dimethyl 2-[4-oxidanylidene-4-phenyl-2-[4-(trifluoromethyl)phenyl]butyl]propanedioate

Systemtic Name: dimethyl 2-[4-oxidanylidene-4-phenyl-2-[4-(trifluoromethyl)phenyl]butyl]propanedioate Openeye Name: dimethyl 2-[4-oxo-4-phenyl-2-[4-(trifluoromethyl)phenyl]butyl]propanedioate CAS Name: 2-[4-oxo-4-phenyl-2-[4-(trifluoromethyl)phenyl]butyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[4-oxo-4-phenyl-2-[4-(trifluoromethyl)phenyl]butyl]propanedioate Traditional Name: 2-[4-keto-4-phenyl-2-[4-(trifluoromethyl)phenyl]butyl]malonic acid dimethyl ester Formula: C22H21F3O5 MolecularWeight: 422.39435

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(CC(=O)C1=CC=CC=C1)C2=CC=C(C=C2)C(F)(F)F)C(=O)OC

Isomeric SMILES

COC(=O)C(CC(CC(=O)C1=CC=CC=C1)C2=CC=C(C=C2)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C22H21F3O5/c1-29-20(27)18(21(28)30-2)12-16(13-19(26)15-6-4-3-5-7-15)14-8-10-17(11-9-14)22(23,24)25/h3-11,16,18H,12-13H2,1-2H3