dimethyl 2-(3-oxidanylidenebutyl)-2-[4-(trifluoromethyl)phenyl]carbonyl-propanedioate

Systemtic Name: dimethyl 2-(3-oxidanylidenebutyl)-2-[4-(trifluoromethyl)phenyl]carbonyl-propanedioate Openeye Name: dimethyl 2-(3-oxobutyl)-2-[4-(trifluoromethyl)benzoyl]propanedioate CAS Name: 2-(3-oxobutyl)-2-[oxo-[4-(trifluoromethyl)phenyl]methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(3-oxobutyl)-2-[4-(trifluoromethyl)benzoyl]propanedioate Traditional Name: 2-(3-ketobutyl)-2-[4-(trifluoromethyl)benzoyl]malonic acid dimethyl ester Formula: C17H17F3O6 MolecularWeight: 374.30849

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(C(=O)C1=CC=C(C=C1)C(F)(F)F)(C(=O)OC)C(=O)OC

Isomeric SMILES

CC(=O)CCC(C(=O)C1=CC=C(C=C1)C(F)(F)F)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C17H17F3O6/c1-10(21)8-9-16(14(23)25-2,15(24)26-3)13(22)11-4-6-12(7-5-11)17(18,19)20/h4-7H,8-9H2,1-3H3