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

Systemtic Name: 2-(1-butoxy-1-oxidanylidene-propan-2-yl)oxy-4-[2-chloranyl-4-(trifluoromethyl)phenoxy]benzoic acid Openeye Name: 2-(2-butoxy-1-methyl-2-oxo-ethoxy)-4-[2-chloro-4-(trifluoromethyl)phenoxy]benzoic acid CAS Name: 2-(1-butoxy-1-oxopropan-2-yl)oxy-4-[2-chloro-4-(trifluoromethyl)phenoxy]benzoic acid IUPAC Name: 2-(1-butoxy-1-oxopropan-2-yl)oxy-4-[2-chloro-4-(trifluoromethyl)phenoxy]benzoic acid Traditional Name: 2-(2-butoxy-2-keto-1-methyl-ethoxy)-4-[2-chloro-4-(trifluoromethyl)phenoxy]benzoic acid Formula: C21H20ClF3O6 MolecularWeight: 460.82811

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClF3O6/c1-3-4-9-29-20(28)12(2)30-18-11-14(6-7-15(18)19(26)27)31-17-8-5-13(10-16(17)22)21(23,24)25/h5-8,10-12H,3-4,9H2,1-2H3,(H,26,27)