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

Systemtic Name: (E)-4-methyl-6-[7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxidanylidene-6-(trideuteriomethoxy)-1H-2-benzofuran-5-yl]hex-4-enoic acid Openeye Name: (E)-4-methyl-6-[7-methyl-3-oxo-4-(p-tolylsulfonyloxy)-6-(trideuteriomethoxy)-1H-isobenzofuran-5-yl]hex-4-enoic acid CAS Name: (E)-4-methyl-6-[7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-6-(trideuteriomethoxy)-1H-isobenzofuran-5-yl]-4-hexenoic acid IUPAC Name: (E)-4-methyl-6-[7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-6-(trideuteriomethoxy)-1H-2-benzofuran-5-yl]hex-4-enoic acid Traditional Name: (E)-6-[3-keto-7-methyl-4-tosyloxy-6-(trideuteriomethoxy)phthalan-5-yl]-4-methyl-hex-4-enoic acid Formula: C24H26O8S MolecularWeight: 477.541925

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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)OC)CC=C(C)CCC(=O)O

Isomeric SMILES

[2H]C([2H])([2H])OC1=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/C24H26O8S/c1-14-5-9-17(10-6-14)33(28,29)32-23-18(11-7-15(2)8-12-20(25)26)22(30-4)16(3)19-13-31-24(27)21(19)23/h5-7,9-10H,8,11-13H2,1-4H3,(H,25,26)/b15-7+/i4D3