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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C3=C(C(=C(C=C3C(=O)O2)CC=CC4=C(C=CC=C4C)C(=O)O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2C3=C(C(=C(C=C3C(=O)O2)C/C=C/C4=C(C=CC=C4C)C(=O)O)O)C

InChI

InChI=1S/C27H24O8S/c1-15-10-12-19(13-11-15)36(32,33)35-27-23-17(3)24(28)18(14-22(23)26(31)34-27)7-5-8-20-16(2)6-4-9-21(20)25(29)30/h4-6,8-14,27-28H,7H2,1-3H3,(H,29,30)/b8-5+