1,3-dinitrooxypropan-2-yl nitrate; propane-1,2-diol; trinitrate

Systemtic Name: 1,3-dinitrooxypropan-2-yl nitrate; propane-1,2-diol; trinitrate Openeye Name: 2,3-dinitrooxypropyl nitrate; propane-1,2-diol; trinitrate CAS Name: nitric acid 1,3-dinitrooxypropan-2-yl ester; propane-1,2-diol; trinitrate IUPAC Name: 1,3-dinitrooxypropan-2-yl nitrate; propane-1,2-diol; trinitrate Traditional Name: nitric acid 2,3-dinitrooxypropyl ester; propane-1,2-diol; trinitrate Formula: C6H13N6O20-3 MolecularWeight: 489.19562

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)O.C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]

Isomeric SMILES

CC(CO)O.C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]

InChI

InChI=1S/C3H5N3O9.C3H8O2.3NO3/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10;1-3(5)2-4;3*2-1(3)4/h3H,1-2H2;3-5H,2H2,1H3;;;/q;;3*-1