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

Systemtic Name: [(E)-3-[6-methoxy-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxidanylidene-1H-2-benzofuran-5-yl]prop-1-enyl] 3-methylbenzoate Openeye Name: [(E)-3-[6-methoxy-7-methyl-3-oxo-4-(p-tolylsulfonyloxy)-1H-isobenzofuran-5-yl]prop-1-enyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [(E)-3-[6-methoxy-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-1H-isobenzofuran-5-yl]prop-1-enyl] ester IUPAC Name: [(E)-3-[6-methoxy-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-(3-keto-6-methoxy-7-methyl-4-tosyloxy-phthalan-5-yl)prop-1-enyl] ester Formula: C28H26O8S MolecularWeight: 522.56624

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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)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)OC)C/C=C/OC(=O)C4=CC(=CC=C4)C

InChI

InChI=1S/C28H26O8S/c1-17-10-12-21(13-11-17)37(31,32)36-26-22(25(33-4)19(3)23-16-35-28(30)24(23)26)9-6-14-34-27(29)20-8-5-7-18(2)15-20/h5-8,10-15H,9,16H2,1-4H3/b14-6+