3-phenyl-2-(phenylcarbonylsulfanylmethyl)butanoic acid

Systemtic Name: 3-phenyl-2-(phenylcarbonylsulfanylmethyl)butanoic acid Openeye Name: 2-(benzoylsulfanylmethyl)-3-phenyl-butanoic acid CAS Name: 2-[(benzoylthio)methyl]-3-phenylbutanoic acid IUPAC Name: 2-(benzoylsulfanylmethyl)-3-phenylbutanoic acid Traditional Name: 2-[(benzoylthio)methyl]-3-phenyl-butyric acid Formula: C18H18O3S MolecularWeight: 314.39872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18O3S/c1-13(14-8-4-2-5-9-14)16(17(19)20)12-22-18(21)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3,(H,19,20)