dimethyl 6-methyl-5-(phenylsulfonyl)-8,9-dihydrobenzo[7]annulene-7,7-dicarboxylate

Systemtic Name: dimethyl 6-methyl-5-(phenylsulfonyl)-8,9-dihydrobenzo[7]annulene-7,7-dicarboxylate Openeye Name: dimethyl 5-(benzenesulfonyl)-6-methyl-8,9-dihydrobenzo[7]annulene-7,7-dicarboxylate CAS Name: 5-(benzenesulfonyl)-6-methyl-8,9-dihydrobenzo[7]annulene-7,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(benzenesulfonyl)-6-methyl-8,9-dihydrobenzo[7]annulene-7,7-dicarboxylate Traditional Name: 5-besyl-6-methyl-8,9-dihydrobenzocycloheptene-7,7-dicarboxylic acid dimethyl ester Formula: C22H22O6S MolecularWeight: 414.47148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2CCC1(C(=O)OC)C(=O)OC)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=CC=CC=C2CCC1(C(=O)OC)C(=O)OC)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H22O6S/c1-15-19(29(25,26)17-10-5-4-6-11-17)18-12-8-7-9-16(18)13-14-22(15,20(23)27-2)21(24)28-3/h4-12H,13-14H2,1-3H3