2-[2-(3-ethanoylsulfanylpropanoyl)phenyl]-2-oxidanyl-ethanoic acid

Systemtic Name: 2-[2-(3-ethanoylsulfanylpropanoyl)phenyl]-2-oxidanyl-ethanoic acid Openeye Name: 2-[2-(3-acetylsulfanylpropanoyl)phenyl]-2-hydroxy-acetic acid CAS Name: 2-[2-[3-(acetylthio)-1-oxopropyl]phenyl]-2-hydroxyacetic acid IUPAC Name: 2-[2-(3-acetylsulfanylpropanoyl)phenyl]-2-hydroxyacetic acid Traditional Name: 2-[2-[3-(acetylthio)propanoyl]phenyl]-2-hydroxy-acetic acid Formula: C13H14O5S MolecularWeight: 282.31226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(=O)C1=CC=CC=C1C(C(=O)O)O

Isomeric SMILES

CC(=O)SCCC(=O)C1=CC=CC=C1C(C(=O)O)O

InChI

InChI=1S/C13H14O5S/c1-8(14)19-7-6-11(15)9-4-2-3-5-10(9)12(16)13(17)18/h2-5,12,16H,6-7H2,1H3,(H,17,18)