[2-[[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexylidene]methyl]-1H-indol-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-[[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexylidene]methyl]-1H-indol-3-yl] 4-methylbenzenesulfonate Openeye Name: [2-[(4,4-dimethyl-2,6-dioxo-cyclohexylidene)methyl]-1H-indol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]-1H-indol-3-yl] ester IUPAC Name: [2-[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]-1H-indol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[(2,6-diketo-4,4-dimethyl-cyclohexylidene)methyl]-1H-indol-3-yl] ester Formula: C24H23NO5S MolecularWeight: 437.50812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(NC3=CC=CC=C32)C=C4C(=O)CC(CC4=O)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(NC3=CC=CC=C32)C=C4C(=O)CC(CC4=O)(C)C

InChI

InChI=1S/C24H23NO5S/c1-15-8-10-16(11-9-15)31(28,29)30-23-17-6-4-5-7-19(17)25-20(23)12-18-21(26)13-24(2,3)14-22(18)27/h4-12,25H,13-14H2,1-3H3