2-propan-2-yl-2-[4-(trifluoromethyl)phenyl]carbonyl-propanedioic acid

Systemtic Name: 2-propan-2-yl-2-[4-(trifluoromethyl)phenyl]carbonyl-propanedioic acid Openeye Name: 2-isopropyl-2-[4-(trifluoromethyl)benzoyl]propanedioic acid CAS Name: 2-[oxo-[4-(trifluoromethyl)phenyl]methyl]-2-propan-2-ylpropanedioic acid IUPAC Name: 2-propan-2-yl-2-[4-(trifluoromethyl)benzoyl]propanedioic acid Traditional Name: 2-isopropyl-2-[4-(trifluoromethyl)benzoyl]malonic acid Formula: C14H13F3O5 MolecularWeight: 318.24523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13F3O5/c1-7(2)13(11(19)20,12(21)22)10(18)8-3-5-9(6-4-8)14(15,16)17/h3-7H,1-2H3,(H,19,20)(H,21,22)