4-bromanyl-2,2-dimethyl-3-oxidanylidene-4-[3-(trifluoromethyl)phenoxy]butanoic acid

Systemtic Name: 4-bromanyl-2,2-dimethyl-3-oxidanylidene-4-[3-(trifluoromethyl)phenoxy]butanoic acid Openeye Name: 4-bromo-2,2-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenoxy]butanoic acid CAS Name: 4-bromo-2,2-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenoxy]butanoic acid IUPAC Name: 4-bromo-2,2-dimethyl-3-oxo-4-[3-(trifluoromethyl)phenoxy]butanoic acid Traditional Name: 4-bromo-3-keto-2,2-dimethyl-4-[3-(trifluoromethyl)phenoxy]butyric acid Formula: C13H12BrF3O4 MolecularWeight: 369.13119

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C(OC1=CC=CC(=C1)C(F)(F)F)Br)C(=O)O

Isomeric SMILES

CC(C)(C(=O)C(OC1=CC=CC(=C1)C(F)(F)F)Br)C(=O)O

InChI

InChI=1S/C13H12BrF3O4/c1-12(2,11(19)20)9(18)10(14)21-8-5-3-4-7(6-8)13(15,16)17/h3-6,10H,1-2H3,(H,19,20)