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

Systemtic Name: (Z)-6-[6,7-dimethyl-3-oxidanylidene-4-(trifluoromethylsulfonyloxy)-1H-2-benzofuran-5-yl]-4-methyl-hex-4-enoic acid Openeye Name: (Z)-6-[6,7-dimethyl-3-oxo-4-(trifluoromethylsulfonyloxy)-1H-isobenzofuran-5-yl]-4-methyl-hex-4-enoic acid CAS Name: (Z)-6-[6,7-dimethyl-3-oxo-4-(trifluoromethylsulfonyloxy)-1H-isobenzofuran-5-yl]-4-methyl-4-hexenoic acid IUPAC Name: (Z)-6-[6,7-dimethyl-3-oxo-4-(trifluoromethylsulfonyloxy)-1H-2-benzofuran-5-yl]-4-methylhex-4-enoic acid Traditional Name: (Z)-6-(3-keto-6,7-dimethyl-4-triflyloxy-phthalan-5-yl)-4-methyl-hex-4-enoic acid Formula: C18H19F3O7S MolecularWeight: 436.39947

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C18H19F3O7S/c1-9(5-7-14(22)23)4-6-12-10(2)11(3)13-8-27-17(24)15(13)16(12)28-29(25,26)18(19,20)21/h4H,5-8H2,1-3H3,(H,22,23)/b9-4-