3-phenylsulfanylbutanoic acid; sodium

Systemtic Name: 3-phenylsulfanylbutanoic acid; sodium Openeye Name: 3-phenylsulfanylbutanoic acid; sodium CAS Name: 3-(phenylthio)butanoic acid; sodium IUPAC Name: 3-phenylsulfanylbutanoic acid; sodium Traditional Name: 3-(phenylthio)butyric acid; sodium Formula: C10H12NaO2S MolecularWeight: 219.25585

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)SC1=CC=CC=C1.[Na]

Isomeric SMILES

CC(CC(=O)O)SC1=CC=CC=C1.[Na]

InChI

InChI=1S/C10H12O2S.Na/c1-8(7-10(11)12)13-9-5-3-2-4-6-9;/h2-6,8H,7H2,1H3,(H,11,12);