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

Systemtic Name: (Z)-6-[6-ethynyl-7-methyl-3-oxidanylidene-4-(trifluoromethylsulfonyloxy)-1H-2-benzofuran-5-yl]-4-methyl-hex-4-enoate Openeye Name: (Z)-6-[6-ethynyl-7-methyl-3-oxo-4-(trifluoromethylsulfonyloxy)-1H-isobenzofuran-5-yl]-4-methyl-hex-4-enoate CAS Name: (Z)-6-[6-ethynyl-7-methyl-3-oxo-4-(trifluoromethylsulfonyloxy)-1H-isobenzofuran-5-yl]-4-methyl-4-hexenoate IUPAC Name: (Z)-6-[6-ethynyl-7-methyl-3-oxo-4-(trifluoromethylsulfonyloxy)-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate Traditional Name: (Z)-6-(6-ethynyl-3-keto-7-methyl-4-triflyloxy-phthalan-5-yl)-4-methyl-hex-4-enoate Formula: C19H16F3O7S- MolecularWeight: 445.38635

Click to see the large picture

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#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#C

InChI

InChI=1S/C19H17F3O7S/c1-4-12-11(3)14-9-28-18(25)16(14)17(29-30(26,27)19(20,21)22)13(12)7-5-10(2)6-8-15(23)24/h1,5H,6-9H2,2-3H3,(H,23,24)/p-1/b10-5-