2-ethanoylsulfanyl-2-[4-phenyl-2-(trifluoromethyl)phenyl]propanoic acid

Systemtic Name: 2-ethanoylsulfanyl-2-[4-phenyl-2-(trifluoromethyl)phenyl]propanoic acid Openeye Name: 2-acetylsulfanyl-2-[4-phenyl-2-(trifluoromethyl)phenyl]propanoic acid CAS Name: 2-(acetylthio)-2-[4-phenyl-2-(trifluoromethyl)phenyl]propanoic acid IUPAC Name: 2-acetylsulfanyl-2-[4-phenyl-2-(trifluoromethyl)phenyl]propanoic acid Traditional Name: 2-(acetylthio)-2-[4-phenyl-2-(trifluoromethyl)phenyl]propionic acid Formula: C18H15F3O3S MolecularWeight: 368.37011

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(C)(C1=C(C=C(C=C1)C2=CC=CC=C2)C(F)(F)F)C(=O)O

Isomeric SMILES

CC(=O)SC(C)(C1=C(C=C(C=C1)C2=CC=CC=C2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C18H15F3O3S/c1-11(22)25-17(2,16(23)24)14-9-8-13(10-15(14)18(19,20)21)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,23,24)