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

Systemtic Name: sodium 4-azanyl-1,1-diphosphonato-butan-1-ol trihydrate Openeye Name: sodium 4-amino-1,1-diphosphonato-butan-1-ol trihydrate CAS Name: sodium 4-amino-1,1-diphosphonato-1-butanol trihydrate IUPAC Name: sodium 4-amino-1,1-diphosphonatobutan-1-ol trihydrate Traditional Name: sodium 4-amino-1,1-diphosphonato-butan-1-ol trihydrate Formula: C4H15NNaO10P2-3 MolecularWeight: 322.099892

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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+]

Isomeric SMILES

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

InChI

InChI=1S/C4H13NO7P2.Na.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;+1;;;/p-4