copper N-(2,4-dinitrophenyl)-1-(3-nitrophenyl)methanimine chloride trihydrate

Systemtic Name: copper N-(2,4-dinitrophenyl)-1-(3-nitrophenyl)methanimine chloride trihydrate Openeye Name: copper N-(2,4-dinitrophenyl)-1-(3-nitrophenyl)methanimine chloride trihydrate CAS Name: copper N-(2,4-dinitrophenyl)-1-(3-nitrophenyl)methanimine chloride trihydrate IUPAC Name: copper N-(2,4-dinitrophenyl)-1-(3-nitrophenyl)methanimine chloride trihydrate Traditional Name: cupric (2,4-dinitrophenyl)-(3-nitrobenzylidene)amine chloride trihydrate Formula: C26H22ClCuN8O15+ MolecularWeight: 785.49648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-].C1=CC(=CC(=C1)[N+](=O)[O-])C=NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-].O.O.O.[Cl-].[Cu+2]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C=NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-].C1=CC(=CC(=C1)[N+](=O)[O-])C=NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-].O.O.O.[Cl-].[Cu+2]

InChI

InChI=1S/2C13H8N4O6.ClH.Cu.3H2O/c2*18-15(19)10-3-1-2-9(6-10)8-14-12-5-4-11(16(20)21)7-13(12)17(22)23;;;;;/h2*1-8H;1H;;3*1H2/q;;;+2;;;/p-1