3-(phenylmethylsulfanyl)butanoic acid

Systemtic Name: 3-(phenylmethylsulfanyl)butanoic acid Openeye Name: 3-benzylsulfanylbutanoic acid CAS Name: 3-(phenylmethylthio)butanoic acid IUPAC Name: 3-benzylsulfanylbutanoic acid Traditional Name: 3-(benzylthio)butyric acid Formula: C11H14O2S MolecularWeight: 210.29266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14O2S/c1-9(7-11(12)13)14-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,13)