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

Systemtic Name: (3E)-3-[2-[6-ethyl-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxidanylidene-1H-2-benzofuran-5-yl]ethylidene]cyclopentane-1-carboxylic acid Openeye Name: (3E)-3-[2-[6-ethyl-7-methyl-3-oxo-4-(p-tolylsulfonyloxy)-1H-isobenzofuran-5-yl]ethylidene]cyclopentanecarboxylic acid CAS Name: (3E)-3-[2-[6-ethyl-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-1H-isobenzofuran-5-yl]ethylidene]-1-cyclopentanecarboxylic acid IUPAC Name: (3E)-3-[2-[6-ethyl-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-1H-2-benzofuran-5-yl]ethylidene]cyclopentane-1-carboxylic acid Traditional Name: (3E)-3-[2-(6-ethyl-3-keto-7-methyl-4-tosyloxy-phthalan-5-yl)ethylidene]cyclopentanecarboxylic acid Formula: C26H28O7S MolecularWeight: 484.56132

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C(=C1CC=C3CCC(C3)C(=O)O)OS(=O)(=O)C4=CC=C(C=C4)C)C(=O)OC2)C

Isomeric SMILES

CCC1=C(C2=C(C(=C1C/C=C/3\CCC(C3)C(=O)O)OS(=O)(=O)C4=CC=C(C=C4)C)C(=O)OC2)C

InChI

InChI=1S/C26H28O7S/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/h5-6,8,10-11,18H,4,7,9,12-14H2,1-3H3,(H,27,28)/b17-8+