ethyl 2-oxidanylidene-3-phenylsulfanyl-octanoate

Systemtic Name: ethyl 2-oxidanylidene-3-phenylsulfanyl-octanoate Openeye Name: ethyl 2-oxo-3-phenylsulfanyl-octanoate CAS Name: 2-oxo-3-(phenylthio)octanoic acid ethyl ester IUPAC Name: ethyl 2-oxo-3-phenylsulfanyloctanoate Traditional Name: 2-keto-3-(phenylthio)caprylic acid ethyl ester Formula: C16H22O3S MolecularWeight: 294.40908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(=O)C(=O)OCC)SC1=CC=CC=C1

Isomeric SMILES

CCCCCC(C(=O)C(=O)OCC)SC1=CC=CC=C1

InChI

InChI=1S/C16H22O3S/c1-3-5-7-12-14(15(17)16(18)19-4-2)20-13-10-8-6-9-11-13/h6,8-11,14H,3-5,7,12H2,1-2H3