nonaazanium; N,N-bis(diphosphonatomethyl)-1,1-diphosphonato-methanamine; iron(3+)

Systemtic Name: nonaazanium; N,N-bis(diphosphonatomethyl)-1,1-diphosphonato-methanamine; iron(3+) Openeye Name: nonaammonium ferric N,N-bis(diphosphonatomethyl)-1,1-diphosphonato-methanamine CAS Name: nonaammonium; N,N-bis(diphosphonatomethyl)-1,1-diphosphonatomethanamine; iron(3+) IUPAC Name: nonaazanium; N,N-bis(diphosphonatomethyl)-1,1-diphosphonatomethanamine; iron(3+) Traditional Name: nonaammonium ferric tris(diphosphonatomethyl)amine Formula: C3H39FeN10O18P6 MolecularWeight: 745.085526

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Descriptors Computed from Structure

Canonical SMILES:

C(N(C(P(=O)([O-])[O-])P(=O)([O-])[O-])C(P(=O)([O-])[O-])P(=O)([O-])[O-])(P(=O)([O-])[O-])P(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[Fe+3]

Isomeric SMILES

C(N(C(P(=O)([O-])[O-])P(=O)([O-])[O-])C(P(=O)([O-])[O-])P(=O)([O-])[O-])(P(=O)([O-])[O-])P(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[Fe+3]

InChI

InChI=1S/C3H15NO18P6.Fe.9H3N/c5-23(6,7)1(24(8,9)10)4(2(25(11,12)13)26(14,15)16)3(27(17,18)19)28(20,21)22;;;;;;;;;;/h1-3H,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22);;9*1H3/q;+3;;;;;;;;;/p-3