[(E)-3-[7-methyl-4-(4-methylphenyl)sulfonyloxy-6-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl]prop-1-enyl] 3-methylbenzoate

Systemtic Name: [(E)-3-[7-methyl-4-(4-methylphenyl)sulfonyloxy-6-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl]prop-1-enyl] 3-methylbenzoate Openeye Name: [(E)-3-[6-hydroxy-7-methyl-3-oxo-4-(p-tolylsulfonyloxy)-1H-isobenzofuran-5-yl]prop-1-enyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [(E)-3-[6-hydroxy-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-1H-isobenzofuran-5-yl]prop-1-enyl] ester IUPAC Name: [(E)-3-[6-hydroxy-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-1H-2-benzofuran-5-yl]prop-1-enyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [(E)-3-(6-hydroxy-3-keto-7-methyl-4-tosyloxy-phthalan-5-yl)prop-1-enyl] ester Formula: C27H24O8S MolecularWeight: 508.53966

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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)O)CC=COC(=O)C4=CC(=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C(C3=C2C(=O)OC3)C)O)C/C=C/OC(=O)C4=CC(=CC=C4)C

InChI

InChI=1S/C27H24O8S/c1-16-9-11-20(12-10-16)36(31,32)35-25-21(24(28)18(3)22-15-34-27(30)23(22)25)8-5-13-33-26(29)19-7-4-6-17(2)14-19/h4-7,9-14,28H,8,15H2,1-3H3/b13-5+