4-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-(1-oxidanyl-1-oxidanylidene-propan-2-yl)oxy-benzoic acid

Systemtic Name: 4-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-(1-oxidanyl-1-oxidanylidene-propan-2-yl)oxy-benzoic acid Openeye Name: 4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(2-hydroxy-1-methyl-2-oxo-ethoxy)benzoic acid CAS Name: 4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(1-hydroxy-1-oxopropan-2-yl)oxybenzoic acid IUPAC Name: 4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(1-hydroxy-1-oxopropan-2-yl)oxybenzoic acid Traditional Name: 4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(2-hydroxy-2-keto-1-methyl-ethoxy)benzoic acid Formula: C17H12ClF3O6 MolecularWeight: 404.72179

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)C(=O)O

Isomeric SMILES

CC(C(=O)O)OC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)C(=O)O

InChI

InChI=1S/C17H12ClF3O6/c1-8(15(22)23)26-14-7-10(3-4-11(14)16(24)25)27-13-5-2-9(6-12(13)18)17(19,20)21/h2-8H,1H3,(H,22,23)(H,24,25)