methyl 6-oxidanylidene-6-phenylsulfanyl-hexanoate

Systemtic Name: methyl 6-oxidanylidene-6-phenylsulfanyl-hexanoate Openeye Name: methyl 6-oxo-6-phenylsulfanyl-hexanoate CAS Name: 6-oxo-6-(phenylthio)hexanoic acid methyl ester IUPAC Name: methyl 6-oxo-6-phenylsulfanylhexanoate Traditional Name: 6-keto-6-(phenylthio)hexanoic acid methyl ester Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC(=O)SC1=CC=CC=C1

Isomeric SMILES

COC(=O)CCCCC(=O)SC1=CC=CC=C1

InChI

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