ethyl 6-(phenylmethylsulfanyl)octanoate

Systemtic Name: ethyl 6-(phenylmethylsulfanyl)octanoate Openeye Name: ethyl 6-benzylsulfanyloctanoate CAS Name: 6-(phenylmethylthio)octanoic acid ethyl ester IUPAC Name: ethyl 6-benzylsulfanyloctanoate Traditional Name: 6-(benzylthio)caprylic acid ethyl ester Formula: C17H26O2S MolecularWeight: 294.45214

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCCC(=O)OCC)SCC1=CC=CC=C1

Isomeric SMILES

CCC(CCCCC(=O)OCC)SCC1=CC=CC=C1

InChI

InChI=1S/C17H26O2S/c1-3-16(12-8-9-13-17(18)19-4-2)20-14-15-10-6-5-7-11-15/h5-7,10-11,16H,3-4,8-9,12-14H2,1-2H3