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

Systemtic Name: (Z)-6-[6-ethynyl-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxidanylidene-1H-2-benzofuran-5-yl]-4-methyl-hex-4-enoic acid Openeye Name: (Z)-6-[6-ethynyl-7-methyl-3-oxo-4-(p-tolylsulfonyloxy)-1H-isobenzofuran-5-yl]-4-methyl-hex-4-enoic acid CAS Name: (Z)-6-[6-ethynyl-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-1H-isobenzofuran-5-yl]-4-methyl-4-hexenoic acid IUPAC Name: (Z)-6-[6-ethynyl-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoic acid Traditional Name: (Z)-6-(6-ethynyl-3-keto-7-methyl-4-tosyloxy-phthalan-5-yl)-4-methyl-hex-4-enoic acid Formula: C25H24O7S MolecularWeight: 468.51886

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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#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(/C)\CCC(=O)O

InChI

InChI=1S/C25H24O7S/c1-5-19-17(4)21-14-31-25(28)23(21)24(20(19)12-8-16(3)9-13-22(26)27)32-33(29,30)18-10-6-15(2)7-11-18/h1,6-8,10-11H,9,12-14H2,2-4H3,(H,26,27)/b16-8-