bis(phenylmethyl) 2-[[3-(trifluoromethyl)phenyl]methyl]propanedioate

Systemtic Name: bis(phenylmethyl) 2-[[3-(trifluoromethyl)phenyl]methyl]propanedioate Openeye Name: dibenzyl 2-[[3-(trifluoromethyl)phenyl]methyl]propanedioate CAS Name: 2-[[3-(trifluoromethyl)phenyl]methyl]propanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[[3-(trifluoromethyl)phenyl]methyl]propanedioate Traditional Name: 2-[3-(trifluoromethyl)benzyl]malonic acid dibenzyl ester Formula: C25H21F3O4 MolecularWeight: 442.42705

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CC2=CC(=CC=C2)C(F)(F)F)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CC2=CC(=CC=C2)C(F)(F)F)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H21F3O4/c26-25(27,28)21-13-7-12-20(14-21)15-22(23(29)31-16-18-8-3-1-4-9-18)24(30)32-17-19-10-5-2-6-11-19/h1-14,22H,15-17H2