dicalcium 4-azanyl-1,1-diphosphonato-butan-1-ol

Systemtic Name: dicalcium 4-azanyl-1,1-diphosphonato-butan-1-ol Openeye Name: dicalcium 4-amino-1,1-diphosphonato-butan-1-ol CAS Name: dicalcium 4-amino-1,1-diphosphonato-1-butanol IUPAC Name: dicalcium 4-amino-1,1-diphosphonatobutan-1-ol Traditional Name: dicalcium 4-amino-1,1-diphosphonato-butan-1-ol Formula: C4H9Ca2NO7P2 MolecularWeight: 325.220282

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])CN.[Ca+2].[Ca+2]

Isomeric SMILES

C(CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])CN.[Ca+2].[Ca+2]

InChI

InChI=1S/C4H13NO7P2.2Ca/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);;/q;2*+2/p-4