4-phenyl-2-(phenylcarbonylsulfanylmethyl)butanoic acid

Systemtic Name: 4-phenyl-2-(phenylcarbonylsulfanylmethyl)butanoic acid Openeye Name: 2-(benzoylsulfanylmethyl)-4-phenyl-butanoic acid CAS Name: 2-[(benzoylthio)methyl]-4-phenylbutanoic acid IUPAC Name: 2-(benzoylsulfanylmethyl)-4-phenylbutanoic acid Traditional Name: 2-[(benzoylthio)methyl]-4-phenyl-butyric acid Formula: C18H18O3S MolecularWeight: 314.39872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(CSC(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(CSC(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H18O3S/c19-17(20)16(12-11-14-7-3-1-4-8-14)13-22-18(21)15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,20)