disodium [phosphonatomethyl(3,5,5-trimethylhexyl)amino]methylphosphonic acid

Systemtic Name: disodium [phosphonatomethyl(3,5,5-trimethylhexyl)amino]methylphosphonic acid Openeye Name: disodium [phosphonatomethyl(3,5,5-trimethylhexyl)amino]methylphosphonic acid CAS Name: disodium [phosphonatomethyl(3,5,5-trimethylhexyl)amino]methylphosphonic acid IUPAC Name: disodium [phosphonatomethyl(3,5,5-trimethylhexyl)amino]methylphosphonic acid Traditional Name: disodium [phosphonatomethyl(3,5,5-trimethylhexyl)amino]methylphosphonic acid Formula: C11H25NNa2O6P2 MolecularWeight: 375.246362

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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+]

Isomeric SMILES

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

InChI

InChI=1S/C11H27NO6P2.2Na/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;2*+1/p-2