(2E)-2-[2-[7-methyl-4-(4-methylphenyl)sulfonyloxy-6-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl]ethylidene]cyclopentane-1-carboxylic acid

Systemtic Name: (2E)-2-[2-[7-methyl-4-(4-methylphenyl)sulfonyloxy-6-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl]ethylidene]cyclopentane-1-carboxylic acid Openeye Name: (2E)-2-[2-[6-hydroxy-7-methyl-3-oxo-4-(p-tolylsulfonyloxy)-1H-isobenzofuran-5-yl]ethylidene]cyclopentanecarboxylic acid CAS Name: (2E)-2-[2-[6-hydroxy-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-1H-isobenzofuran-5-yl]ethylidene]-1-cyclopentanecarboxylic acid IUPAC Name: (2E)-2-[2-[6-hydroxy-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-1H-2-benzofuran-5-yl]ethylidene]cyclopentane-1-carboxylic acid Traditional Name: (2E)-2-[2-(6-hydroxy-3-keto-7-methyl-4-tosyloxy-phthalan-5-yl)ethylidene]cyclopentanecarboxylic acid Formula: C24H24O8S MolecularWeight: 472.50756

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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=C4CCCC4C(=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/4\CCCC4C(=O)O

InChI

InChI=1S/C24H24O8S/c1-13-6-9-16(10-7-13)33(29,30)32-22-18(11-8-15-4-3-5-17(15)23(26)27)21(25)14(2)19-12-31-24(28)20(19)22/h6-10,17,25H,3-5,11-12H2,1-2H3,(H,26,27)/b15-8+