sodium (4-azanyl-1-oxidanyl-1-phosphono-butyl)phosphonic acid trihydrate

Systemtic Name: sodium (4-azanyl-1-oxidanyl-1-phosphono-butyl)phosphonic acid trihydrate Openeye Name: sodium (4-amino-1-hydroxy-1-phosphono-butyl)phosphonic acid trihydrate CAS Name: sodium (4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid trihydrate IUPAC Name: sodium (4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid trihydrate Traditional Name: sodium (4-amino-1-hydroxy-1-phosphono-butyl)phosphonic acid trihydrate Formula: C4H19NNaO10P2+ MolecularWeight: 326.131652

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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;;;