3-[2-(2-ethanoylphenoxy)ethylsulfanyl]propanoic acid

Systemtic Name: 3-[2-(2-ethanoylphenoxy)ethylsulfanyl]propanoic acid Openeye Name: 3-[2-(2-acetylphenoxy)ethylsulfanyl]propanoic acid CAS Name: 3-[2-(2-acetylphenoxy)ethylthio]propanoic acid IUPAC Name: 3-[2-(2-acetylphenoxy)ethylsulfanyl]propanoic acid Traditional Name: 3-[2-(2-acetylphenoxy)ethylthio]propionic acid Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1OCCSCCC(=O)O

Isomeric SMILES

CC(=O)C1=CC=CC=C1OCCSCCC(=O)O

InChI

InChI=1S/C13H16O4S/c1-10(14)11-4-2-3-5-12(11)17-7-9-18-8-6-13(15)16/h2-5H,6-9H2,1H3,(H,15,16)