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

Systemtic Name: (Z)-6-[6-cyclopropyl-7-methyl-3-oxidanylidene-4-(trifluoromethylsulfonyloxy)-1H-2-benzofuran-5-yl]-4-methyl-hex-4-enoic acid Openeye Name: (Z)-6-[6-cyclopropyl-7-methyl-3-oxo-4-(trifluoromethylsulfonyloxy)-1H-isobenzofuran-5-yl]-4-methyl-hex-4-enoic acid CAS Name: (Z)-6-[6-cyclopropyl-7-methyl-3-oxo-4-(trifluoromethylsulfonyloxy)-1H-isobenzofuran-5-yl]-4-methyl-4-hexenoic acid IUPAC Name: (Z)-6-[6-cyclopropyl-7-methyl-3-oxo-4-(trifluoromethylsulfonyloxy)-1H-2-benzofuran-5-yl]-4-methylhex-4-enoic acid Traditional Name: (Z)-6-(6-cyclopropyl-3-keto-7-methyl-4-triflyloxy-phthalan-5-yl)-4-methyl-hex-4-enoic acid Formula: C20H21F3O7S MolecularWeight: 462.43675

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)OS(=O)(=O)C(F)(F)F)CC=C(C)CCC(=O)O)C3CC3

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)OS(=O)(=O)C(F)(F)F)C/C=C(/C)\CCC(=O)O)C3CC3

InChI

InChI=1S/C20H21F3O7S/c1-10(4-8-15(24)25)3-7-13-16(12-5-6-12)11(2)14-9-29-19(26)17(14)18(13)30-31(27,28)20(21,22)23/h3,12H,4-9H2,1-2H3,(H,24,25)/b10-3-