cyclopentyl (Z)-2-[7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxidanylidene-6-(trifluoromethylsulfonyloxy)-1H-2-benzofuran-5-yl]but-2-enoate

Systemtic Name: cyclopentyl (Z)-2-[7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxidanylidene-6-(trifluoromethylsulfonyloxy)-1H-2-benzofuran-5-yl]but-2-enoate Openeye Name: cyclopentyl (Z)-2-[7-methyl-3-oxo-4-(p-tolylsulfonyloxy)-6-(trifluoromethylsulfonyloxy)-1H-isobenzofuran-5-yl]but-2-enoate CAS Name: (Z)-2-[7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-6-(trifluoromethylsulfonyloxy)-1H-isobenzofuran-5-yl]-2-butenoic acid cyclopentyl ester IUPAC Name: cyclopentyl (Z)-2-[7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-6-(trifluoromethylsulfonyloxy)-1H-2-benzofuran-5-yl]but-2-enoate Traditional Name: (Z)-2-(3-keto-7-methyl-4-tosyloxy-6-triflyloxy-phthalan-5-yl)but-2-enoic acid cyclopentyl ester Formula: C26H25F3O10S2 MolecularWeight: 618.59591

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C1=C(C2=C(COC2=O)C(=C1OS(=O)(=O)C(F)(F)F)C)OS(=O)(=O)C3=CC=C(C=C3)C)C(=O)OC4CCCC4

Isomeric SMILES

C/C=C(/C1=C(C2=C(COC2=O)C(=C1OS(=O)(=O)C(F)(F)F)C)OS(=O)(=O)C3=CC=C(C=C3)C)\C(=O)OC4CCCC4

InChI

InChI=1S/C26H25F3O10S2/c1-4-18(24(30)37-16-7-5-6-8-16)20-22(39-41(34,35)26(27,28)29)15(3)19-13-36-25(31)21(19)23(20)38-40(32,33)17-11-9-14(2)10-12-17/h4,9-12,16H,5-8,13H2,1-3H3/b18-4-