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

Systemtic Name: tetrasodium 4-azanyl-1,1-diphosphonato-butan-1-ol hydrate Openeye Name: tetrasodium 4-amino-1,1-diphosphonato-butan-1-ol hydrate CAS Name: tetrasodium 4-amino-1,1-diphosphonato-1-butanol hydrate IUPAC Name: tetrasodium 4-amino-1,1-diphosphonatobutan-1-ol hydrate Traditional Name: tetrasodium 4-amino-1,1-diphosphonato-butan-1-ol hydrate Formula: C4H11NNa4O8P2 MolecularWeight: 355.038642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C4H13NO7P2.4Na.H2O/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);;;;;1H2/q;4*+1;/p-4