3-methyl-4-[[7-methyl-4-(4-methylphenyl)sulfonyloxy-6-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl]methyl]cyclopent-3-ene-1-carboxylic acid

Systemtic Name: 3-methyl-4-[[7-methyl-4-(4-methylphenyl)sulfonyloxy-6-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl]methyl]cyclopent-3-ene-1-carboxylic acid Openeye Name: 3-[[6-hydroxy-7-methyl-3-oxo-4-(p-tolylsulfonyloxy)-1H-isobenzofuran-5-yl]methyl]-4-methyl-cyclopent-3-ene-1-carboxylic acid CAS Name: 3-[[6-hydroxy-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-1H-isobenzofuran-5-yl]methyl]-4-methyl-1-cyclopent-3-enecarboxylic acid IUPAC Name: 3-[[6-hydroxy-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-1H-2-benzofuran-5-yl]methyl]-4-methylcyclopent-3-ene-1-carboxylic acid Traditional Name: 3-[(6-hydroxy-3-keto-7-methyl-4-tosyloxy-phthalan-5-yl)methyl]-4-methyl-cyclopent-3-ene-1-carboxylic acid Formula: C24H24O8S MolecularWeight: 472.50756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C1)C(=O)O)CC2=C(C3=C(COC3=O)C(=C2O)C)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=C(CC(C1)C(=O)O)CC2=C(C3=C(COC3=O)C(=C2O)C)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C24H24O8S/c1-12-4-6-17(7-5-12)33(29,30)32-22-18(10-15-9-16(23(26)27)8-13(15)2)21(25)14(3)19-11-31-24(28)20(19)22/h4-7,16,25H,8-11H2,1-3H3,(H,26,27)