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

Systemtic Name: (3E)-3-[2-[6-methoxy-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxidanylidene-1H-2-benzofuran-5-yl]ethylidene]cyclopentane-1-carboxylic acid Openeye Name: (3E)-3-[2-[6-methoxy-7-methyl-3-oxo-4-(p-tolylsulfonyloxy)-1H-isobenzofuran-5-yl]ethylidene]cyclopentanecarboxylic acid CAS Name: (3E)-3-[2-[6-methoxy-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-1H-isobenzofuran-5-yl]ethylidene]-1-cyclopentanecarboxylic acid IUPAC Name: (3E)-3-[2-[6-methoxy-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-1H-2-benzofuran-5-yl]ethylidene]cyclopentane-1-carboxylic acid Traditional Name: (3E)-3-[2-(3-keto-6-methoxy-7-methyl-4-tosyloxy-phthalan-5-yl)ethylidene]cyclopentanecarboxylic acid Formula: C25H26O8S MolecularWeight: 486.53414

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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=C4CCC(C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C(C3=C2C(=O)OC3)C)OC)C/C=C/4\CCC(C4)C(=O)O

InChI

InChI=1S/C25H26O8S/c1-14-4-9-18(10-5-14)34(29,30)33-23-19(11-7-16-6-8-17(12-16)24(26)27)22(31-3)15(2)20-13-32-25(28)21(20)23/h4-5,7,9-10,17H,6,8,11-13H2,1-3H3,(H,26,27)/b16-7+