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

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

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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)C4CCC(=C4)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C(C3=C2C(=O)OC3)C)O)C4CCC(=C4)CCC(=O)O

InChI

InChI=1S/C24H24O8S/c1-13-3-8-17(9-4-13)33(29,30)32-23-20(16-7-5-15(11-16)6-10-19(25)26)22(27)14(2)18-12-31-24(28)21(18)23/h3-4,8-9,11,16,27H,5-7,10,12H2,1-2H3,(H,25,26)