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

Systemtic Name: (Z)-4-methyl-6-[7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxidanylidene-6-pent-2-ynyl-1H-2-benzofuran-5-yl]hex-4-enoic acid Openeye Name: (Z)-4-methyl-6-[7-methyl-3-oxo-6-pent-2-ynyl-4-(p-tolylsulfonyloxy)-1H-isobenzofuran-5-yl]hex-4-enoic acid CAS Name: (Z)-4-methyl-6-[7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-6-pent-2-ynyl-1H-isobenzofuran-5-yl]-4-hexenoic acid IUPAC Name: (Z)-4-methyl-6-[7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-6-pent-2-ynyl-1H-2-benzofuran-5-yl]hex-4-enoic acid Traditional Name: (Z)-6-(3-keto-7-methyl-6-pent-2-ynyl-4-tosyloxy-phthalan-5-yl)-4-methyl-hex-4-enoic acid Formula: C28H30O7S MolecularWeight: 510.5986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30O7S/c1-5-6-7-8-22-20(4)24-17-34-28(31)26(24)27(23(22)15-11-19(3)12-16-25(29)30)35-36(32,33)21-13-9-18(2)10-14-21/h9-11,13-14H,5,8,12,15-17H2,1-4H3,(H,29,30)/b19-11-