5-ethanoylsulfanyl-2-oxidanyl-3-oxidanylidene-4-phenyl-pentanoic acid

Systemtic Name: 5-ethanoylsulfanyl-2-oxidanyl-3-oxidanylidene-4-phenyl-pentanoic acid Openeye Name: 5-acetylsulfanyl-2-hydroxy-3-oxo-4-phenyl-pentanoic acid CAS Name: 5-(acetylthio)-2-hydroxy-3-oxo-4-phenylpentanoic acid IUPAC Name: 5-acetylsulfanyl-2-hydroxy-3-oxo-4-phenylpentanoic acid Traditional Name: 5-(acetylthio)-2-hydroxy-3-keto-4-phenyl-valeric acid Formula: C13H14O5S MolecularWeight: 282.31226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(C1=CC=CC=C1)C(=O)C(C(=O)O)O

Isomeric SMILES

CC(=O)SCC(C1=CC=CC=C1)C(=O)C(C(=O)O)O

InChI

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