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

Systemtic Name: (Z)-4-methyl-6-[7-methyl-3-oxidanylidene-6-pent-2-ynyl-4-(trifluoromethylsulfonyloxy)-1H-2-benzofuran-5-yl]hex-4-enoic acid Openeye Name: (Z)-4-methyl-6-[7-methyl-3-oxo-6-pent-2-ynyl-4-(trifluoromethylsulfonyloxy)-1H-isobenzofuran-5-yl]hex-4-enoic acid CAS Name: (Z)-4-methyl-6-[7-methyl-3-oxo-6-pent-2-ynyl-4-(trifluoromethylsulfonyloxy)-1H-isobenzofuran-5-yl]-4-hexenoic acid IUPAC Name: (Z)-4-methyl-6-[7-methyl-3-oxo-6-pent-2-ynyl-4-(trifluoromethylsulfonyloxy)-1H-2-benzofuran-5-yl]hex-4-enoic acid Traditional Name: (Z)-6-(3-keto-7-methyl-6-pent-2-ynyl-4-triflyloxy-phthalan-5-yl)-4-methyl-hex-4-enoic acid Formula: C22H23F3O7S MolecularWeight: 488.47403

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCC1=C(C2=C(C(=C1CC=C(C)CCC(=O)O)OS(=O)(=O)C(F)(F)F)C(=O)OC2)C

Isomeric SMILES

CCC#CCC1=C(C2=C(C(=C1C/C=C(/C)\CCC(=O)O)OS(=O)(=O)C(F)(F)F)C(=O)OC2)C

InChI

InChI=1S/C22H23F3O7S/c1-4-5-6-7-15-14(3)17-12-31-21(28)19(17)20(32-33(29,30)22(23,24)25)16(15)10-8-13(2)9-11-18(26)27/h8H,4,7,9-12H2,1-3H3,(H,26,27)/b13-8-