(4-chloranyl-6-octadecoxy-1,3,5-triazin-2-yl)methyl 2-cyanoethanoate

Systemtic Name: (4-chloranyl-6-octadecoxy-1,3,5-triazin-2-yl)methyl 2-cyanoethanoate Openeye Name: (4-chloro-6-octadecoxy-1,3,5-triazin-2-yl)methyl 2-cyanoacetate CAS Name: 2-cyanoacetic acid (4-chloro-6-octadecoxy-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4-chloro-6-octadecoxy-1,3,5-triazin-2-yl)methyl 2-cyanoacetate Traditional Name: 2-cyanoacetic acid (4-chloro-6-stearyloxy-s-triazin-2-yl)methyl ester Formula: C25H41ClN4O3 MolecularWeight: 481.07104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=NC(=NC(=N1)COC(=O)CC#N)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=NC(=NC(=N1)COC(=O)CC#N)Cl

InChI

InChI=1S/C25H41ClN4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-32-25-29-22(28-24(26)30-25)21-33-23(31)18-19-27/h2-18,20-21H2,1H3