4-[2-(4-chlorophenyl)ethoxy]-2-[3-(trifluoromethyl)phenyl]sulfonyl-butanoic acid

Systemtic Name: 4-[2-(4-chlorophenyl)ethoxy]-2-[3-(trifluoromethyl)phenyl]sulfonyl-butanoic acid Openeye Name: 4-[2-(4-chlorophenyl)ethoxy]-2-[3-(trifluoromethyl)phenyl]sulfonyl-butanoic acid CAS Name: 4-[2-(4-chlorophenyl)ethoxy]-2-[3-(trifluoromethyl)phenyl]sulfonylbutanoic acid IUPAC Name: 4-[2-(4-chlorophenyl)ethoxy]-2-[3-(trifluoromethyl)phenyl]sulfonylbutanoic acid Traditional Name: 4-[2-(4-chlorophenyl)ethoxy]-2-[3-(trifluoromethyl)phenyl]sulfonyl-butyric acid Formula: C19H18ClF3O5S MolecularWeight: 450.85643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)C(CCOCCC2=CC=C(C=C2)Cl)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)C(CCOCCC2=CC=C(C=C2)Cl)C(=O)O)C(F)(F)F

InChI

InChI=1S/C19H18ClF3O5S/c20-15-6-4-13(5-7-15)8-10-28-11-9-17(18(24)25)29(26,27)16-3-1-2-14(12-16)19(21,22)23/h1-7,12,17H,8-11H2,(H,24,25)