dodecaazanium N,N-bis(diphosphonatomethyl)-1,1-diphosphonato-methanamine

Systemtic Name: dodecaazanium N,N-bis(diphosphonatomethyl)-1,1-diphosphonato-methanamine Openeye Name: dodecaammonium N,N-bis(diphosphonatomethyl)-1,1-diphosphonato-methanamine CAS Name: dodecaammonium N,N-bis(diphosphonatomethyl)-1,1-diphosphonatomethanamine IUPAC Name: dodecaazanium N,N-bis(diphosphonatomethyl)-1,1-diphosphonatomethanamine Traditional Name: dodecaammonium tris(diphosphonatomethyl)amine Formula: C3H51N13O18P6 MolecularWeight: 743.355906

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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+].[NH4+].[NH4+].[NH4+]

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+].[NH4+].[NH4+].[NH4+]

InChI

InChI=1S/C3H15NO18P6.12H3N/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);12*1H3