3-methyl-2-[(E)-3-[7-methyl-4-(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-4-(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-4-(p-tolylsulfonyloxy)-1H-isobenzofuran-5-yl]prop-1-enyl]-3-methyl-benzoic acid CAS Name: 2-[(E)-3-[6-hydroxy-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-1H-isobenzofuran-5-yl]prop-1-enyl]-3-methylbenzoic acid IUPAC Name: 2-[(E)-3-[6-hydroxy-7-methyl-4-(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-4-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)OC2=C(C(=C(C3=C2C(=O)OC3)C)O)CC=CC4=C(C=CC=C4C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C(C3=C2C(=O)OC3)C)O)C/C=C/C4=C(C=CC=C4C)C(=O)O

InChI

InChI=1S/C27H24O8S/c1-15-10-12-18(13-11-15)36(32,33)35-25-21(24(28)17(3)22-14-34-27(31)23(22)25)9-5-7-19-16(2)6-4-8-20(19)26(29)30/h4-8,10-13,28H,9,14H2,1-3H3,(H,29,30)/b7-5+