3-methyl-2-[4-(trifluoromethyl)phenyl]carbonyl-butanoic acid

Systemtic Name: 3-methyl-2-[4-(trifluoromethyl)phenyl]carbonyl-butanoic acid Openeye Name: 3-methyl-2-[4-(trifluoromethyl)benzoyl]butanoic acid CAS Name: 3-methyl-2-[oxo-[4-(trifluoromethyl)phenyl]methyl]butanoic acid IUPAC Name: 3-methyl-2-[4-(trifluoromethyl)benzoyl]butanoic acid Traditional Name: 3-methyl-2-[4-(trifluoromethyl)benzoyl]butyric acid Formula: C13H13F3O3 MolecularWeight: 274.23573

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13F3O3/c1-7(2)10(12(18)19)11(17)8-3-5-9(6-4-8)13(14,15)16/h3-7,10H,1-2H3,(H,18,19)