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

Systemtic Name: 2-[(E)-4-[7-methyl-4-(4-methylphenyl)sulfonyloxy-6-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl]but-2-en-2-yl]cyclopentane-1-carboxylic acid Openeye Name: 2-[(E)-3-[6-hydroxy-7-methyl-3-oxo-4-(p-tolylsulfonyloxy)-1H-isobenzofuran-5-yl]-1-methyl-prop-1-enyl]cyclopentanecarboxylic acid CAS Name: 2-[(E)-4-[6-hydroxy-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-1H-isobenzofuran-5-yl]but-2-en-2-yl]-1-cyclopentanecarboxylic acid IUPAC Name: 2-[(E)-4-[6-hydroxy-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-1H-2-benzofuran-5-yl]but-2-en-2-yl]cyclopentane-1-carboxylic acid Traditional Name: 2-[(E)-3-(6-hydroxy-3-keto-7-methyl-4-tosyloxy-phthalan-5-yl)-1-methyl-prop-1-enyl]cyclopentanecarboxylic acid Formula: C26H28O8S MolecularWeight: 500.56072

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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=C(C)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(\C)/C4CCCC4C(=O)O

InChI

InChI=1S/C26H28O8S/c1-14-7-10-17(11-8-14)35(31,32)34-24-20(23(27)16(3)21-13-33-26(30)22(21)24)12-9-15(2)18-5-4-6-19(18)25(28)29/h7-11,18-19,27H,4-6,12-13H2,1-3H3,(H,28,29)/b15-9+