(Z)-6-[6,7-dimethyl-4-(4-methylphenyl)sulfonyloxy-3-oxidanylidene-1H-2-benzofuran-5-yl]-4-methyl-hex-4-enoic acid

Systemtic Name: (Z)-6-[6,7-dimethyl-4-(4-methylphenyl)sulfonyloxy-3-oxidanylidene-1H-2-benzofuran-5-yl]-4-methyl-hex-4-enoic acid Openeye Name: (Z)-6-[6,7-dimethyl-3-oxo-4-(p-tolylsulfonyloxy)-1H-isobenzofuran-5-yl]-4-methyl-hex-4-enoic acid CAS Name: (Z)-6-[6,7-dimethyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-1H-isobenzofuran-5-yl]-4-methyl-4-hexenoic acid IUPAC Name: (Z)-6-[6,7-dimethyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoic acid Traditional Name: (Z)-6-(3-keto-6,7-dimethyl-4-tosyloxy-phthalan-5-yl)-4-methyl-hex-4-enoic acid Formula: C24H26O7S MolecularWeight: 458.52404

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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)CC=C(C)CCC(=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)\CCC(=O)O

InChI

InChI=1S/C24H26O7S/c1-14-5-9-18(10-6-14)32(28,29)31-23-19(11-7-15(2)8-12-21(25)26)16(3)17(4)20-13-30-24(27)22(20)23/h5-7,9-10H,8,11-13H2,1-4H3,(H,25,26)/b15-7-