3-methyl-2-(phenylcarbonylsulfanylmethyl)butanoic acid

Systemtic Name: 3-methyl-2-(phenylcarbonylsulfanylmethyl)butanoic acid Openeye Name: 2-(benzoylsulfanylmethyl)-3-methyl-butanoic acid CAS Name: 2-[(benzoylthio)methyl]-3-methylbutanoic acid IUPAC Name: 2-(benzoylsulfanylmethyl)-3-methylbutanoic acid Traditional Name: 2-[(benzoylthio)methyl]-3-methyl-butyric acid Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O3S/c1-9(2)11(12(14)15)8-17-13(16)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,15)