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

Systemtic Name: (E)-6-[6-methoxy-7-methyl-3-oxidanylidene-4-(trifluoromethylsulfonyloxy)-1H-2-benzofuran-5-yl]-3,4-dimethyl-hex-4-enoic acid Openeye Name: (E)-6-[6-methoxy-7-methyl-3-oxo-4-(trifluoromethylsulfonyloxy)-1H-isobenzofuran-5-yl]-3,4-dimethyl-hex-4-enoic acid CAS Name: (E)-6-[6-methoxy-7-methyl-3-oxo-4-(trifluoromethylsulfonyloxy)-1H-isobenzofuran-5-yl]-3,4-dimethyl-4-hexenoic acid IUPAC Name: (E)-6-[6-methoxy-7-methyl-3-oxo-4-(trifluoromethylsulfonyloxy)-1H-2-benzofuran-5-yl]-3,4-dimethylhex-4-enoic acid Traditional Name: (E)-6-(3-keto-6-methoxy-7-methyl-4-triflyloxy-phthalan-5-yl)-3,4-dimethyl-hex-4-enoic acid Formula: C19H21F3O8S MolecularWeight: 466.42545

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21F3O8S/c1-9(10(2)7-14(23)24)5-6-12-16(28-4)11(3)13-8-29-18(25)15(13)17(12)30-31(26,27)19(20,21)22/h5,10H,6-8H2,1-4H3,(H,23,24)/b9-5+