pyridin-3-ylmethyl 8-nonylsulfanyloctanoate

Systemtic Name: pyridin-3-ylmethyl 8-nonylsulfanyloctanoate Openeye Name: 3-pyridylmethyl 8-nonylsulfanyloctanoate CAS Name: 8-(nonylthio)octanoic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl 8-nonylsulfanyloctanoate Traditional Name: 8-(nonylthio)caprylic acid 3-pyridylmethyl ester Formula: C23H39NO2S MolecularWeight: 393.62626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCSCCCCCCCC(=O)OCC1=CN=CC=C1

Isomeric SMILES

CCCCCCCCCSCCCCCCCC(=O)OCC1=CN=CC=C1

InChI

InChI=1S/C23H39NO2S/c1-2-3-4-5-6-9-12-18-27-19-13-10-7-8-11-16-23(25)26-21-22-15-14-17-24-20-22/h14-15,17,20H,2-13,16,18-19,21H2,1H3