N-octadecyloctadecan-1-amine; phosphonomethylphosphonic acid

Systemtic Name: N-octadecyloctadecan-1-amine; phosphonomethylphosphonic acid Openeye Name: N-octadecyloctadecan-1-amine; phosphonomethylphosphonic acid CAS Name: N-octadecyl-1-octadecanamine; phosphonomethylphosphonic acid IUPAC Name: N-octadecyloctadecan-1-amine; phosphonomethylphosphonic acid Traditional Name: distearylamine; phosphonomethylphosphonic acid Formula: C37H81NO6P2 MolecularWeight: 697.989662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCCCC.C(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCCCC.C(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C36H75N.CH6O6P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;2-8(3,4)1-9(5,6)7/h37H,3-36H2,1-2H3;1H2,(H2,2,3,4)(H2,5,6,7)