chloromethylphosphonic acid; 2-methylhenicosan-2-amine

Systemtic Name: chloromethylphosphonic acid; 2-methylhenicosan-2-amine Openeye Name: chloromethylphosphonic acid; 2-methylhenicosan-2-amine CAS Name: chloromethylphosphonic acid; 2-methyl-2-heneicosanamine IUPAC Name: chloromethylphosphonic acid; 2-methylhenicosan-2-amine Traditional Name: chloromethylphosphonic acid; 1,1-dimethyleicosylamine Formula: C45H98ClN2O3P MolecularWeight: 781.697981

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(C)(C)N.CCCCCCCCCCCCCCCCCCCC(C)(C)N.C(P(=O)(O)O)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(C)(C)N.CCCCCCCCCCCCCCCCCCCC(C)(C)N.C(P(=O)(O)O)Cl

InChI

InChI=1S/2C22H47N.CH4ClO3P/c2*1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)23;2-1-6(3,4)5/h2*4-21,23H2,1-3H3;1H2,(H2,3,4,5)