hexadecyl 6-(2H-1,2,3,4-tetrazol-5-yl)pyridine-3-carboxylate

Systemtic Name: hexadecyl 6-(2H-1,2,3,4-tetrazol-5-yl)pyridine-3-carboxylate Openeye Name: hexadecyl 6-(2H-tetrazol-5-yl)pyridine-3-carboxylate CAS Name: 6-(2H-tetrazol-5-yl)-3-pyridinecarboxylic acid hexadecyl ester IUPAC Name: hexadecyl 6-(2H-tetrazol-5-yl)pyridine-3-carboxylate Traditional Name: 6-(2H-tetrazol-5-yl)nicotinic acid cetyl ester Formula: C23H37N5O2 MolecularWeight: 415.57218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=CN=C(C=C1)C2=NNN=N2

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CN=C(C=C1)C2=NNN=N2

InChI

InChI=1S/C23H37N5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-30-23(29)20-16-17-21(24-19-20)22-25-27-28-26-22/h16-17,19H,2-15,18H2,1H3,(H,25,26,27,28)