2-(4-ethanoylphenoxy)-5-sulfanyl-pentanoic acid

Systemtic Name: 2-(4-ethanoylphenoxy)-5-sulfanyl-pentanoic acid Openeye Name: 2-(4-acetylphenoxy)-5-sulfanyl-pentanoic acid CAS Name: 2-(4-acetylphenoxy)-5-mercaptopentanoic acid IUPAC Name: 2-(4-acetylphenoxy)-5-sulfanylpentanoic acid Traditional Name: 2-(4-acetylphenoxy)-5-mercapto-valeric acid Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(CCCS)C(=O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC(CCCS)C(=O)O

InChI

InChI=1S/C13H16O4S/c1-9(14)10-4-6-11(7-5-10)17-12(13(15)16)3-2-8-18/h4-7,12,18H,2-3,8H2,1H3,(H,15,16)