methyl 9-(2H-1,2,3,4-tetrazol-5-ylmethyl)octadecanoate

Systemtic Name: methyl 9-(2H-1,2,3,4-tetrazol-5-ylmethyl)octadecanoate Openeye Name: methyl 9-(2H-tetrazol-5-ylmethyl)octadecanoate CAS Name: 9-(2H-tetrazol-5-ylmethyl)octadecanoic acid methyl ester IUPAC Name: methyl 9-(2H-tetrazol-5-ylmethyl)octadecanoate Traditional Name: 9-(2H-tetrazol-5-ylmethyl)stearic acid methyl ester Formula: C21H40N4O2 MolecularWeight: 380.5679

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCC(=O)OC)CC1=NNN=N1

Isomeric SMILES

CCCCCCCCCC(CCCCCCCC(=O)OC)CC1=NNN=N1

InChI

InChI=1S/C21H40N4O2/c1-3-4-5-6-7-9-12-15-19(18-20-22-24-25-23-20)16-13-10-8-11-14-17-21(26)27-2/h19H,3-18H2,1-2H3,(H,22,23,24,25)