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

Systemtic Name: [6-methoxy-7-methyl-5-[(2-methyl-3-oxidanylidene-cyclopenten-1-yl)methyl]-3-oxidanylidene-1H-2-benzofuran-4-yl] 4-methylbenzenesulfonate Openeye Name: [6-methoxy-7-methyl-5-[(2-methyl-3-oxo-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-oxo-1-cyclopentenyl)methyl]-3-oxo-1H-isobenzofuran-4-yl] ester IUPAC Name: [6-methoxy-7-methyl-5-[(2-methyl-3-oxocyclopenten-1-yl)methyl]-3-oxo-1H-2-benzofuran-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-keto-5-[(3-keto-2-methyl-cyclopenten-1-yl)methyl]-6-methoxy-7-methyl-phthalan-4-yl] ester Formula: C24H24O7S MolecularWeight: 456.50816

Click to see the large picture

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(=O)CC4)C

Isomeric SMILES

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

InChI

InChI=1S/C24H24O7S/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/h5-6,8-9H,7,10-12H2,1-4H3