3-methyl-3-(phenylmethylsulfanyl)butanoic acid

Systemtic Name: 3-methyl-3-(phenylmethylsulfanyl)butanoic acid Openeye Name: 3-benzylsulfanyl-3-methyl-butanoic acid CAS Name: 3-methyl-3-(phenylmethylthio)butanoic acid IUPAC Name: 3-benzylsulfanyl-3-methylbutanoic acid Traditional Name: 3-(benzylthio)-3-methyl-butyric acid Formula: C12H16O2S MolecularWeight: 224.31924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)O)SCC1=CC=CC=C1

Isomeric SMILES

CC(C)(CC(=O)O)SCC1=CC=CC=C1

InChI

InChI=1S/C12H16O2S/c1-12(2,8-11(13)14)15-9-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,13,14)