cyclohexyl (E)-2-[6-methoxy-7-methyl-3-oxidanylidene-4-(trifluoromethylsulfonyloxy)-1H-2-benzofuran-5-yl]but-2-enoate

Systemtic Name: cyclohexyl (E)-2-[6-methoxy-7-methyl-3-oxidanylidene-4-(trifluoromethylsulfonyloxy)-1H-2-benzofuran-5-yl]but-2-enoate Openeye Name: cyclohexyl (E)-2-[6-methoxy-7-methyl-3-oxo-4-(trifluoromethylsulfonyloxy)-1H-isobenzofuran-5-yl]but-2-enoate CAS Name: (E)-2-[6-methoxy-7-methyl-3-oxo-4-(trifluoromethylsulfonyloxy)-1H-isobenzofuran-5-yl]-2-butenoic acid cyclohexyl ester IUPAC Name: cyclohexyl (E)-2-[6-methoxy-7-methyl-3-oxo-4-(trifluoromethylsulfonyloxy)-1H-2-benzofuran-5-yl]but-2-enoate Traditional Name: (E)-2-(3-keto-6-methoxy-7-methyl-4-triflyloxy-phthalan-5-yl)but-2-enoic acid cyclohexyl ester Formula: C21H23F3O8S MolecularWeight: 492.46273

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=C(C1=C(C2=C(COC2=O)C(=C1OC)C)OS(=O)(=O)C(F)(F)F)C(=O)OC3CCCCC3

Isomeric SMILES

C/C=C(\C1=C(C2=C(COC2=O)C(=C1OC)C)OS(=O)(=O)C(F)(F)F)/C(=O)OC3CCCCC3

InChI

InChI=1S/C21H23F3O8S/c1-4-13(19(25)31-12-8-6-5-7-9-12)15-17(29-3)11(2)14-10-30-20(26)16(14)18(15)32-33(27,28)21(22,23)24/h4,12H,5-10H2,1-3H3/b13-4+