magnesium; 2,4-dinitrocyclohexan-1-olate; 2,4-dinitrophenolate; piperidin-1-ide

Systemtic Name: magnesium; 2,4-dinitrocyclohexan-1-olate; 2,4-dinitrophenolate; piperidin-1-ide Openeye Name: magnesium; 2,4-dinitrocyclohexanolate; 2,4-dinitrophenolate; piperidin-1-ide CAS Name: magnesium; 2,4-dinitro-1-cyclohexanolate; 2,4-dinitrophenolate; piperidin-1-ide IUPAC Name: magnesium; 2,4-dinitrocyclohexan-1-olate; 2,4-dinitrophenolate; piperidin-1-ide Traditional Name: magnesium; 2,4-dinitrocyclohexanolate; 2,4-dinitrophenolate; piperidin-1-ide Formula: C22H32MgN6O10-2 MolecularWeight: 564.82868

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N-]CC1.C1CC[N-]CC1.C1CC(C(CC1[N+](=O)[O-])[N+](=O)[O-])[O-].C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[O-].[Mg+2]

Isomeric SMILES

C1CC[N-]CC1.C1CC[N-]CC1.C1CC(C(CC1[N+](=O)[O-])[N+](=O)[O-])[O-].C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[O-].[Mg+2]

InChI

InChI=1S/C6H9N2O5.C6H4N2O5.2C5H10N.Mg/c2*9-6-2-1-4(7(10)11)3-5(6)8(12)13;2*1-2-4-6-5-3-1;/h4-6H,1-3H2;1-3,9H;2*1-5H2;/q-1;;2*-1;+2/p-1