N,N,N',N'-tetrakis(diphosphonatomethyl)hexane-1,6-diamine

Systemtic Name: N,N,N',N'-tetrakis(diphosphonatomethyl)hexane-1,6-diamine Openeye Name: N,N,N',N'-tetrakis(diphosphonatomethyl)hexane-1,6-diamine CAS Name: N,N,N',N'-tetrakis(diphosphonatomethyl)hexane-1,6-diamine IUPAC Name: N,N,N',N'-tetrakis(diphosphonatomethyl)hexane-1,6-diamine Traditional Name: 6-[bis(diphosphonatomethyl)amino]hexyl-bis(diphosphonatomethyl)amine Formula: C10H16N2O24P8-16 MolecularWeight: 796.023128

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCN(C(P(=O)([O-])[O-])P(=O)([O-])[O-])C(P(=O)([O-])[O-])P(=O)([O-])[O-])CCN(C(P(=O)([O-])[O-])P(=O)([O-])[O-])C(P(=O)([O-])[O-])P(=O)([O-])[O-]

Isomeric SMILES

C(CCCN(C(P(=O)([O-])[O-])P(=O)([O-])[O-])C(P(=O)([O-])[O-])P(=O)([O-])[O-])CCN(C(P(=O)([O-])[O-])P(=O)([O-])[O-])C(P(=O)([O-])[O-])P(=O)([O-])[O-]

InChI

InChI=1S/C10H32N2O24P8/c13-37(14,15)7(38(16,17)18)11(8(39(19,20)21)40(22,23)24)5-3-1-2-4-6-12(9(41(25,26)27)42(28,29)30)10(43(31,32)33)44(34,35)36/h7-10H,1-6H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)/p-16