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

Systemtic Name: [6-methoxy-7-methyl-5-[(2-methyl-3-oxidanyl-cyclopenten-1-yl)methyl]-3-oxidanylidene-1H-2-benzofuran-4-yl] 4-methylbenzenesulfonate Openeye Name: [5-[(3-hydroxy-2-methyl-cyclopenten-1-yl)methyl]-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-4-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-[(3-hydroxy-2-methyl-1-cyclopentenyl)methyl]-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-4-yl] ester IUPAC Name: [5-[(3-hydroxy-2-methylcyclopenten-1-yl)methyl]-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-[(3-hydroxy-2-methyl-cyclopenten-1-yl)methyl]-3-keto-6-methoxy-7-methyl-phthalan-4-yl] ester Formula: C24H26O7S MolecularWeight: 458.52404

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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)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)O)C

InChI

InChI=1S/C24H26O7S/c1-13-5-8-17(9-6-13)32(27,28)31-23-18(11-16-7-10-20(25)14(16)2)22(29-4)15(3)19-12-30-24(26)21(19)23/h5-6,8-9,20,25H,7,10-12H2,1-4H3