3-ethanoylsulfanyl-5-phenyl-pentanoic acid

Systemtic Name: 3-ethanoylsulfanyl-5-phenyl-pentanoic acid Openeye Name: 3-acetylsulfanyl-5-phenyl-pentanoic acid CAS Name: 3-(acetylthio)-5-phenylpentanoic acid IUPAC Name: 3-acetylsulfanyl-5-phenylpentanoic acid Traditional Name: 3-(acetylthio)-5-phenyl-valeric acid Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CCC1=CC=CC=C1)CC(=O)O

Isomeric SMILES

CC(=O)SC(CCC1=CC=CC=C1)CC(=O)O

InChI

InChI=1S/C13H16O3S/c1-10(14)17-12(9-13(15)16)8-7-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,15,16)