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

Systemtic Name: 2-[[2-phenyl-4-(trifluoromethyl)phenyl]methyl]propanedioic acid Openeye Name: 2-[[2-phenyl-4-(trifluoromethyl)phenyl]methyl]propanedioic acid CAS Name: 2-[[2-phenyl-4-(trifluoromethyl)phenyl]methyl]propanedioic acid IUPAC Name: 2-[[2-phenyl-4-(trifluoromethyl)phenyl]methyl]propanedioic acid Traditional Name: 2-[2-phenyl-4-(trifluoromethyl)benzyl]malonic acid Formula: C17H13F3O4 MolecularWeight: 338.27793

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13F3O4/c18-17(19,20)12-7-6-11(8-14(15(21)22)16(23)24)13(9-12)10-4-2-1-3-5-10/h1-7,9,14H,8H2,(H,21,22)(H,23,24)