3-(4-sulfanylphenyl)-2-[3-(trifluoromethyl)phenyl]propanoic acid

Systemtic Name: 3-(4-sulfanylphenyl)-2-[3-(trifluoromethyl)phenyl]propanoic acid Openeye Name: 3-(4-sulfanylphenyl)-2-[3-(trifluoromethyl)phenyl]propanoic acid CAS Name: 3-(4-mercaptophenyl)-2-[3-(trifluoromethyl)phenyl]propanoic acid IUPAC Name: 3-(4-sulfanylphenyl)-2-[3-(trifluoromethyl)phenyl]propanoic acid Traditional Name: 3-(4-mercaptophenyl)-2-[3-(trifluoromethyl)phenyl]propionic acid Formula: C16H13F3O2S MolecularWeight: 326.33343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)C(CC2=CC=C(C=C2)S)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)C(CC2=CC=C(C=C2)S)C(=O)O

InChI

InChI=1S/C16H13F3O2S/c17-16(18,19)12-3-1-2-11(9-12)14(15(20)21)8-10-4-6-13(22)7-5-10/h1-7,9,14,22H,8H2,(H,20,21)