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

Systemtic Name: (Z)-6-[6-ethyl-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxidanylidene-1H-2-benzofuran-5-yl]-3,4-dimethyl-hex-4-enoic acid Openeye Name: (Z)-6-[6-ethyl-7-methyl-3-oxo-4-(p-tolylsulfonyloxy)-1H-isobenzofuran-5-yl]-3,4-dimethyl-hex-4-enoic acid CAS Name: (Z)-6-[6-ethyl-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-1H-isobenzofuran-5-yl]-3,4-dimethyl-4-hexenoic acid IUPAC Name: (Z)-6-[6-ethyl-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-1H-2-benzofuran-5-yl]-3,4-dimethylhex-4-enoic acid Traditional Name: (Z)-6-(6-ethyl-3-keto-7-methyl-4-tosyloxy-phthalan-5-yl)-3,4-dimethyl-hex-4-enoic acid Formula: C26H30O7S MolecularWeight: 486.5772

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C(=C1CC=C(C)C(C)CC(=O)O)OS(=O)(=O)C3=CC=C(C=C3)C)C(=O)OC2)C

Isomeric SMILES

CCC1=C(C2=C(C(=C1C/C=C(/C)\C(C)CC(=O)O)OS(=O)(=O)C3=CC=C(C=C3)C)C(=O)OC2)C

InChI

InChI=1S/C26H30O7S/c1-6-20-18(5)22-14-32-26(29)24(22)25(21(20)12-9-16(3)17(4)13-23(27)28)33-34(30,31)19-10-7-15(2)8-11-19/h7-11,17H,6,12-14H2,1-5H3,(H,27,28)/b16-9-