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Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
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Found 338 results

Search term: C21H22O2 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
240077

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H22O2/c22-20-14-8-7-13-18(20)19(16-9-3-1-4-10-16)15-21(23)17-11-5-2-6-12-17/h1-6,9-12,18-19H,7-8,13-15H2
C21H22O2306.3982413200
2106005

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C21H22O2/c1-13(2)21(22)23-12-14-11-19-15-7-3-5-9-17(15)20(14)18-10-6-4-8-16(18)19/h3-10,13-14,19-20H,11-12H2,1-2H3
C21H22O2306.3981812900
4274103
InChI=1/C21H22O2/c1-23-20(22)21(15-9-3-2-4-10-15)18-13-7-5-11-16(18)17-12-6-8-14-19(17)21/h5-8,11-15H,2-4,9-10H2,1H3
C21H22O2306.3981812900
4643216

Double-bond stereo
InChI=1/C21H22O2/c1-14(2)16-6-4-15(5-7-16)12-18-9-8-17-13-19(23-3)10-11-20(17)21(18)22/h4-7,10-14H,8-9H2,1-3H3/b18-12+
C21H22O2306.398211900
191026

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H22O2/c1-3-17-19(15-11-7-5-8-12-15)21(23,18(4-2)20(17)22)16-13-9-6-10-14-16/h5-14,18,23H,3-4H2,1-2H3
C21H22O2306.3982111000
2031311

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C21H22O2/c1-20(2)16-11-12-21(20,3)19(23)17(16)18(22)15-10-6-8-13-7-4-5-9-14(13)15/h4-10,16-17H,11-12H2,1-3H3
C21H22O2306.3981810700
341799

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H22O2/c22-12-13-4-5-16-9-21(10-17(16)6-13)11-18-7-14-2-1-3-15(14)8-19(18)20(21)23/h4-8,20,22-23H,1-3,9-12H2
C21H22O2306.39829700
339038
InChI=1/C21H22O2/c1-23-21(22)20-8-3-2-5-17(20)9-14-10-18-12-15-6-4-7-16(15)13-19(18)11-14/h2-3,5,8,12-14H,4,6-7,9-11H2,1H3
C21H22O2306.39828600
339085
InChI=1/C21H22O2/c1-23-20(22)21(13-18-5-2-3-6-19(18)14-21)12-15-9-10-16-7-4-8-17(16)11-15/h2-3,5-6,9-11H,4,7-8,12-14H2,1H3
C21H22O2306.39828600
339132
InChI=1/C21H22O2/c1-23-20(22)9-7-15-6-8-18-13-21(14-19(18)10-15)11-16-4-2-3-5-17(16)12-21/h2-6,8,10H,7,9,11-14H2,1H3
C21H22O2306.39828600
340903
InChI=1/C21H22O2/c1-23-20(22)21(12-15-6-3-2-4-7-15)13-18-10-16-8-5-9-17(16)11-19(18)14-21/h2-4,6-7,10-11H,5,8-9,12-14H2,1H3
C21H22O2306.39828600
341748

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H22O2/c1-23-21(22)19-7-3-2-5-16(19)11-14-12-17-10-9-15-6-4-8-18(15)20(17)13-14/h2-3,5,7,9-10,14H,4,6,8,11-13H2,1H3
C21H22O2306.39828600
9241892

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H22O2/c22-18-8-9-20-16(12-18)6-7-17-13-19(23)10-11-21(17,20)14-15-4-2-1-3-5-15/h1-5,8-9,12,17,22H,6-7,10-11,13-14H2/t17-,21+/m1/s1
C21H22O2306.39828500
9956421

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H22O2/c22-19(23)11-17-16-9-8-15-14(12-4-2-1-3-5-12)7-6-13-10-18(17)21(16)20(13)15/h1-9,13-18,20-21H,10-11H2,(H,22,23)/t13-,14+,15+,16-,17-,18+,20-,21-/m1/s1
C21H22O2306.39828908
22947318

Double-bond stereo
InChI=1/C21H22O2/c1-2-3-6-13-23-19-11-9-16(10-12-19)14-18-15-17-7-4-5-8-20(17)21(18)22/h4-5,7-12,14H,2-3,6,13,15H2,1H3/b18-14+
C21H22O2306.39828600
48059932
InChI=1/C21H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h2,5,8,11,14,17-20H2,1H3,(H,22,23)
C21H22O2306.39827800
8216375
InChI=1/C21H22O2/c1-3-9-21(10-4-2)19-11-15(13-22)5-7-17(19)18-8-6-16(14-23)12-20(18)21/h5-8,11-14H,3-4,9-10H2,1-2H3
C21H22O2306.39827600
4046691

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H22O2/c1-14-20(2,3)16-11-12-21(14,13-16)19(22)23-18-10-6-8-15-7-4-5-9-17(15)18/h4-10,16H,1,11-13H2,2-3H3
C21H22O2306.398186500
4046694

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H22O2/c1-14-20(2,3)17-10-11-21(14,13-17)19(22)23-18-9-8-15-6-4-5-7-16(15)12-18/h4-9,12,17H,1,10-11,13H2,2-3H3
C21H22O2306.398186500
116101

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C21H22O2/c1-21-11-10-15-16-7-6-13-4-2-3-5-14(13)20(16)23-12-17(15)18(21)8-9-19(21)22/h2-7,18-19,22H,8-12H2,1H3/t18-,19?,21-/m0/s1
C21H22O2306.39826500
12345

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