2-[[4-(trifluoromethyl)phenyl]methyl]propanedioic acid

Systemtic Name: 2-[[4-(trifluoromethyl)phenyl]methyl]propanedioic acid Openeye Name: 2-[[4-(trifluoromethyl)phenyl]methyl]propanedioic acid CAS Name: 2-[[4-(trifluoromethyl)phenyl]methyl]propanedioic acid IUPAC Name: 2-[[4-(trifluoromethyl)phenyl]methyl]propanedioic acid Traditional Name: 2-[4-(trifluoromethyl)benzyl]malonic acid Formula: C11H9F3O4 MolecularWeight: 262.18197

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)C(=O)O)C(F)(F)F

InChI

InChI=1S/C11H9F3O4/c12-11(13,14)7-3-1-6(2-4-7)5-8(9(15)16)10(17)18/h1-4,8H,5H2,(H,15,16)(H,17,18)