tricalcium 3-azanyl-1,1-diphosphonato-propan-1-ol

Systemtic Name: tricalcium 3-azanyl-1,1-diphosphonato-propan-1-ol Openeye Name: tricalcium 3-amino-1,1-diphosphonato-propan-1-ol CAS Name: tricalcium 3-amino-1,1-diphosphonato-1-propanol IUPAC Name: tricalcium 3-amino-1,1-diphosphonatopropan-1-ol Traditional Name: tricalcium 3-amino-1,1-diphosphonato-propan-1-ol Formula: C6H14Ca3N2O14P4-2 MolecularWeight: 582.309404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C3H11NO7P2.3Ca/c2*4-2-1-3(5,12(6,7)8)13(9,10)11;;;/h2*5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11);;;/q;;3*+2/p-8