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

Systemtic Name: 2-(phenylcarbonylsulfanylmethyl)-3-[4-(trifluoromethyl)phenyl]propanoic acid Openeye Name: 2-(benzoylsulfanylmethyl)-3-[4-(trifluoromethyl)phenyl]propanoic acid CAS Name: 2-[(benzoylthio)methyl]-3-[4-(trifluoromethyl)phenyl]propanoic acid IUPAC Name: 2-(benzoylsulfanylmethyl)-3-[4-(trifluoromethyl)phenyl]propanoic acid Traditional Name: 2-[(benzoylthio)methyl]-3-[4-(trifluoromethyl)phenyl]propionic acid Formula: C18H15F3O3S MolecularWeight: 368.37011

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15F3O3S/c19-18(20,21)15-8-6-12(7-9-15)10-14(16(22)23)11-25-17(24)13-4-2-1-3-5-13/h1-9,14H,10-11H2,(H,22,23)