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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(C)(C1=CC=C(C=C1)C2=CC=CC=C2C(F)(F)F)C(=O)O

Isomeric SMILES

CC(=O)SC(C)(C1=CC=C(C=C1)C2=CC=CC=C2C(F)(F)F)C(=O)O

InChI

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