[7-acetamido-1,2-dimethoxy-3-(4-methylphenyl)sulfonyloxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-10-yl] 4-methylbenzenesulfonate

Systemtic Name: [7-acetamido-1,2-dimethoxy-3-(4-methylphenyl)sulfonyloxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-10-yl] 4-methylbenzenesulfonate Openeye Name: [7-acetamido-1,2-dimethoxy-9-oxo-3-(p-tolylsulfonyloxy)-6,7-dihydro-5H-benzo[a]heptalen-10-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [7-acetamido-1,2-dimethoxy-3-(4-methylphenyl)sulfonyloxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl] ester IUPAC Name: [7-acetamido-1,2-dimethoxy-3-(4-methylphenyl)sulfonyloxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (7-acetamido-9-keto-1,2-dimethoxy-3-tosyloxy-6,7-dihydro-5H-benzo[a]heptalen-10-yl) ester Formula: C34H33NO10S2 MolecularWeight: 679.75652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C3C(=CC2=O)C(CCC4=CC(=C(C(=C43)OC)OC)OS(=O)(=O)C5=CC=C(C=C5)C)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C3C(=CC2=O)C(CCC4=CC(=C(C(=C43)OC)OC)OS(=O)(=O)C5=CC=C(C=C5)C)NC(=O)C

InChI

InChI=1S/C34H33NO10S2/c1-20-6-11-24(12-7-20)46(38,39)44-30-17-15-26-27(19-29(30)37)28(35-22(3)36)16-10-23-18-31(33(42-4)34(43-5)32(23)26)45-47(40,41)25-13-8-21(2)9-14-25/h6-9,11-15,17-19,28H,10,16H2,1-5H3,(H,35,36)