761 HCF Fluoromethylene hcf  
762 HCCl Chloromethylene hccl  
763 HSiF fluorosilylene hsif  
764 HSiCl Chlorosilylene hsicl  
765 HSiBr monobromosilylene hsibr  
766 CHBr bromomethylene chbr  
767 HOF Hypofluorous acid hfo  
768 DOCl Hypochlorous acid-d docl  
769 HOCl hypochlorous acid hocl  
770 HOCl+ hypochlorous acid cation hocl+  
771 HOBr Hypobromous acid hobr  
772 HOBr+ Hypobromous acid cation hobr+  
773 HOI Hypoiodous acid hoi  
774 F2H+ Fluorine, protonated f2h+  
775 FHF Hydrogen difluoride fhf  
776 FHF- Hydrogen difluoride anion fhf-  
777 ClFH+ Chlorine fluoride, F-protonated clfh+  
778 FClH+ Chlorine fluoride, Cl-protonated fclh+  
779 Cl2H+ Chlorine, protonated cl2h+  
780 CH2Br bromomethyl radical ch2br  
781 CH2F fluoromethyl radical ch2f  
782 CH2F+ fluoromethyl cation ch2f+  
783 CH2Cl+ chloromethyl cation ch2cl+  
784 CH2Cl chloromethyl radical ch2cl  
785 NH2F monofluoroamine nh2f  
786 NH2Cl chloramine nh2cl  
787 H2F2 Hydrogen fluoride dimer h2f2  
788 CH3F+ methyl fluoride cation ch3f+  
789 CD3F methylfluoride-d3 cd3f  
790 CH3F Methyl fluoride ch3f  
791 CD3Cl methyl chloride d3 cd3cl  
792 CH3Cl+ Methyl chloride cation ch3cl+  
793 CH3Br methyl bromide ch3br  
794 GeH3F monofluorogermane geh3f  
795 GeH3Cl monochlorogermane geh3cl  
796 SiH3Br bromosilane sih3br  
797 CH3I methyl iodide ch3i  
798 SiH3I Silyl Iodide sih3i  
799 NH3Cl+ protonated monochloroammonia nh3cl+  
800 CH3ClH+ methyl chloride, protonated ch3clh+  
801 NH4Cl Ammonium chloride nh4cl  
802 LiNe+ Lithium Neon cation line+  
803 Ne2 Neon diatomic ne2  
804 Ne2+ Neon diatomic cation ne2+  
805 Ar2 Argon diatomic ar2  
806 Ar2+ Argon diatomic cation ar2+  
807 Li3 Lithium trimer li3  
808 Li3+ Lithium trimer cation li3+  
809 C3 carbon trimer c3  
810 C3+ carbon trimer cation c3+  
811 SiC2 Silicon dicarbide sic2  
812 C3H3 cyclopropenyl radical cpr  
813 C3H3 Propargyl radical propargyl  
814 C3H3- Propargyl anion c3h3-  
815 C3H3+ cyclopropenyl cation cpr+  
816 C3H3+ Propargyl cation c3h3+  
817 C3H4 cyclopropene cprop  
818 CH2CCH2 allene allene  
819 CH3CCH propyne propyne  
820 C3H5 Allyl radical allyl  
821 C3H5+ Allyl cation allyl+  
822 CH3CHCH 1-propenyl radical ch3chch  
823 Zn(CH3)2 dimethyl zinc dmz  
824 C3H6 Cyclopropane c3h6  
825 CH2CHCH3 Propene propene  
826 C3H7 n-Propyl radical npropyl  
827 C3H7+ cyclopropane, protonated c3h7+  
828 CH3CHCH3 Isopropyl radical isopropyl  
829 CH3CHCH3+ Isopropyl cation prop2yl+  
830 C3H8 Propane propane  
831 SiH2(CH3)2 dimethylsilane dms  
832 LiCN lithium cyanide licn  
833 NaCN Sodium Cyanide nacn  
834 KCN Potassium cyanide kcn  
835 CuCN Copper cyanide cucn  
836 ZnCN Zinc monocyanide zncn  
837 ZnNC Zinc isocyanide znnc  
838 AlCN Aluminum monocyanide alcn  
839 AlNC Aluminum isocyanide alnc  
840 CN2 3H-Diazirin-3-ylidene cn2  
841 CNN Diazocarbene cnn  
842 NCN Cyanoimidogen ncn  
843 N3 azide radical n3  
844 N3- azide anion n3-  
845 N3+ azide cation n3+  
846 HCCN cyanomethylene hccn  
847 HCNN diazomethyl radical hcnn  
848 HN3 hydrogen azide hn3  
849 HN3+ Hydrazoic acid cation hn3+  
850 HNCNH diiminomethane hncnh  
851 CH2N2 diazirine ch2n2  
852 CH2NN diazomethane ch2nn  
853 NH2CN cyanamide cyanamide  
854 HNNNH+ 1,2-Triazadienium n2h3+  
855 NH2NN+ hydrazoic acid, protonated nh2nn+  
856 CH3CN Acetonitrile ch3cn  
857 CH3CN- acetonitrile anion ch3cn-  
858 CH3CN+ Acetonitrile cation ch3cn+  
859 CH3NC methyl isocyanide ch3nc  
860 CHNCH2 2H-Azirine c157164  
861 CHNHCH 1H-Azirine chnhch  
862 H2CCNH Ethenimine ch2cnh  
863 H2CNCH methyleneaminomethylene ch2nch  
864 HCCNH2 Ethynamine hccnh2  
865 HCNCH2+ 2H-Azirine cation hcnch2+  
866 HNCNH2+ diiminomethane, protonated hncnh2+  
867 NCNH3+ Cyanamide, protonated ncnh3+  
868 NH2CNH+ cyanamide, cn protonated nh2cnh+  
869 NH3CN+ cyanamide, amine protonated nh3cn+  
870 CH2CHNH vinylazine ch2chnh  
871 CH3CHN methylmethaniminyl radical ch3chn  
872 NHCHNH2 aminomethanimine cn2h4  
873 C2H5N Aziridine c2h5n  
874 CH2CHNH2 aminoethene aminoethene  
875 CH2NCH3 N-methylmethanimine nmm  
876 CH3CHNH ethanimine ethanimine  
877 NH2BHNH2 diaminoborane nh2bhnh2  
878 C2H5NH+ Protonated Aziridine c2h5nh+  
879 C2H6N+ aziridine, protonated c2h6n+  
880 NH2CH2NH2 diaminomethane nh2ch2nh2  
881 CH3CH2NH2 Ethylamine etam  
882 CH3NHCH3 Dimethylamine ch3nhch3  
883 CH3PHCH3 dimethylphosphine ch3phch3  
884 NH2CH2NH3+ diaminoethane, protonated pdam  
885 (CH3)2NH2+ dimethylammonium cation dmam  
886 CH3CH2NH3+ ethylamine, protonated pea  
887 Li2O dilithium oxide li2o  
888 Li2O+ dilithium oxide cation li2o+  
889 Na2O disodium monoxide na2o  
890 LiO2 Lithium dioxide lio2  
891 NaO2 Sodium superoxide nao2  
892 CCO Dicarbon monoxide cco  
893 CNO- fulminate cno-  
894 NCO isocyanato radical nco  
895 NCO- cyanate nco-  
896 SCN thiocyanato radical scn  
897 SCN- thiocyanide anion scn-  
898 BO2 Boron dioxide bo2  
899 BO2- Boron dioxide anion bo2-  
900 BO2+ Boron dioxide cation bo2+  
901 N2O Nitrous oxide n2o  
902 N2O- Nitrous oxide anion n2o-  
903 N2O+ Nitrous oxide cation n2o+  
904 PPO Phosphorus oxide phosphide ppo  
905 CO2 Carbon dioxide co2  
906 CO2- Carbon dioxide anion co2-  
907 CO2+ Carbon dioxide cation co2+  
908 OCS+ Carbonyl sulfide cation cos+  
909 SiO2 silicon dioxide sio2  
910 CS2 Carbon disulfide cs2  
911 CS2- Carbon disulfide anion cs2-  
912 CS2+ Carbon disulfide cation cs2+  
913 TiO2 Titanium dioxide tio2  
914 SiS2 Silicon disulfide sis2  
915 GeO2 Germanium dioxide geo2  
916 OCSe Carbonyl selenide ocse  
917 SCSe Carbon sulfide selenide scse  
918 GeS2 Germanium disulfide ges2  
919 CSe2 Carbon diselenide cse2  
920 SCTe Carbon sulfide Telluride scte  
921 NO2 Nitrogen dioxide no2  
922 NO2- Nitrogen dioxide anion no2-  
923 NO2+ Nitrogen dioxide cation no2+  
924 NSO sulfinyl amidogen NSO  
925 PO2 Phosphorus dioxide po2  
926 PO2- Phosphorus dioxide anion po2-  
927 PO2+ Phosphorus dioxide cation po2+  
928 SNO Nitrogen oxide sulfide sno  
929 AsO2 Aresenic dioxide aso2  
930 O3 Ozone o3  
931 O3- Ozone anion o3-  
932 O3+ Ozone cation o3+  
933 SO2- Sulfur dioxide anion so2-  
934 SO2+ Sulfur dioxide cation so2+  
935 SSO Disulfur monoxide sso  
936 S3- Sulfur trimer anion s3-  
937 SeO2 Selenium dioxide seo2  
938 SeO2+ Selenium dioxide cation seo2+  
939 TeO2 Tellurium Dioxide teo2  
940 HCCO ketenyl radical ketenyl  
941 CS2H+ Carbon disulfide, protonated cs2h+  
942 HCNO fulminic acid hcno  
943 HNCO Isocyanic acid hnco  
944 HOCN cyanic acid hocn  
945 HNCS Isothiocyanic acid hncs  
946 HSCN thiocyanic acid hscn  
947 HCO2- formate anion hco2-  
948 HNNO nitrosoazane hnno  
949 HNNO+ Nitrous oxide, N-protonated hnno+  
950 NNOH+ Nitrous Oxide, O-protonated nnoh+  
951 HCOO formate neutral radical hcoo  
952 HOCO Hydrocarboxyl radical hoco  
953 HOCO+ Hydrocarboxyl cation hoco+  
954 HNO2 Nitrous acid hno2  
955 HNO2+ nitrous acid cation hno2+  
956 O3H+ protonated ozone o3h+  
957 SO2H+ protonated sulfur dioxide so2h+  
958 C2H2O Oxirene oxirene  
959 CH2CO Ketene ch2co  
960 CH2CO+ Ketene cation ch2co+  
961 HCCOH ethynol hccoh  
962 Be(OH)2 Beryllium hydroxide beo2h2  
963 Mg(OH)2 Magnesium dihydroxide h2mgo2  
964 NH2NO Nitrosamide nh2no  
965 CH2O2 Dioxirane diox  
966 H2COO Dioxymethyl radical h2coo  
967 H2COO+ dioxymethyl cation h2coo+  
968 HCOOH Formic acid ch2o2  
969 H2O3 Hydrogen trioxide h2o3  
970 NaOCH3 Sodium methoxide naoch3  
971 CH2BOH hydroxy(methylene)borane ch2boh  
972 BH3CO Borane carbonyl bh3co  
973 CH3BO Borane, methyloxo- ch3bo  
974 CH2CHO Vinyloxy radical ch2cho  
975 CH2COH+ ketene, protonated ch2coh+  
976 CH3CO Acetyl radical ch3co  
977 CH3CO- Acetyl anion ch3co-  
978 CH3CO+ acetyl cation ch3co+  
979 CH2NOH formaldoxime ch2noh  
980 CH3NO nitrosomethane ch3no  
981 CHONH2 formamide formamide  
982 CNOH3 1,2-oxaziridine cnoh3  
983 HOCHNH hydroxymethylimine hochnh  
984 CHSNH2 thioformamide chsnh2  
985 NHCHSH Methanimidothioic acid nhchsh  
986 CH2OOH CH2OOH radical ch2ooh  
987 CH3OO methylperoxy radical ch3oo  
988 CH3OO- methylperoxy anion ch3oo-  
989 CH3OO+ methylperoxy cation ch3oo+  
990 C2H4O Ethylene oxide c2h4o  
991 C2H4O+ ethylene oxide cation c2h4o+  
992 CH2CHOH ethenol ch2choh  
993 CH3CHO Acetaldehyde ch3cho  
994 CH3CHO+ acetaldehyde cation ch3cho+  
995 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
996 C2H4S Thiirane thiirane  
997 CH2CHSH Ethenethiol ch2chsh  
998 CH3CHS Thioacetaldehyde ch3chs  
999 H2CONH2+ protonated formamide h2conh2+  
1000 NH2CHOH+ Formamide, O-protonated nh2choh+  
1001 NH3CHO+ Formamide, N-Protonated nh3cho+  
1002 CH2(OH)2 methanediol ch2o2h2  
1003 CH3OOH Methyl peroxide ch3ooh  
1004 CH3SSH Hydrogen methyl disulfide ch3ssh  
1005 HSCH2SH Methanedithiol ch4s2  
1006 H2OH2CO water formaldehyde dimer h2oh2co  
1007 C2H4OH+ ethylene oxide, protonated c2h4oh+  
1008 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1009 CH3CH2O Ethoxy radical ethoxy  
1010 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1011 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1012 CH3OCH2 methoxymethyl radical ch3och2  
1013 NH2CH2OH aminomethanol nh2ch2oh  
1014 CH3CH2OH Ethanol etoh  
1015 CH3OCH3 Dimethyl ether meome  
1016 CH3CH2SH ethanethiol etsh  
1017 CH3SCH3 Dimethyl sulfide mesme  
1018 CH3SCH3+ dimethyl sulfide cation mesme+  
1019 CH3SeCH3 dimethylselenide dmse  
1020 CH3OHH2O methanol water dimer ch3ohh2o  
1021 H2OCH3OH water methanol dimer h2och3oh  
1022 CuF2 Copper difluoride cuf2  
1023 ZnF2 Zinc difluoride znf2  
1024 CNF iso cyanogen fluoride cnf  
1025 FCN Cyanogen fluoride fcn  
1026 ClCN chlorocyanogen clcn  
1027 BrCN Cyanogen bromide brcn  
1028 ICN Cyanogen iodide icn  
1029 FBO Boron monofluoride monoxide fbo  
1030 BeF2 Beryllium fluoride bef2  
1031 MgF2 Magnesium fluoride mgf2  
1032 BeCl2 Beryllium chloride becl2  
1033 MgCl2 Magnesium dichloride mgcl2  
1034 CaCl2 Calcium Chloride cacl2  
1035 ZnCl2 Zinc dichloride zncl2  
1036 BeBr2 Beryllium bromide bebr2  
1037 CaBr2 Calcium dibromide cabr2  
1038 CaF2 Calcium difluoride caf2  
1039 FCO Carbonyl fluoride fco  
1040 FCO+ Carbonyl fluoride cation fco+  
1041 ClCO carbonyl monochloride clco  
1042 BF2 Boron difluoride radical bf2  
1043 FNO Nitrosyl fluoride fno  
1044 FNS Thionitrosyl fluoride fns  
1045 FSN Thiazyl fluoride fsn  
1046 BrNO Nitrosyl bromide brno  
1047 INO Nitrosyl iodide ino  
1048 CF2 Difluoromethylene cf2  
1049 CF2- Difluoromethylene anion cf2-  
1050 CF2+ Difluoromethylene cation cf2+  
1051 CFCl chlorofluoromethylene cfcl  
1052 SiF2+ Silicon difluoride cation sif2+  
1053 CCl2 dichloromethylene ccl2  
1054 CCl2- dichloromethylene anion ccl2-  
1055 CCl2+ dichloromethylene cation ccl2+  
1056 SiCl2 Dichlorosilylene sicl2  
1057 GeF2 Germanium difluoride gef2  
1058 GeCl2 Germanium dichloride gecl2  
1059 CBr2 dibromomethylene cbr2  
1060 FOO Dioxygen monofluoride radical foo  
1061 FOO+ Fluorine dioxide cation foo+  
1062 ClOO chloroperoxy radical cloo  
1063 ClOO+ chloroperoxy cation cloo+  
1064 OClO- Chlorine dioxide anion oclo-  
1065 OClO+ Chlorine dioxide cation oclo+  
1066 ClS2 Sulfur chloride cls2  
1067 BrOO Bromine dioxide broo  
1068 OBrO Bromine dioxide radical obro  
1069 NF2 Difluoroamino radical nf2  
1070 NF2+ Difluoroamino cation nf2+  
1071 PF2 Phosphorus difluoride pf2  
1072 PF2+ Phosphorus difluoride cation pf2+  
1073 F2O Difluorine monoxide f2o  
1074 SF2- sulfur difluoride anion sf2-  
1075 SF2+ sulfur difluoride cation sf2+  
1076 Cl2O Dichlorine monoxide cl2o  
1077 SeF2 Selenium difluoride sef2  
1078 BrOCl Bromine hypochlorite brocl  
1079 SeCl2 Selenium Dichloride secl2  
1080 SBr2 Sulfur dibromide sbr2  
1081 SeBr2 Selenium dibromide sebr2  
1082 BrOBr Bromine oxide brobr  
1083 F3- trifluoride anion f3-  
1084 Cl3- trichloride anion cl3-  
1085 Br3- tribromide anion br3-  
1086 I3- triiodide i3-  
1087 SFCl Sulfur chloride fluoride sfcl  
1088 HCCF Fluoroacetylene hccf  
1089 HCCF+ fluoroacetylene cation hccf+  
1090 HCCCl Chloroacetylene hcccl  
1091 HCCBr bromoacetylene hccbr  
1092 HFCO formyl fluoride hfco  
1093 HFCO+ formyl fluoride cation hfco+  
1094 COHCl Formyl chloride cohcl  
1095 COHBr Formyl bromide cohbr  
1096 BHF2 Difluoroborane bhf2  
1097 BHCl2 Borane, dichloro- bhcl2  
1098 CHCl2 dichloromethyl radical chcl2  
1099 CHF2 difluoromethyl radical chf2  
1100 CHF2+ difluoromethyl cation chf2+  
1101 CHFCl Chlorofluoromethyl radical chfcl  
1102 CHFCl+ Chlorofluoromethyl cation chfcl+  
1103 CHCl2+ dichloromethyl cation chcl2+  
1104 CHBr2 dibromomethyl radical chbr2  
1105 HOClO Chlorous acid hoclo  
1106 NHF2 difluoramine nhf2  
1107 NHCl2 dichloroamine nhcl2  
1108 CH2F2 Methane, difluoro- ch2f2  
1109 CH2FCl fluorochloromethane ch2fcl  
1110 CH2Cl2 Methylene chloride ch2cl2  
1111 CH2BrF Methane, bromofluoro- ch2fbr  
1112 CH2BrCl Methane, bromochloro- ch2clbr  
1113 CH2FI fluoroiodomethane ch2fi  
1114 CH2Br2 dibromomethane ch2br2  
1115 CH2ClI chloroiodomethane ch2cli  
1116 CH2BrI bromoiodomethane ch2bri  
1117 CH2I2 Diiodomethane ch2i2  
1118 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1119 CH2CHF Ethene, fluoro- ch2chf  
1120 CH2CHF+ fluoroethene cation ch2chf+  
1121 C2H3Cl Ethene, chloro- ch2chcl  
1122 C2H3Br vinyl bromide c2h3br  
1123 C2H3I Vinyl iodide c2h3i  
1124 CH2FOH fluoromethanol ch2foh  
1125 CH3OCl methyl hypochlorite ch3ocl  
1126 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1127 CHClCH3 1-chloroethyl radical chclch3  
1128 C2H5F fluoroethane c2h5f  
1129 CH3CH2Cl Ethyl chloride c2h5cl  
1130 CH3SiFH2 fluoromethylsilane ch3sifh2  
1131 C2H5Br Ethyl bromide etbr  
1132 C2H5I Ethyl iodide c2h5i  
1133 KrF2 Krypton difluoride krf2  
1134 XeF2 Xenon difluoride xef2  
1135 B4H10 Tetraborane(10) b4h10  
1136 C4 Carbon tetramer c4  
1137 C4+ Carbon tetramer cation c4+  
1138 C4H2 Diacetylene c4h2  
1139 C4H2+ diacetlyene cation c4h2+  
1140 C2H3CCH 1-Buten-3-yne c2h3cch  
1141 C4H4 cyclobutadiene cbd  
1142 C4H4 Tetrahedrane c4h4  
1143 H2CCCCH2 Butatriene h2cccch2  
1144 C4H6 1-Methylcyclopropene c3100047  
1145 C4H6 Cyclobutene c822355  
1146 C4H6 Methylenecyclopropane c6142730  
1147 CH2CCHCH3 1,2-Butadiene butad12  
1148 CH2CHCHCH2 1,3-Butadiene c106990  
1149 CH3CCCH3 2-Butyne c503173  
1150 CHCCH2CH3 1-Butyne c107006  
1151 CH3CHCHCH2 methylallyl radical c4h7  
1152 C4H8 methylcyclopropane mcp  
1153 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1154 CH2CHCH2CH3 1-Butene bute1  
1155 CH3CHCHCH3 2-Butene, (E)- bute2e  
1156 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1157 B(CH3)3 trimethylborane bme3  
1158 Al(CH3)3 trimethyl aluminum tma  
1159 C(CH3)3 Tert-butyl radical tbutyl  
1160 CH2CH(CH3)2 Isobutyl radical isobutyl  
1161 CH3CHCH2CH3 2-Butyl radical butyl2  
1162 CH3CH(CH3)CH3 Isobutane isobutane  
1163 CH3CH2CH2CH3 Butane butane  
1164 SiH(CH3)3 trimethylsilane trimsi  
1165 Li3N trilithium nitride li3n  
1166 C2N2 Cyanogen c2n2  
1167 C2N2+ Cyanogen cation c2n2+  
1168 P4 Phosphorus tetramer p4  
1169 As4 Arsenic tetramer as4  
1170 HCCCN Cyanoacetylene hcccn  
1171 HCCCN+ Cyanoacetylene cation hcccn+  
1172 H2CNCN cyanamide, methylene ch2ncn  
1173 HNCCNH Ethenediimine hnccnh  
1174 C3H3N acrylonitrile ch2chcn  
1175 C3H3N+ acrylonitrile cation ch2chcn+  
1176 CH3N3 methyl azide ch3n3  
1177 NH2CCNH2 Diaminoacetylene daa  
1178 NH2CH2CN Aminoacetonitrile aan  
1179 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1180 C2H5CN ethyl cyanide c2h5cn  
1181 CH5N3 Guanidine guanidine  
1182 C4H6 Bicyclo[1.1.0]butane c157335  
1183 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1184 H2NCHCHNH2 diaminoethylene dae  
1185 CH6N3+ guanidinium ch6n3+  
1186 C3H7N Cyclopropylamine cpram  
1187 CH7N3 triaminomethane tam  
1188 C3H7N Azetidine azet  
1189 C4H8 cyclobutane cbutane  
1190 C2H8N2 Ethylenediamine ethdiam  
1191 CH3NHNHCH3 dimethyl hydrazine dmh  
1192 CH3CH(NH2)CH3 2-Propanamine pram2  
1193 N(CH3)3 Trimethylamine trimeam  
1194 NH2CH2CH2CH3 1-Propanamine pram1  
1195 P(CH3)3 trimethylphosphine tmp  
1196 N(SiH3)3 trisilylamine tsa  
1197 As(CH3)3 trimethyl arsine tmas  
1198 (CH3)3NH+ protonated trimethyl amine ptma  
1199 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1200 Li2O2 dilithium dioxide li2o2  
1201 Na2O2 disodium dioxide na2o2  
1202 K2O2 dipotassium dioxide k2o2  
1203 C3O Tricarbon monoxide c3o  
1204 B2O2 Diboron dioxide b2o2  
1205 ONNO NO dimer onno  
1206 CO3 Carbon trioxide co3  
1207 CO3-- carbonate co3--  
1208 CS3-- Carbonotrithioate cs3--  
1209 NO3 Nitrogen trioxide no3  
1210 NO3- nitrate anion no3-  
1211 NO3+ nitrogen trioxide cation no3+  
1212 SO3- Sulfur trioxide anion so3-  
1213 SO3-- Sulfate dianion so3--  
1214 SO3+ Sulfur trioxide cation so3+  
1215 SeO3 selenium trioxide seo3  
1216 S4 Sulfur tetramer s4  
1217 TeO3 Tellurium trioxide teo3  
1218 HCO3- bicarbonate anion hco3-  
1219 HNO3 Nitric acid hno3  
1220 HSO3 Hydroxysulfonyl radical hso3  
1221 NH2NO2 nitramide nh2no2  
1222 C2H2CO cyclopropenone c2h2co  
1223 C3H2O Propadienal c3h2o  
1224 HCCCHO 2-propynal hcccho  
1225 C2H2O2 Ethanedial c2h2o2  
1226 C2H2O2+ Ethanedial cation c2h2o2+  
1227 H2CO3 Carbonic acid h2co3  
1228 H2CS3 thiocarbonic acid h2cs3  
1229 H2NO3+ Nitric Acid, Protonated h2no3+  
1230 H2SO3 Sulfurous acid h2so3  
1231 C2H3NO Nitrosoethylene c2h3no  
1232 CH3NCO methylisocyante ch3nco  
1233 HOCH2CN cyanomethanol hoch2cn  
1234 CH3COO- acetate anion ch3coo-  
1235 CH3NO2 Methane, nitro- ch3no2  
1236 CH3ONO Methyl nitrite ch3ono  
1237 NH2COOH Carbamic acid nh2cooh  
1238 H3BO3 Boric acid h3bo3  
1239 H3AlO3 Aluminum hydroxide h3alo3  
1240 H3CO3+ carbonic acid, protonated h3co3+  
1241 C3H4O 2-Propyn-1-ol c107197  
1242 C3H4O allenol c9000071  
1243 C3H4O Cyclopropanone cpone  
1244 C3H4O Methylketene c6004440  
1245 CH2CHCHO Acrolein c3h4o  
1246 NH2CONH2 Urea urea  
1247 NH2CONH2+ Urea cation urea+  
1248 NH2CSNH2 Thiourea thiourea  
1249 C2H4O2 1,3-dioxetane c2h4o2  
1250 CH3COOH Acetic acid ch3cooh  
1251 CH3OCHO methyl formate ch3ocho  
1252 CHOCH2OH hydroxy acetaldehyde haa  
1253 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1254 NH3COOH+ protonated Carbamic acid nh3cooh+  
1255 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1256 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1257 HCOOHH2O Formic acid water dimer hcoohh2o  
1258 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1259 CH3COCH2 Acetonyl radical ch3coch2  
1260 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1261 CH3C(OH)=NH Ethaninidic acid eia  
1262 CH3CHNOH Acetaldoxime acetaldoxime  
1263 CH3CONH2 Acetamide acetamide  
1264 HCONHCH3 N-methylformamide nmfa  
1265 CH3CSNH2 Ethanethioamide ch3csnh2  
1266 CH5N2O+ urea, N-protonated ch4n2o+  
1267 H2NCOHNH2+ urea, protonated ureah+  
1268 C2H5OO ethylperoxy radical c2h5oo  
1269 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1270 C3H5OH Cyclopropanol cproh  
1271 C3H6O 2-Propen-1-ol c107186  
1272 C3H6O Acetone enol enol  
1273 C3H6O Oxetane oxetane  
1274 C3H6O Propylene oxide prox  
1275 CH3CH2CHO Propanal propanal  
1276 CH3COCH3 Acetone acetone  
1277 CH3COCH3- acetone anion ch3coch3-  
1278 C3H6S Thietane thietane  
1279 C3H6S Thiirane, methyl- methiirane  
1280 CH3CSCH3 Thioacetone ch3csch3  
1281 C2H6O2 1,2-Ethanediol ethdiol  
1282 CH3OOCH3 dimethylperoxide dmp  
1283 CH3SOCH3 Dimethyl sulfoxide dmso  
1284 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1285 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1286 CH3COHCH3+ acetone, protonated acetoneh+  
1287 HOCH2CH2NH2 monoethanolamine mea  
1288 C3H7OH 1-Propanol proh  
1289 CH3CHOHCH3 Isopropyl alcohol isoproh  
1290 CH3OC2H5 Ethane, methoxy- etome  
1291 C3H7SH 1-Propanethiol prsh  
1292 CH3CHSHCH3 2-Propanethiol isoprsh  
1293 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1294 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1295 Li2F2 Lithium fluoride dimer li2f2  
1296 Na2F2 Sodium Fluoride Dimer na2f2  
1297 Na2Cl2 Disodium dichloride na2cl2  
1298 C2F2 difluoroacetylene c2f2  
1299 C2Cl2 dichloroacetylene c2cl2  
1300 C2Cl2+ dichloroacetylene cation c2cl2+  
1301 FNO2 Nitryl fluoride fno2  
1302 FONO Nitrosyl hypofluorite fono  
1303 ClNO2 Nitryl chloride clno2  
1304 ClONO chlorine nitrite clono  
1305 BrONO Bromine nitrite brono  
1306 N2F2 (Z)-Difluorodiazene n2f2_z  
1307 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1308 CF2O Carbonic difluoride f2co  
1309 CF2O+ Carbonic difluoride cation f2co+  
1310 COFCl Carbonic chloride fluoride cofcl  
1311 CCl2O Phosgene cl2co  
1312 Cl2CS Thiophosgene cl2cs  
1313 COBr2 Carbonic dibromide cobr2  
1314 BF3 Borane, trifluoro- bf3  
1315 BF3- Borane, trifluoro- anion bf3-  
1316 BF3+ boron trifluoride cation bf3+  
1317 AlF3 Aluminum trifluoride alf3  
1318 BClF2 Chlorodifluoroborane bclf2  
1319 AlF2Cl Aluminum chloride difluoride alclf2  
1320 ScF3 Scandium trifluoride ScF3  
1321 AlFCl2 Aluminum dichloride fluoride alcl2f  
1322 BCl3 Borane, trichloro- bcl3  
1323 BCl3+ Boron Trichloride cation bcl3+  
1324 GaF3 Gallium trifluoride gaf3  
1325 AlCl3 Aluminum trichloride alcl3  
1326 GaCl3 Gallium trichloride gacl3  
1327 BBr3 Boron tribromide bbr3  
1328 AlBr3 Aluminum Bromide albr3  
1329 ClO3 Chlorine trioxide clo3  
1330 ClO3- chlorate anion clo3-  
1331 BrO3- Bromate anion bro3-  
1332 CF3 Trifluoromethyl radical cf3  
1333 CF3- Trifluoromethyl anion cf3-  
1334 CF3+ Trifluoromethyl cation cf3+  
1335 CF2Cl difluorochloromethyl radical cf2cl  
1336 SiF3 Silicon trifluoride radical sif3  
1337 SiF3+ Silicon trifluoride cation sif3+  
1338 CFCl2 dichlorofluoromethyl radical cfcl2  
1339 CCl3 Trichloromethyl radical ccl3  
1340 CCl3- Trichloromethyl anion ccl3-  
1341 CCl3+ Trichloromethyl cation ccl3+  
1342 SiCl3 trichlorosilyl radical sicl3  
1343 SiCl3+ trichlorosilyl cation sicl3+  
1344 CBr3 tribromomethyl radical cbr3  
1345 FOOF Perfluoroperoxide foof  
1346 ClOOCl Dichlorine dioxide cloocl  
1347 FSSF Difluorodisulfane fssf  
1348 S2F2 Thio-thionyl fluoride s2f2  
1349 SOCl2 thionyl chloride socl2  
1350 SSCl2 Thiothionyl chloride sscl2  
1351 SeOCl2 selenium oxychloride seocl2  
1352 NF3 Nitrogen trifluoride nf3  
1353 NF3- Nitrogen trifluoride anion nf3-  
1354 NF3+ Nitrogen trifluoride cation nf3+  
1355 PF3 Phosphorus trifluoride pf3  
1356 NCl3 nitrogen trichloride ncl3  
1357 AsF3 Arsenic trifluoride asf3  
1358 PCl3 Phosphorus trichloride pcl3  
1359 SbF3 Antimony Trifluoride sbf3  
1360 AsCl3 Arsenous trichloride ascl3  
1361 SbCl3 Antimony Trichloride sbcl3  
1362 NBr3 Nitrogen Tribromide nbr3  
1363 PBr3 Phosphorus tribromide pbr3  
1364 AsBr3 Arsenic tribromide asbr3  
1365 NI3 Nitrogen triiodide ni3  
1366 PI3 Phosphorus triiodide pi3  
1367 ClSSCl Disulfur dichloride s2cl2  
1368 SF3 Sulfur trifluoride sf3  
1369 BrF3 Bromine trifluoride brf3  
1370 IF3 iodone trifluoride if3  
1371 HClO3 Chloric Acid hclo3  
1372 CHF3 Methane, trifluoro- chf3  
1373 CHF2Cl difluorochloromethane chf2cl  
1374 CHFCl2 fluorodichloromethane chfcl2  
1375 CDCl3 trichloromethane-d cdcl3  
1376 CHCl3 Chloroform chcl3  
1377 CHBrF2 Methane, bromodifluoro- chbrf2  
1378 SiHCl3 Trichlorosilane sihcl3  
1379 CHFClBr fluorochlorobromomethane chfclbr  
1380 CHBrCl2 Methane, bromodichloro- chbrcl2  
1381 CHF2I difluoroiodomethane chf2i  
1382 CHBr2F dibromofluoromethane chbr2f  
1383 CHFClI fluorochloroiodomethane chfcli  
1384 CHCl2I dichloroiodomethane chcl2i  
1385 CHClBr2 Methane, dibromochloro- chclbr2  
1386 CHBr3 bromoform chbr3  
1387 CHI3 Iodoform chi3  
1388 NF3H+ protonated nitrogen trifluoride nf3h+  
1389 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1390 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1391 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1392 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1393 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1394 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1395 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1396 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1397 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1398 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1399 C2H2Br2 1,1-dibromoethene c2h2br2  
1400 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1401 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1402 CH2FCHO Fluoroacetaldehyde ch2fcho  
1403 CH3COF Acetyl fluoride ch3cof  
1404 CH2ClCHO chloroacetaldehyde ch2clcho  
1405 CH3COCl Acetyl Chloride ch3cocl  
1406 C2H4F2 1,2-difluoroethane c2h4f2  
1407 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1408 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1409 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1410 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1411 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1412 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1413 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1414 CH2CFCH3 2-fluoropropene 2fpro  
1415 CH2CHCH2F Allyl Fluoride allylf  
1416 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1417 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1418 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1419 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1420 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1421 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1422 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1423 CH2FCH2CH3 1-Fluoropropane prf1  
1424 CH3CHFCH3 2-Fluoropropane prf2  
1425 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1426 CH3CHClCH3 Propane, 2-chloro- prcl2  
1427 CH3CH2CH2Br n-propyl bromide prbr  
1428 CH3CHBrCH3 i-propyl bromide iprbr  
1429 C3H9O+ trimethyl oxonium cation c3h9o+  
1430 B5H9 pentaborane9 b5h9  
1431 C5H4 pentatetraene ptrene  
1432 C5H5 cyclopentadienyl radical c5h5  
1433 C5H5- cylopentadienyl anion c5h5-  
1434 C5H6 1,3-Cyclopentadiene c542927  
1435 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1436 C5H6 3-Penten-1-yne, (E)- c2004695  
1437 C5H6 3-Penten-1-yne, (Z)- c1574409  
1438 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1439 C5H6 Cyclopropylacetylene c6746947  
1440 C5H6 Propellane propellane  
1441 C5H7 1,3-pentadienyl radical pdyl  
1442 C5H7 cyclopentenyl radical cpyl  
1443 C5H8 1,2-Butadiene, 3-methyl- c598254  
1444 C5H8 1,2-Pentadiene c591957  
1445 C5H8 1,3-Butadiene, 2-methyl- c78795  
1446 C5H8 1,3-Pentadiene, (E)- c2004708  
1447 C5H8 1,3-Pentadiene, (Z)- c1574410  
1448 C5H8 1,4-Pentadiene c591935  
1449 C5H8 1-pentyne a1pentyne  
1450 C5H8 2,3-Pentadiene c591968  
1451 C5H8 Bicyclo[1.1.1]pentane bcp  
1452 C5H8 Cyclobutane, methylene- c1120565  
1453 C5H8 Cyclopentene c142290  
1454 C5H8 Ethenylcyclopropane c693867  
1455 CH3CCCH2CH3 2-Pentyne 2pentyne  
1456 C5H10 1-Butene, 2-methyl- c563462  
1457 C5H10 2-Butene, 2-methyl- c513359  
1458 C5H10 2-Pentene, (E)- c646048  
1459 C5H10 2-Pentene, (Z)- c627203  
1460 C5H10 Cyclopentane c287923  
1461 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1462 CH2CHCH2CH2CH3 1-pentene pentene  
1463 C5H11 2-Methylbut-2-yl radical c4348350  
1464 C5H12 Butane, 2-methyl- buta2  
1465 C5H12 Pentane pentane  
1466 C5H12 Propane, 2,2-dimethyl- neopentane  
1467 Si(CH3)4 tetramethylsilane tms  
1468 N2O3 Dinitrogen trioxide n2o3  
1469 C3H2N2 Malononitrile c3h2n2  
1470 CH2N4 1H-Tetrazole 1htz  
1471 C3H3N2 imidazolyl radical im  
1472 C3H3N2- imidizolyl anion im-  
1473 C2H3N3 1H-1,2,4-Triazole c288880  
1474 C4H4N pyrrolide radical c4h4n  
1475 C4H4N- pyrrolide anion c4h4n-  
1476 C3H4N2 1H-Imidazole 1himidaz  
1477 C3H4N2 1H-Pyrazole 1hpyraz  
1478 C3H4N2 2H-Imidazole imid2h  
1479 C3H4N2 4H-Imidazole imid4h  
1480 C4H5N (E)-2-Butenenitrile c627269  
1481 C4H5N (Z)-2-Butenenitrile c1190767  
1482 C4H5N 2H-pyrrole pyrrole2  
1483 C4H5N 3H-pyrrole pyrrole3  
1484 C4H5N Cyclopropanecarbonitrile c5500210  
1485 C4H5N Pyrrole pyrrole  
1486 CH2CHCH2CN Allylcyanide ch2chch2cn  
1487 C4H6N+ pyrrole, alpha-protonated appyr  
1488 C4H6N+ pyrrole, beta-protonated bppyr  
1489 C4H6N+ pyrrole, protonated ppyr  
1490 C3H6N2 3-Aminopropionitrile c151188  
1491 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1492 CH3CH2CH2CN Butanenitrile c109740  
1493 C5H8 Bicyclo[2.1.0]pentane c185944  
1494 C5H8 Spiropentane c157404  
1495 C4H9N Cyclobutylamine cbam  
1496 C4H9N Pyrrolidine pyrrolidine  
1497 C3H10N2 1,2-Diaminopropane diampr12  
1498 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1499 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1500 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1501 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1502 NH(C2H5)2 diethylamine dea  
1503 NC4H12+ tetramethyl ammonium cation nc4h12+  
1504 C3O2 Carbon suboxide c3o2  
1505 C3O2+ Carbon suboxide cation c3o2+  
1506 B2O3 diboron trioxide b2o3  
1507 MgCO3 Magnesium Carbonate mgco3  
1508 BeCO3 Beryllium Carbonate beco3  
1509 CaCO3 Calcium Carbonate caco3  
1510 ONONO Nitrosyl nitrite onono  
1511 PO4--- phosphate po4---  
1512 SO4-- sulfate so4--  
1513 HOONO2 peroxy nitric acid hoono2  
1514 HSO4- bisulfate anion hso4-  
1515 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1516 C3H2O2 Propiolic acid c3h2o2  
1517 CHOCOOH oxo acetic acid oaa  
1518 CHOOCHO diformyl ether choocho  
1519 H2SO4 Sulfuric acid h2so4  
1520 H2SeO4 Selenic acid h2seo4  
1521 C3H3NO Isoxazole isox  
1522 C3H3NO Oxazole oxazole  
1523 C3H3NS Thiazole thiazole  
1524 CH3C(O)OO acetyl peroxy radical ch3coo2  
1525 CH3NO3 Methyl nitrate ch3no3  
1526 H3PO4 Phosphoric Acid h3po4  
1527 C4H4O Furan furan  
1528 C4H4O+ Furan cation furan+  
1529 CH3COCCH 3-butyn-2-one c1423605  
1530 C4H4S Thiophene furans  
1531 C4H4Se selenophene c4h4se  
1532 C3H4O2 β–Propiolactone beta  
1533 C3H4O2 2-Propenoic acid propenoic2  
1534 C3H4O2 Methyl glyoxal megly  
1535 C3H4O2 propanedial propanedial  
1536 C3H4O2 propenalol propenalol  
1537 HOCHCCHOH allenediol aldiol  
1538 C2H4O3 1,2,3-trioxolane c2h4o3  
1539 C2H4O3 trioxolane124 triox  
1540 HOCH2COOH Hydroxyacetic acid hac  
1541 CH2CHCONH2 Acrylamide c79061  
1542 CH3OCH2CN Methoxyacetonitrile c1738369  
1543 CH5N3S Hydrazinecarbothioamide c79196  
1544 H2NCH2COOH Glycine glycine  
1545 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1546 C4H6O cis-2-butenal butenal2c  
1547 C4H6O Cyclobutanone cbutone  
1548 C4H6O Furan, 2,3-dihydro- furan23h  
1549 C4H6O Furan, 2,5-dihydro- furan25h  
1550 CH2CHOCHCH2 Vinyl ether vinylether  
1551 CHOCHCHCH3 2-Butenal butenal2  
1552 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1553 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1554 CH2CHSCHCH2 Divinyl sulfide divis  
1555 C2H6N2O Urea, methyl- c598505  
1556 C3H6O2 1,3-Dioxolane dioxolane  
1557 CH3CH2COOH Propanoic Acid propanoic  
1558 CH3COOCH3 methyl acetate aame  
1559 HCOOC2H5 Ethyl formate faee  
1560 C2H6O2S Dimethyl sulfone c67710  
1561 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1562 C3H7NO dimethylformamide dmf  
1563 C3H7NO Propanamide propanam  
1564 C2H3OC2H5 Ethene, ethoxy- c109922  
1565 C4H8O Cyclobutanol c2919235  
1566 C4H8O Furan, tetrahydro- thf  
1567 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1568 CH3COCH2CH3 2-Butanone buta2one  
1569 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1570 CHOCH2CH2CH3 Butanal butanal  
1571 C4H8S Thiophene, tetrahydro- tht  
1572 C3H8O2 1,3-Propanediol c504632  
1573 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1574 C3H8O2 Methane, dimethoxy- c109875  
1575 C3H8O2 Propylene glycol c57556  
1576 C3H8S2 1,3-Propanedithiol c109808  
1577 C4H10O 1-Butanol butanol1  
1578 C4H10O 1-Propanol, 2-methyl- c78831  
1579 C4H10O 2-Butanol, (.+/-.)- butanol2  
1580 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1581 C4H10O Ethoxy ethane etoet  
1582 C4H10O Methyl propyl ether meopr  
1583 C4H10O Propane, 2-methoxy- c598538  
1584 C4H10O+ 1-Butanol cation butanol1+  
1585 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1586 C2H5SC2H5 Diethyl sulfide etset  
1587 C4H9SH 1-Butanethiol bush  
1588 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1589 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1590 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1591 FNO3 Fluorine nitrate fno3  
1592 ClONO2 Chlorine nitrate clono2  
1593 BrONO2 Bromine nitrate brono2  
1594 TiCl4 Titanium tetrachloride ticl4  
1595 ClO4- perchlorate anion clo4-  
1596 BF4- tetrafluoroboron anion bf4-  
1597 ClFO3 Perchloryl fluoride clfo3  
1598 SO2F2 Sulfuryl fluoride so2f2  
1599 SO2Cl2 Sulfuryl chloride so2cl2  
1600 F3NO Nitrogen trifluoride oxide f3no  
1601 F3PO Phosphoryl fluoride pf3o  
1602 Cl3PO Phosphoryl chloride pcl3o  
1603 CF4 Carbon tetrafluoride cf4  
1604 CF3Cl Methane, chlorotrifluoro- cf3cl  
1605 SiF4 Silicon tetrafluoride sif4  
1606 CF2Cl2 difluorodichloromethane cf2cl2  
1607 TiF4 Titanium tetrafluoride tif4  
1608 CFCl3 Trichloromonofluoromethane cfcl3  
1609 CF3Br Bromotrifluoromethane cf3br  
1610 GeF4 Germanium tetrafluoride gef4  
1611 CCl4 Carbon tetrachloride ccl4  
1612 CCl4+ Carbon tetrachloride cation ccl4+  
1613 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1614 SiCl4 Silane, tetrachloro- sicl4  
1615 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1616 CF3I trifluoroiodomethane cf3i  
1617 CBrCl3 Methane, bromotrichloro- cbrcl3  
1618 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1619 GeCl4 Germanium Tetrachloride gecl4  
1620 CBr2ClF dibromochlorofluoromethane cbr2clf  
1621 CBr2Cl2 dibromodichloromethane cbr2cl2  
1622 CCl3I trichloroiodomethane ccl3i  
1623 CFBr3 fluorotribromomethane cfbr3  
1624 CFClBrI fluorochlorobromoiodomethane cfclbri  
1625 CBr3Cl tribromochloromethane cbr3cl  
1626 CF2I2 difluorodiiodomethane cf2i2  
1627 CBr4 Carbon tetrabromide cbr4  
1628 CCl2I2 dichlorodiiodomethane ccl2i2  
1629 SiBr4 Silicon tetrabromide sibr4  
1630 CBr3I tribromoiododmethane cbr3i  
1631 GeBr4 Germanium tetrabromide gebr4  
1632 CI4 tetraiodomethane ci4  
1633 SiI4 silicon tetraiodide sii4  
1634 ClOF3 Chlorine trifluoride oxide clof3  
1635 SF4 Sulfur tetrafluoride sf4  
1636 SeF4 Selenium tetrafluoride sef4  
1637 SCl4 Sulfur tetrachloride scl4  
1638 C2HF3 Trifluoroethylene c2hf3  
1639 C2HF3+ Trifluoroethylene cation c2hf3+  
1640 CHClCCl2 Trichloroethylene chclccl2  
1641 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1642 HClO4 perchloric acid hclo4  
1643 HSO3F Fluorosulfonic acid hso3f  
1644 CF3OH trifluoromethanol cf3oh  
1645 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1646 CHClCCHCl 1,3-dichloroallene chclcchcl  
1647 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1648 CHCl2CHO dichloroacetaldehyde chcl2cho  
1649 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1650 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1651 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1652 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1653 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1654 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1655 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1656 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1657 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1658 NH3BCl3 Amminetrichloroboron nh3bcl3  
1659 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1660 C3H5ClO Oxirane, (chloromethyl)- c106898  
1661 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1662 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1663 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1664 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1665 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1666 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1667 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1668 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1669 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1670 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1671 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1672 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1673 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1674 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1675 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1676 C4H9F 1-fluorobutane butaf1  
1677 CH3CHFCH2CH3 2-fluorobutane butaf2  
1678 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1679 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1680 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1681 XeF4 Xenon tetrafluoride xef4  
1682 C2H2N2O Furazan furazan  
1683 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1684 NH3BF3 Amminetrifluoroboron nh3bf3  
1685 C6H2 hexatriyne c6h2  
1686 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1687 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1688 C6H4 Benzyne benzyne  
1689 C6H5 phenyl phenyl  
1690 C6H5- phenyl anion phenyl-  
1691 C6H6 Prismane prismane  
1692 C6H6 1,2,4,5-Hexatetraene ht1245  
1693 C6H6 2,4-Hexadiyne hexadiyne  
1694 C6H6 3,4-Dimethylenecyclobutene cb34m  
1695 C6H6 Benzene benzene  
1696 C6H6 Benzvalene bv  
1697 C6H6 Dewar Benzene dewar  
1698 C6H6 Hexa-1,5-diene-3-yne hdy153  
1699 C6H6 Trimethylenecycopropane tmcp  
1700 C6H6+ Benzene cation c6h6+  
1701 C6H7+ benzene, protonated c6h7+  
1702 C6H8 (E)-hexa-1,3,5-triene c821078  
1703 C6H8 (E)-hexa-2,3,4-triene c59660650  
1704 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1705 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1706 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1707 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1708 C6H8 3-Methylenecyclopentene c930267  
1709 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1710 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1711 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1712 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1713 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1714 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1715 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1716 C6H10 1,5-Hexadiene c592427  
1717 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1718 C6H10 1-Hexyne hexyne1  
1719 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1720 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1721 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1722 C6H10 2-Hexyne c764352  
1723 C6H10 3-Hexyne hexyne3  
1724 C6H10 cyclohexene cyclohexene  
1725 C6H10 Cyclopentene, 1-methyl- c693890  
1726 C6H10 Cyclopentene, 3-methyl- c1120623  
1727 C6H10 Cyclopentene, 4-methyl- c1759815  
1728 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1729 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1730 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1731 C6H12 (E)-2-Hexene e2hexene  
1732 C6H12 (E)-3-methylpent-2-ene c616126  
1733 C6H12 (E)-hex-3-ene e3hexene  
1734 C6H12 (Z)-3-methylpent-2-ene c922623  
1735 C6H12 (Z)-hex-2-ene z2hexene  
1736 C6H12 (Z)-hex-3-ene z3hexene  
1737 C6H12 2,3-dimethylbut-1-ene c563780  
1738 C6H12 2,3-dimethyl-but-2-ene tmeet  
1739 C6H12 3-methylenepentane c760214  
1740 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1741 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1742 C6H12 Cyclohexane cyclohexane  
1743 C6H12 Cyclopentane, methyl- c96377  
1744 C6H12 Ethylcyclobutane c4806615  
1745 C6H12 hex-1-ene hexene1  
1746 C6H14 Butane, 2,2-dimethyl- buta22  
1747 C6H14 Butane, 2,3-dimethyl- buta23  
1748 C6H14 Hexane hexane  
1749 C6H14 Pentane, 2-methyl- penta2  
1750 C6H14 Pentane, 3-methyl- penta3  
1751 C4N2 2-Butynedinitrile c4n2  
1752 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1753 C4H2N2 Fumaronitrile c4h2n2  
1754 C2H2N4 sym-tetrazine ttz  
1755 C3H3N3 1,3,5-Triazine triazine135  
1756 CH3N5 5-Aminotetrazole c4418615  
1757 C4H4N2 1,3-Diazine diazine13  
1758 C4H4N2 Pyrazine pyrazine  
1759 C4H4N2 Pyridazine pyridazine  
1760 C4H4N2 Succinonitrile c110612  
1761 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1762 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1763 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1764 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1765 C5H5N E-2,4-pentadienenitrile bdcn  
1766 C5H5N Pyridine pyridine  
1767 B3N3H6 borazine borazine  
1768 C6H6 Fulvene fulvene  
1769 C5H6N+ Pyridinium c5h6n  
1770 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1771 C5H7N (E)-2-Pentenenitrile c26294984  
1772 C5H7N (E)-3-Pentenenitrile c16529661  
1773 C5H7N (Z)-2-Pentenenitrile c25899507  
1774 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1775 C5H7N Cyclobutanecarbonitrile c4426113  
1776 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1777 C5H9N Butanenitrile, 2-methyl- c18936179  
1778 C5H9N Pentanenitrile c110598  
1779 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1780 C6H10 Bicyclo[3.1.0]hexane c285585  
1781 C5H11N Cyclopentanamine cypentam  
1782 C5H11N Piperidine piper  
1783 C4H12N2 1,2-Butanediamine c4426486  
1784 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1785 Li2CO3 Lithium Carbonate li2co3  
1786 Na2CO3 Sodium Carbonate na2co3  
1787 C2O4-- oxalate anion c2o4  
1788 MgSO4 Magnesium Sulfate mgso4  
1789 N2O4 Dinitrogen tetroxide n2o4  
1790 C3H2O3 vinylene carbonate vica  
1791 C2H2O4 Oxalic Acid oxalic  
1792 C2H3NO3 Oxamic acid oxamic  
1793 C4H4O2 2(5H)-Furanone furanone  
1794 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1795 C2H4N2O2 Oxalamide oxalamide  
1796 C2H4N2S2 Ethanedithioamide c79403  
1797 C2H4CO3 Ethylene carbonate etco3  
1798 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1799 C3H4S3 1,3-Dithiolane-2-thione c822388  
1800 C2H4O4 Formic acid dimer fadimer  
1801 C4H5NO 3-Methylisoxazole isox3m  
1802 C4H5NO Isoxazole, 5-methyl- c5765446  
1803 C4H5NS 4-Methylthiazole c693958  
1804 C2H5NO3 Nitric acid, ethyl ester c625581  
1805 C5H6O 2H-Pyran pyran2  
1806 C5H6O 2-methylfuran furan2m  
1807 C5H6O 3-Methylfuran furan3m  
1808 C5H6O Pentadienal pdal  
1809 C5H6S Thiophene, 2-methyl- c554143  
1810 C5H6S Thiophene, 3-methyl- c616444  
1811 C4H6O2 γ–Butyrolactone c96480  
1812 C4H6O2 2,3-Butanedione c431038  
1813 C4H6O2 2-Propenoic acid, methyl ester c96333  
1814 C4H6O2 Crotonic Acid crot  
1815 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1816 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1817 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1818 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1819 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1820 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1821 C4H6OS Vinyl sulfoxide c1115157  
1822 CH6N4S Carbonothioic dihydrazide thiacarb  
1823 C2H6N2O2 (E)-Azodioxymethane c37765154  
1824 C2H6N2O2 Dimethylnitroamine c4164287  
1825 C3H6O3 1,3,5-Trioxane trioxane  
1826 C3H6S3 1,3,5-Trithiane c3h6s3  
1827 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1828 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1829 C4H7NO 2-Pyrrolidinone c616455  
1830 C4H7NO Ethoxyacetonitrile etoaccn  
1831 C4H7NO Methacrylamide c79390  
1832 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1833 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1834 C3H7ONO Propyl nitrite prono  
1835 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1836 CH3CH(NH2)COOH Alanine alanine  
1837 CH3NHCH2COOH Sarcosine sarcosine  
1838 NH2CH2CH2COOH β–alanine betaalanine  
1839 NH2COOC2H5 Urethane urethane  
1840 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1841 C5H8O Cyclopentanone c120923  
1842 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1843 C5H8O Methyl cyclopropyl ketone c765435  
1844 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1845 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1846 NH2CONHC2H5 Urea, ethyl- c625525  
1847 C4H8O2 1,3-Dioxane dioxan13  
1848 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1849 C4H8O2 1,4-Dioxane dioxan14  
1850 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1851 C4H8O2 Ethyl acetate c141786  
1852 C4H8OS s-Ethyl thioacetate c625605  
1853 C3H8O3 1,2,3-Propanetriol glycerin  
1854 C3H8O2S (Methylsulfonyl)ethane c594434  
1855 C4H9NO Butanamide c541355  
1856 C4H9NO Propanamide, 2-methyl- c563837  
1857 C5H10O 2-Butanone, 3-methyl- c563804  
1858 C5H10O 2H-Pyran, tetrahydro- c142687  
1859 C5H10O 2-methylbutyraldehyde 2meba  
1860 C5H10O 2-Pentanone mpk  
1861 C5H10O 3-Pentanone dek  
1862 C5H10O Cyclopentanol c96413  
1863 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1864 C5H10O Pentanal pal  
1865 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1866 C5H10S 3-Ethylthio-1-propene c5296628  
1867 C5H10S Cyclopentanethiol c1679078  
1868 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1869 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1870 C4H10O2 1,1-Dimethoxyethane c534156  
1871 C4H10O2 1,3-Butanediol budiol13  
1872 C4H10O2 1,4-Butanediol budiol14  
1873 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1874 C4H10OS Diethyl sulfoxide c70291  
1875 C4H10S2 1,4-Butanedithiol budisl14  
1876 C4H11NO Diethylhydroxylamine c3710847  
1877 C5H12O 1-Butanol, 2-methyl- c137326  
1878 C5H12O 1-Butanol, 3-methyl- c123513  
1879 C5H12O 1-Pentanol pentanol1  
1880 C5H12O 2-Butanol, 3-methyl- c598754  
1881 C5H12O 2-Pentanol peol2  
1882 C5H12O 3-Pentanol pentan3ol  
1883 C5H12O Butane, 1-methoxy- meobu  
1884 C5H12O Propane, 1-ethoxy- proet  
1885 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1886 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1887 C5H12S 1-Butanethiol, 3-methyl- c541311  
1888 C5H12S 1-Pentanethiol c110667  
1889 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1890 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1891 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1892 C5H12S Butane, 1-(methylthio)- c628295  
1893 C5H12S Ethyl propyl sulfide c4110503  
1894 C5H12S Propane, 2-(ethylthio)- c5145993  
1895 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1896 C4F2 difluorobutadiyne c4f2  
1897 ClCOClCO Oxalyl chloride oxcl  
1898 CF3CN Acetonitrile, trifluoro- cf3cn  
1899 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1900 B2F4 Diboron tetrafluoride b2f4  
1901 B2Cl4 Diboron tetrachloride b2cl4  
1902 C2F4 Tetrafluoroethylene c2f4  
1903 C2F4+ Tetrafluoroethylene cation c2f4+  
1904 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1905 CF2CCl2 difluorodichloroethylene cf2ccl2  
1906 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1907 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1908 C2FCl3 fluorotrichloroethene c2fcl3  
1909 C2Cl4 Tetrachloroethylene c2cl4  
1910 C2Br4 tetrabromoethene c2br4  
1911 CF3OF Trifluoromethylhypofluorite cf3of  
1912 SOF4 Sulfur tetrafluoride oxide sof4  
1913 PF5 Phosphorus pentafluoride pf5  
1914 AsF5 Arsenic pentafluoride asf5  
1915 PCl5 Phosphorus pentachloride pcl5  
1916 SF5 Sulfur pentafluoride sf5  
1917 SF5+ pentafluoro sulfur cation sf5+  
1918 SbCl5 Antimony pentachloride sbcl5  
1919 BrF5 bromine pentafluoride brf5  
1920 ClF5 chlorinepentafluoride clf5  
1921 IF5 pentafluoroiodine if5  
1922 CF3CHO trifluoroacetaldehyde cf3cho  
1923 CCl3CHO trichloroacetaldehyde ccl3cho  
1924 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1925 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1926 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1927 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1928 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1929 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1930 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1931 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1932 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1933 CF3COOH trifluoroacetic acid cf3cooh  
1934 C4H3ClO Furan, 2-chloro fur2cl  
1935 C4H3ClO Furan,3-chloro fur3cl  
1936 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1937 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1938 C4H8Cl2 1,4-Dichlorobutane c110565  
1939 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1940 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1941 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1942 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1943 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1944 C5H11Cl Pentane, 1-chloro- pencl1  
1945 C4H8O2 Butanoic acid bua  
1946 C6H5CH2 benzyl radical benzyl  
1947 C7H7 cycloheptatrienyl radical c7h7  
1948 C7H7+ cycloheptatrienyl cation c7h7+  
1949 C6H5CH3 toluene toluene  
1950 C7H8 cycloheptatriene cht  
1951 C7H8 Norbornadiene norbor  
1952 C7H8 Quadricyclane qucy  
1953 C7H12 Norbornane nor  
1954 C7H14 cycloheptane c7h14  
1955 C7H16 2-methylhexane 2mhex  
1956 C7H16 3-methylhexane hex3m  
1957 C7H16 heptane heptane  
1958 CH(CN)3 tricyanomethane mecn3  
1959 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1960 C6H7N 2-Methylpyridine mp  
1961 C6H5NH2 aniline aniline  
1962 C6H13N 2-Methylpiperidine pip2m  
1963 C6H13N cyclohexanamine cham  
1964 C6H15N triethylamine tea  
1965 N2O5 Dinitrogen pentoxide n2o5  
1966 C4H2O3 Maleic Anhydride malan  
1967 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1968 C5H4O2 furfural furfural  
1969 C6H5O phenoxy radical phenoxy  
1970 C5H5NO 2(1H)-Pyridinone c72762006  
1971 C5H5NO 2(3H)-Pyridinone c9000048  
1972 C5H5NO 2(5H)-Pyridinone c9000037  
1973 C5H5NO 2-Pyridinol c109104  
1974 C5H5NO 3(2H)-Pyridinone c9000004  
1975 C5H5NO 3(4H)-Pyridinone c9000026  
1976 C5H5NO 3(6H)-Pyridinone c9000015  
1977 C5H5NO 3-Pyridinol c109002  
1978 C5H5NO 4(1H)-Pryidinone c9000060  
1979 C5H5NO 4(3H)-Pryidinone c9000059  
1980 C5H5NO 4-Pyridinol c626642  
1981 C6H5OH phenol phenol  
1982 C6H6O 2,4-Cyclohexadienone c24599573  
1983 C6H6O 2,5-Cyclohexadienone c5664335  
1984 C6H5SH Benzenethiol phsh  
1985 HO2CCHNH2CH2OH Serine serine  
1986 C5H8O2 Acetylacetone acac  
1987 C4H8O2S Sulfolane sulfolane  
1988 C7H10 Norbornene norbornene  
1989 CH(C2H3)3 trivinyl methane tvm  
1990 C6H10O cyclohexanone chexo  
1991 C6H12O hexanal c6h12o  
1992 C6H12O Oxepane oxepane  
1993 C3H7OC3H7 di-n-propyl ether propr  
1994 F2CCCF2 tetrafluoroallene pfa  
1995 CF3COO- trifluoro acetate anion cf3coo-  
1996 CF3COF trifluoroacetyl fluoride cf3cof  
1997 CF3COCl trifluoroacetyl chloride cf3cocl  
1998 PF6 Hexafluorophosphate neutral pf6  
1999 PF6- Hexafluorophosphate ion pf6-  
2000 SF6 Sulfur Hexafluoride sf6  
2001 SeF6 Selenium hexafluoride sef6  
2002 CF3CHF2 pentafluoroethane cf3chf2  
2003 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
2004 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2005 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2006 CCl3CHCl2 pentachloroethane ccl3chcl2  
2007 C6H5F Fluorobenzene bzf  
2008 C6H5Cl chlorobenzene bzcl  
2009 C6H5Br bromobenzene bzbr  
2010 C8H6 Calicene calicene  
2011 C6H5CCH phenylacetylene phac  
2012 C8H6 benzocyclobutadiene bcbd  
2013 C8H6 Pentalene pentalene  
2014 C6H5CHCH2 Styrene styrene  
2015 C8H8 cubane cubane  
2016 C8H8 cyclooctatetraene cot  
2017 C6H5CH2CH3 Ethylbenzene etbz  
2018 CH3C6H4CH3 meta-xylene mxylene  
2019 CH3C6H4CH3 paraxylene pxylene  
2020 C8H14 Bicyclo[2.2.2]octane bico222  
2021 C8H16 cyclooctane cyclooct  
2022 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2023 C8H18 Octane c8h18  
2024 C6H5CN phenyl cyanide phcn  
2025 C6H12N2 Triethylenediamine ted  
2026 C4O4-- squarate dianion c4o4--  
2027 S4N4 Tetrasulfur tetranitride s4n4  
2028 S8 Octasulfur s8  
2029 C6H4O2 parabenzoquinone pbq  
2030 C4H4N2O2 Uracil uracil  
2031 C6H5CHO benzaldehyde benzal  
2032 C6H5OCH3 Anisole anisole  
2033 C5H9NO2 Proline proline  
2034 C6H12O2 Methyl pivalate c598981  
2035 C6H12O2 Hexanoic acid hexa  
2036 C4F4 tetrafluorcyclobutadiene c4f4  
2037 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2038 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2039 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2040 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2041 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2042 C2F6 hexafluoroethane c2f6  
2043 C2Cl6 hexachloroethane c2cl6  
2044 IF7 Iodine heptafluoride if7  
2045 C6H4F2 metadifluorobenzene mdfb  
2046 C6H4F2 orthodifluorobenzene odfb  
2047 C6H4F2 1,4-difluorobenzene pdfb  
2048 C6H4Cl2 1,2-dichlorobenzene dcb12  
2049 C6H4Cl2 1,3-dichlorobenzene dcb13  
2050 C6H4Cl2 1,4-dichlorobenzene dcb14  
2051 C6H5NO nitrosobenzene bzno  
2052 C9H8 Indene indene  
2053 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2054 C9H12 n-propyl benzene prbz  
2055 C9H20 Nonane nonane  
2056 C(CN)4 tetracyanomethane c5n4  
2057 C5H4N4 purine purine  
2058 C8H7N Indole indole  
2059 C3H3N3O3 cyanuric acid cyanuric  
2060 C6H5NO2 Nitrobenzene c6h5no2  
2061 C6H5COOH benzoic acid benzo  
2062 CH3COC6H5 acetophenone acph  
2063 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2064 C3F6 hexafluoropropene c3f6  
2065 C6H3F3 Benzene trifluoride 123 bzf3a  
2066 C8H18O 1-Octanol octanol  
2067 C10H8 Azulene azu  
2068 C10H8 naphthalene naph  
2069 C10H10 bullvalene bullv  
2070 C10H16 adamantane adamantane  
2071 C6N4 Tetracyanoethylene tcne  
2072 C6N4- tetracyanoethylene anion tcne-  
2073 C10H22 Decane decane  
2074 C4F6 perfluorobutadiene c4f6  
2075 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2076 C3F8 perfluoropropane c3f8  
2077 Fe(CO)5 Iron pentacarbonyl ipc  
2078 Fe(C5H5)2 ferrocene fecp2  
2079 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2080 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2081 C12H8 Acenaphthylene acenaph  
2082 C12H8 biphenylene biph  
2083 C12H10 biphenyl biphenyl  
2084 C12H10 Heptalene heptalene  
2085 C6H12O6 Inositol inositol  
2086 C6F6 hexafluorobenzene c6f6  
2087 S2F10 disulphur decafluoride s2f10  
2088 C13H10 Fluorene fluorene  
2089 C14H10 Anthracene anth  
2090 C14H10 Phenanthrene phenanthrene  
2091 C14H14 Bibenzyl bibenzyl  
2092 C12H10N2 azobenzene azobenzene  
2093 C6H5COC6H5 benzophenone benzophenone  
2094 C16H10 Pyrene pyrene  
2095 C18H12 Tetracene tetracene  
2096 C19H16 Triphenylmethane tpm  
2097 C24H12 Coronene coronene  
2098 C60 Buckminsterfullerene c60