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

Systemtic Name: dodecapotassium N,N-bis(diphosphonatomethyl)-1,1-diphosphonato-methanamine oxide Openeye Name: dodecapotassium N,N-bis(diphosphonatomethyl)-1,1-diphosphonato-methanamine oxide CAS Name: dodecapotassium N,N-bis(diphosphonatomethyl)-1,1-diphosphonatomethanamine oxide IUPAC Name: dodecapotassium N,N-bis(diphosphonatomethyl)-1,1-diphosphonatomethanamine oxide Traditional Name: dodecapotassium N,N-bis(diphosphonatomethyl)-1,1-diphosphonato-methanamine oxide Formula: C3H3K12NO19P6 MolecularWeight: 1012.073386

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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-])[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-])[O-])(P(=O)([O-])[O-])P(=O)([O-])[O-].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+]

InChI

InChI=1S/C3H15NO19P6.12K/c5-4(1(24(6,7)8)25(9,10)11,2(26(12,13)14)27(15,16)17)3(28(18,19)20)29(21,22)23;;;;;;;;;;;;/h1-3H,(H2,6,7,8)(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)(H2,21,22,23);;;;;;;;;;;;/q;12*+1/p-12