trisodium [3-[methyl(pentyl)amino]-1-oxidanyl-1-phosphonato-propyl]-oxidanyl-phosphinate hydrate

Systemtic Name: trisodium [3-[methyl(pentyl)amino]-1-oxidanyl-1-phosphonato-propyl]-oxidanyl-phosphinate hydrate Openeye Name: trisodium hydroxy-[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonato-propyl]phosphinate hydrate CAS Name: trisodium hydroxy-[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonatopropyl]phosphinate hydrate IUPAC Name: trisodium hydroxy-[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonatopropyl]phosphinate hydrate Traditional Name: trisodium [3-[amyl(methyl)amino]-1-hydroxy-1-phosphonato-propyl]-hydroxy-phosphinate hydrate Formula: C9H22NNa3O8P2 MolecularWeight: 403.189712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H23NO7P2.3Na.H2O/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17;;;;/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17);;;;1H2/q;3*+1;/p-3