methyl 4-oxidanylidene-2-phenylsulfanyl-hexanoate

Systemtic Name: methyl 4-oxidanylidene-2-phenylsulfanyl-hexanoate Openeye Name: methyl 4-oxo-2-phenylsulfanyl-hexanoate CAS Name: 4-oxo-2-(phenylthio)hexanoic acid methyl ester IUPAC Name: methyl 4-oxo-2-phenylsulfanylhexanoate Traditional Name: 4-keto-2-(phenylthio)hexanoic acid methyl ester Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC(C(=O)OC)SC1=CC=CC=C1

Isomeric SMILES

CCC(=O)CC(C(=O)OC)SC1=CC=CC=C1

InChI

InChI=1S/C13H16O3S/c1-3-10(14)9-12(13(15)16-2)17-11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3