tetrasodium 4-azanyl-1,1-diphosphonato-butan-1-ol trihydrate

Systemtic Name: tetrasodium 4-azanyl-1,1-diphosphonato-butan-1-ol trihydrate Openeye Name: tetrasodium 4-amino-1,1-diphosphonato-butan-1-ol trihydrate CAS Name: tetrasodium 4-amino-1,1-diphosphonato-1-butanol trihydrate IUPAC Name: tetrasodium 4-amino-1,1-diphosphonatobutan-1-ol trihydrate Traditional Name: tetrasodium 4-amino-1,1-diphosphonato-butan-1-ol trihydrate Formula: C4H15NNa4O10P2 MolecularWeight: 391.069202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C4H13NO7P2.4Na.3H2O/c5-3-1-2-4(6,13(7,8)9)14(10,11)12;;;;;;;/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12);;;;;3*1H2/q;4*+1;;;/p-4