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

Systemtic Name: sodium 4-azanyl-1,1-diphosphono-butan-1-olate Openeye Name: sodium 4-amino-1,1-diphosphono-butan-1-olate CAS Name: sodium 4-amino-1,1-diphosphono-1-butanolate IUPAC Name: sodium 4-amino-1,1-diphosphonobutan-1-olate Traditional Name: sodium 4-amino-1,1-diphosphono-butan-1-olate Formula: C4H12NNaO7P2 MolecularWeight: 271.077872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C4H12NO7P2.Na/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);/q-1;+1