trisodium oxidanyl-[[phosphonatomethyl(3,5,5-trimethylhexyl)amino]methyl]phosphinate

Systemtic Name: trisodium oxidanyl-[[phosphonatomethyl(3,5,5-trimethylhexyl)amino]methyl]phosphinate Openeye Name: trisodium hydroxy-[[phosphonatomethyl(3,5,5-trimethylhexyl)amino]methyl]phosphinate CAS Name: trisodium hydroxy-[[phosphonatomethyl(3,5,5-trimethylhexyl)amino]methyl]phosphinate IUPAC Name: trisodium hydroxy-[[phosphonatomethyl(3,5,5-trimethylhexyl)amino]methyl]phosphinate Traditional Name: trisodium hydroxy-[[phosphonatomethyl(3,5,5-trimethylhexyl)amino]methyl]phosphinate Formula: C11H24NNa3O6P2 MolecularWeight: 397.228192

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN(CP(=O)(O)[O-])CP(=O)([O-])[O-])CC(C)(C)C.[Na+].[Na+].[Na+]

Isomeric SMILES

CC(CCN(CP(=O)(O)[O-])CP(=O)([O-])[O-])CC(C)(C)C.[Na+].[Na+].[Na+]

InChI

InChI=1S/C11H27NO6P2.3Na/c1-10(7-11(2,3)4)5-6-12(8-19(13,14)15)9-20(16,17)18;;;/h10H,5-9H2,1-4H3,(H2,13,14,15)(H2,16,17,18);;;/q;3*+1/p-3