ethyl 8-(phenylmethylsulfanyl)octanoate

Systemtic Name: ethyl 8-(phenylmethylsulfanyl)octanoate Openeye Name: ethyl 8-benzylsulfanyloctanoate CAS Name: 8-(phenylmethylthio)octanoic acid ethyl ester IUPAC Name: ethyl 8-benzylsulfanyloctanoate Traditional Name: 8-(benzylthio)caprylic acid ethyl ester Formula: C17H26O2S MolecularWeight: 294.45214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCCSCC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)CCCCCCCSCC1=CC=CC=C1

InChI

InChI=1S/C17H26O2S/c1-2-19-17(18)13-9-4-3-5-10-14-20-15-16-11-7-6-8-12-16/h6-8,11-12H,2-5,9-10,13-15H2,1H3