N,N-diethyl-N'-pentacosyl-N'-tetracosyl-methanediamine

Systemtic Name: N,N-diethyl-N'-pentacosyl-N'-tetracosyl-methanediamine Openeye Name: N,N-diethyl-N'-pentacosyl-N'-tetracosyl-methanediamine CAS Name: N,N-diethyl-N'-pentacosyl-N'-tetracosylmethanediamine IUPAC Name: N,N-diethyl-N'-pentacosyl-N'-tetracosylmethanediamine Traditional Name: diethyl-[[lignoceryl(pentacosyl)amino]methyl]amine Formula: C54H112N2 MolecularWeight: 789.48048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCCCCCCCC)CN(CC)CC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCCCCCCCC)CN(CC)CC

InChI

InChI=1S/C54H112N2/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-56(54-55(7-3)8-4)52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-6-2/h5-54H2,1-4H3