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

Systemtic Name: 2-[(E)-4-[6-ethenyl-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxidanylidene-1H-2-benzofuran-5-yl]but-2-en-2-yl]cyclopentane-1-carboxylic acid Openeye Name: 2-[(E)-1-methyl-3-[7-methyl-3-oxo-4-(p-tolylsulfonyloxy)-6-vinyl-1H-isobenzofuran-5-yl]prop-1-enyl]cyclopentanecarboxylic acid CAS Name: 2-[(E)-4-[6-ethenyl-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-ethenyl-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-(3-keto-7-methyl-4-tosyloxy-6-vinyl-phthalan-5-yl)-1-methyl-prop-1-enyl]cyclopentanecarboxylic acid Formula: C28H30O7S MolecularWeight: 510.5986

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

InChI

InChI=1S/C28H30O7S/c1-5-20-18(4)24-15-34-28(31)25(24)26(35-36(32,33)19-12-9-16(2)10-13-19)22(20)14-11-17(3)21-7-6-8-23(21)27(29)30/h5,9-13,21,23H,1,6-8,14-15H2,2-4H3,(H,29,30)/b17-11+