[5,5-dimethyl-2-[2-oxidanyl-1,3-bis(oxidanylidene)inden-2-yl]-3-oxidanylidene-cyclohexen-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [5,5-dimethyl-2-[2-oxidanyl-1,3-bis(oxidanylidene)inden-2-yl]-3-oxidanylidene-cyclohexen-1-yl] 4-methylbenzenesulfonate Openeye Name: [2-(2-hydroxy-1,3-dioxo-indan-2-yl)-5,5-dimethyl-3-oxo-cyclohexen-1-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(2-hydroxy-1,3-dioxo-2-indenyl)-5,5-dimethyl-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(2-hydroxy-1,3-dioxoinden-2-yl)-5,5-dimethyl-3-oxocyclohexen-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(2-hydroxy-1,3-diketo-indan-2-yl)-3-keto-5,5-dimethyl-cyclohexen-1-yl] ester Formula: C24H22O7S MolecularWeight: 454.49228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)CC(C2)(C)C)C3(C(=O)C4=CC=CC=C4C3=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)CC(C2)(C)C)C3(C(=O)C4=CC=CC=C4C3=O)O

InChI

InChI=1S/C24H22O7S/c1-14-8-10-15(11-9-14)32(29,30)31-19-13-23(2,3)12-18(25)20(19)24(28)21(26)16-6-4-5-7-17(16)22(24)27/h4-11,28H,12-13H2,1-3H3