methyl 3-methyl-4-[[7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxidanylidene-6-(trifluoromethylsulfonyloxy)-1H-2-benzofuran-5-yl]methyl]cyclopent-3-ene-1-carboxylate

Systemtic Name: methyl 3-methyl-4-[[7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxidanylidene-6-(trifluoromethylsulfonyloxy)-1H-2-benzofuran-5-yl]methyl]cyclopent-3-ene-1-carboxylate Openeye Name: methyl 3-methyl-4-[[7-methyl-3-oxo-4-(p-tolylsulfonyloxy)-6-(trifluoromethylsulfonyloxy)-1H-isobenzofuran-5-yl]methyl]cyclopent-3-ene-1-carboxylate CAS Name: 3-methyl-4-[[7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-6-(trifluoromethylsulfonyloxy)-1H-isobenzofuran-5-yl]methyl]-1-cyclopent-3-enecarboxylic acid methyl ester IUPAC Name: methyl 3-methyl-4-[[7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-6-(trifluoromethylsulfonyloxy)-1H-2-benzofuran-5-yl]methyl]cyclopent-3-ene-1-carboxylate Traditional Name: 3-[(3-keto-7-methyl-4-tosyloxy-6-triflyloxy-phthalan-5-yl)methyl]-4-methyl-cyclopent-3-ene-1-carboxylic acid methyl ester Formula: C26H25F3O10S2 MolecularWeight: 618.59591

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C1)C(=O)OC)CC2=C(C3=C(COC3=O)C(=C2OS(=O)(=O)C(F)(F)F)C)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=C(CC(C1)C(=O)OC)CC2=C(C3=C(COC3=O)C(=C2OS(=O)(=O)C(F)(F)F)C)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H25F3O10S2/c1-13-5-7-18(8-6-13)40(32,33)38-23-19(11-16-10-17(9-14(16)2)24(30)36-4)22(39-41(34,35)26(27,28)29)15(3)20-12-37-25(31)21(20)23/h5-8,17H,9-12H2,1-4H3