sodium 4-azanyl-1,1-diphosphono-butan-1-olate trihydrate

Systemtic Name: sodium 4-azanyl-1,1-diphosphono-butan-1-olate trihydrate Openeye Name: sodium 4-amino-1,1-diphosphono-butan-1-olate trihydrate CAS Name: sodium 4-amino-1,1-diphosphono-1-butanolate trihydrate IUPAC Name: sodium 4-amino-1,1-diphosphonobutan-1-olate trihydrate Traditional Name: sodium 4-amino-1,1-diphosphono-butan-1-olate trihydrate Formula: C4H18NNaO10P2 MolecularWeight: 325.123712

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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/C4H12NO7P2.Na.3H2O/c5-3-1-2-4(6,13(7,8)9)14(10,11)12;;;;/h1-3,5H2,(H2,7,8,9)(H2,10,11,12);;3*1H2/q-1;+1;;;