[6-methoxy-7-methyl-5-[[3-methyl-3-(2-oxidanylideneethyl)cyclopenten-1-yl]methyl]-3-oxidanylidene-1H-2-benzofuran-4-yl] 4-methylbenzenesulfonate

Systemtic Name: [6-methoxy-7-methyl-5-[[3-methyl-3-(2-oxidanylideneethyl)cyclopenten-1-yl]methyl]-3-oxidanylidene-1H-2-benzofuran-4-yl] 4-methylbenzenesulfonate Openeye Name: [6-methoxy-7-methyl-5-[[3-methyl-3-(2-oxoethyl)cyclopenten-1-yl]methyl]-3-oxo-1H-isobenzofuran-4-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-methoxy-7-methyl-5-[[3-methyl-3-(2-oxoethyl)-1-cyclopentenyl]methyl]-3-oxo-1H-isobenzofuran-4-yl] ester IUPAC Name: [6-methoxy-7-methyl-5-[[3-methyl-3-(2-oxoethyl)cyclopenten-1-yl]methyl]-3-oxo-1H-2-benzofuran-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-keto-5-[[3-(2-ketoethyl)-3-methyl-cyclopenten-1-yl]methyl]-6-methoxy-7-methyl-phthalan-4-yl] ester Formula: C26H28O7S MolecularWeight: 484.56132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C(C3=C2C(=O)OC3)C)OC)CC4=CC(CC4)(C)CC=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C(C3=C2C(=O)OC3)C)OC)CC4=CC(CC4)(C)CC=O

InChI

InChI=1S/C26H28O7S/c1-16-5-7-19(8-6-16)34(29,30)33-24-20(13-18-9-10-26(3,14-18)11-12-27)23(31-4)17(2)21-15-32-25(28)22(21)24/h5-8,12,14H,9-11,13,15H2,1-4H3