2-(ethanoylsulfanylmethyl)-4-phenoxy-butanoic acid

Systemtic Name: 2-(ethanoylsulfanylmethyl)-4-phenoxy-butanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-4-phenoxy-butanoic acid CAS Name: 2-[(acetylthio)methyl]-4-phenoxybutanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-4-phenoxybutanoic acid Traditional Name: 2-[(acetylthio)methyl]-4-phenoxy-butyric acid Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CCOC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(=O)SCC(CCOC1=CC=CC=C1)C(=O)O

InChI

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