barium(2+); (1-nitrooxy-3-phosphonato-propan-2-yl) nitrate

Systemtic Name: barium(2+); (1-nitrooxy-3-phosphonato-propan-2-yl) nitrate Openeye Name: barium(2+); [1-(nitrooxymethyl)-2-phosphonato-ethyl] nitrate CAS Name: barium(2+); nitric acid (1-nitrooxy-3-phosphonatopropan-2-yl) ester IUPAC Name: barium(2+); (1-nitrooxy-3-phosphonatopropan-2-yl) nitrate Traditional Name: barium(2+); nitric acid [1-(nitrooxymethyl)-2-phosphonato-ethyl] ester Formula: C3H5BaN2O9P MolecularWeight: 381.380561

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Descriptors Computed from Structure

Canonical SMILES:

C(C(CP(=O)([O-])[O-])O[N+](=O)[O-])O[N+](=O)[O-].[Ba+2]

Isomeric SMILES

C(C(CP(=O)([O-])[O-])O[N+](=O)[O-])O[N+](=O)[O-].[Ba+2]

InChI

InChI=1S/C3H7N2O9P.Ba/c6-4(7)13-1-3(14-5(8)9)2-15(10,11)12;/h3H,1-2H2,(H2,10,11,12);/q;+2/p-2