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

Systemtic Name: 2-[2-methyl-3-[[7-methyl-4-(4-methylphenyl)sulfonyloxy-6-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl]methyl]cyclopent-2-en-1-yl]ethanoic acid Openeye Name: 2-[3-[[6-hydroxy-7-methyl-3-oxo-4-(p-tolylsulfonyloxy)-1H-isobenzofuran-5-yl]methyl]-2-methyl-cyclopent-2-en-1-yl]acetic acid CAS Name: 2-[3-[[6-hydroxy-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-1H-isobenzofuran-5-yl]methyl]-2-methyl-1-cyclopent-2-enyl]acetic acid IUPAC Name: 2-[3-[[6-hydroxy-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-1H-2-benzofuran-5-yl]methyl]-2-methylcyclopent-2-en-1-yl]acetic acid Traditional Name: 2-[3-[(6-hydroxy-3-keto-7-methyl-4-tosyloxy-phthalan-5-yl)methyl]-2-methyl-cyclopent-2-en-1-yl]acetic 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)O)CC4=C(C(CC4)CC(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C(C3=C2C(=O)OC3)C)O)CC4=C(C(CC4)CC(=O)O)C

InChI

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