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

Systemtic Name: (3E)-3-[2-[6-ethenyl-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxidanylidene-1H-2-benzofuran-5-yl]ethylidene]cyclopentane-1-carboxylic acid Openeye Name: (3E)-3-[2-[7-methyl-3-oxo-4-(p-tolylsulfonyloxy)-6-vinyl-1H-isobenzofuran-5-yl]ethylidene]cyclopentanecarboxylic acid CAS Name: (3E)-3-[2-[6-ethenyl-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-1H-isobenzofuran-5-yl]ethylidene]-1-cyclopentanecarboxylic acid IUPAC Name: (3E)-3-[2-[6-ethenyl-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-7-methyl-4-tosyloxy-6-vinyl-phthalan-5-yl)ethylidene]cyclopentanecarboxylic acid Formula: C26H26O7S MolecularWeight: 482.54544

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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)C=C)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)C=C)C/C=C/4\CCC(C4)C(=O)O

InChI

InChI=1S/C26H26O7S/c1-4-20-16(3)22-14-32-26(29)23(22)24(33-34(30,31)19-10-5-15(2)6-11-19)21(20)12-8-17-7-9-18(13-17)25(27)28/h4-6,8,10-11,18H,1,7,9,12-14H2,2-3H3,(H,27,28)/b17-8+