dodecylazanium; 2-(phosphonatomethylamino)ethanoate

Systemtic Name: dodecylazanium; 2-(phosphonatomethylamino)ethanoate Openeye Name: dodecylammonium; 2-(phosphonatomethylamino)acetate CAS Name: dodecylammonium; 2-(phosphonatomethylamino)acetate IUPAC Name: dodecylazanium; 2-(phosphonatomethylamino)acetate Traditional Name: laurylammonium; 2-(phosphonatomethylamino)acetate Formula: C39H89N4O5P MolecularWeight: 725.121521

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[NH3+].CCCCCCCCCCCC[NH3+].CCCCCCCCCCCC[NH3+].C(C(=O)[O-])NCP(=O)([O-])[O-]

Isomeric SMILES

CCCCCCCCCCCC[NH3+].CCCCCCCCCCCC[NH3+].CCCCCCCCCCCC[NH3+].C(C(=O)[O-])NCP(=O)([O-])[O-]

InChI

InChI=1S/3C12H27N.C3H8NO5P/c3*1-2-3-4-5-6-7-8-9-10-11-12-13;5-3(6)1-4-2-10(7,8)9/h3*2-13H2,1H3;4H,1-2H2,(H,5,6)(H2,7,8,9)