3-ethanoylsulfanyl-2-phenyl-propanoic acid

Systemtic Name: 3-ethanoylsulfanyl-2-phenyl-propanoic acid Openeye Name: 3-acetylsulfanyl-2-phenyl-propanoic acid CAS Name: 3-(acetylthio)-2-phenylpropanoic acid IUPAC Name: 3-acetylsulfanyl-2-phenylpropanoic acid Traditional Name: 3-(acetylthio)-2-phenyl-propionic acid Formula: C11H12O3S MolecularWeight: 224.27618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12O3S/c1-8(12)15-7-10(11(13)14)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,13,14)