2-hexadecylsulfanylethyl pyridine-3-carboxylate

Systemtic Name: 2-hexadecylsulfanylethyl pyridine-3-carboxylate Openeye Name: 2-hexadecylsulfanylethyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 2-(hexadecylthio)ethyl ester IUPAC Name: 2-hexadecylsulfanylethyl pyridine-3-carboxylate Traditional Name: nicotinic acid 2-(cetylthio)ethyl ester Formula: C24H41NO2S MolecularWeight: 407.65284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCCOC(=O)C1=CN=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCSCCOC(=O)C1=CN=CC=C1

InChI

InChI=1S/C24H41NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-28-21-19-27-24(26)23-17-16-18-25-22-23/h16-18,22H,2-15,19-21H2,1H3