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

Systemtic Name: N,N-bis(diphosphonatomethyl)-1,1-diphosphonato-methanamine; iron(3+) Openeye Name: tetraferric N,N-bis(diphosphonatomethyl)-1,1-diphosphonato-methanamine CAS Name: N,N-bis(diphosphonatomethyl)-1,1-diphosphonatomethanamine; iron(3+) IUPAC Name: N,N-bis(diphosphonatomethyl)-1,1-diphosphonatomethanamine; iron(3+) Traditional Name: tetraferric tris(diphosphonatomethyl)amine Formula: C3H3Fe4NO18P6 MolecularWeight: 750.274386

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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-].[Fe+3].[Fe+3].[Fe+3].[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-].[Fe+3].[Fe+3].[Fe+3].[Fe+3]

InChI

InChI=1S/C3H15NO18P6.4Fe/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);;;;/q;4*+3/p-12