(5-oxidanylidene-1-phenylsulfanyl-pentyl) ethanoate

Systemtic Name: (5-oxidanylidene-1-phenylsulfanyl-pentyl) ethanoate Openeye Name: (5-oxo-1-phenylsulfanyl-pentyl) acetate CAS Name: acetic acid [5-oxo-1-(phenylthio)pentyl] ester IUPAC Name: (5-oxo-1-phenylsulfanylpentyl) acetate Traditional Name: acetic acid [5-keto-1-(phenylthio)pentyl] ester Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCCC=O)SC1=CC=CC=C1

Isomeric SMILES

CC(=O)OC(CCCC=O)SC1=CC=CC=C1

InChI

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