tetraazanium 3,5,5-trimethyl-N,N-bis(phosphonatomethyl)hexan-1-amine

Systemtic Name: tetraazanium 3,5,5-trimethyl-N,N-bis(phosphonatomethyl)hexan-1-amine Openeye Name: tetraammonium 3,5,5-trimethyl-N,N-bis(phosphonatomethyl)hexan-1-amine CAS Name: tetraammonium 3,5,5-trimethyl-N,N-bis(phosphonatomethyl)-1-hexanamine IUPAC Name: tetraazanium 3,5,5-trimethyl-N,N-bis(phosphonatomethyl)hexan-1-amine Traditional Name: tetraammonium bis(phosphonatomethyl)-(3,5,5-trimethylhexyl)amine Formula: C11H39N5O6P2 MolecularWeight: 399.404782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CC(C)(C)C.[NH4+].[NH4+].[NH4+].[NH4+]

Isomeric SMILES

CC(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CC(C)(C)C.[NH4+].[NH4+].[NH4+].[NH4+]

InChI

InChI=1S/C11H27NO6P2.4H3N/c1-10(7-11(2,3)4)5-6-12(8-19(13,14)15)9-20(16,17)18;;;;/h10H,5-9H2,1-4H3,(H2,13,14,15)(H2,16,17,18);4*1H3