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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCC(=O)SC1=CC=CC=C1

Isomeric SMILES

CC(=O)OCCCCC(=O)SC1=CC=CC=C1

InChI

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