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

Systemtic Name: [6-methoxy-7-methyl-5-[[2-methyl-3-(2-oxidanylideneethyl)cyclopenten-1-yl]methyl]-3-oxidanylidene-1H-2-benzofuran-4-yl] 4-methylbenzenesulfonate Openeye Name: [6-methoxy-7-methyl-5-[[2-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-[[2-methyl-3-(2-oxoethyl)-1-cyclopentenyl]methyl]-3-oxo-1H-isobenzofuran-4-yl] ester IUPAC Name: [6-methoxy-7-methyl-5-[[2-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)-2-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=C(C(CC4)CC=O)C

Isomeric SMILES

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

InChI

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