copper 2,9-dimethyl-1,10-phenanthroline dinitrate hydrate

Systemtic Name: copper 2,9-dimethyl-1,10-phenanthroline dinitrate hydrate Openeye Name: copper 2,9-dimethyl-1,10-phenanthroline dinitrate hydrate CAS Name: copper 2,9-dimethyl-1,10-phenanthroline dinitrate hydrate IUPAC Name: copper 2,9-dimethyl-1,10-phenanthroline dinitrate hydrate Traditional Name: cupric 2,9-dimethyl-1,10-phenanthroline dinitrate hydrate Formula: C28H26CuN6O7 MolecularWeight: 622.08804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)C.CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)C.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.[Cu+2]

Isomeric SMILES

CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)C.CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)C.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.[Cu+2]

InChI

InChI=1S/2C14H12N2.Cu.2NO3.H2O/c2*1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;;2*2-1(3)4;/h2*3-8H,1-2H3;;;;1H2/q;;+2;2*-1;