trisodium [[diphosphonomethyl(hexyl)amino]-phosphonato-methyl]-oxidanyl-phosphinate

Systemtic Name: trisodium [[diphosphonomethyl(hexyl)amino]-phosphonato-methyl]-oxidanyl-phosphinate Openeye Name: trisodium [[diphosphonomethyl(hexyl)amino]-phosphonato-methyl]-hydroxy-phosphinate CAS Name: trisodium [[diphosphonomethyl(hexyl)amino]-phosphonatomethyl]-hydroxyphosphinate IUPAC Name: trisodium [[diphosphonomethyl(hexyl)amino]-phosphonatomethyl]-hydroxyphosphinate Traditional Name: trisodium [[diphosphonomethyl(hexyl)amino]-phosphonato-methyl]-hydroxy-phosphinate Formula: C8H20NNa3O12P4 MolecularWeight: 515.108254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C(P(=O)(O)O)P(=O)(O)O)C(P(=O)(O)[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CCCCCCN(C(P(=O)(O)O)P(=O)(O)O)C(P(=O)(O)[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C8H23NO12P4.3Na/c1-2-3-4-5-6-9(7(22(10,11)12)23(13,14)15)8(24(16,17)18)25(19,20)21;;;/h7-8H,2-6H2,1H3,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21);;;/q;3*+1/p-3