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

Systemtic Name: dodecapotassium N,N-bis(diphosphonatomethyl)-1,1-diphosphonato-methanamine Openeye Name: dodecapotassium N,N-bis(diphosphonatomethyl)-1,1-diphosphonato-methanamine CAS Name: dodecapotassium N,N-bis(diphosphonatomethyl)-1,1-diphosphonatomethanamine IUPAC Name: dodecapotassium N,N-bis(diphosphonatomethyl)-1,1-diphosphonatomethanamine Traditional Name: dodecapotassium tris(diphosphonatomethyl)amine Formula: C3H3K12NO18P6 MolecularWeight: 996.073986

Click to see the large picture

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-].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+]

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-].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+]

InChI

InChI=1S/C3H15NO18P6.12K/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;12*+1/p-12