copper; copper; 5-nitrobenzene-1,3-dicarboxylic acid; 1,10-phenanthroline-1,10-diide; dihydrate

Systemtic Name: copper; copper; 5-nitrobenzene-1,3-dicarboxylic acid; 1,10-phenanthroline-1,10-diide; dihydrate Openeye Name: copper; copper; 5-nitrobenzene-1,3-dicarboxylic acid; 1,10-phenanthroline-1,10-diide; dihydrate CAS Name: copper; copper; 5-nitrobenzene-1,3-dicarboxylic acid; 1,10-phenanthroline-1,10-diide; dihydrate IUPAC Name: copper; copper; 5-nitrobenzene-1,3-dicarboxylic acid; 1,10-phenanthroline-1,10-diide; dihydrate Traditional Name: cupric; copper; 5-nitroisophthalic acid; 1,10-phenanthroline-1,10-diide; dihydrate Formula: C20H17Cu3N3O8 MolecularWeight: 618.00228

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[N-]C2=C3C(=CC=C[N-]3)C=CC2=C1.C1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O.O.O.[Cu].[Cu].[Cu+2]

Isomeric SMILES

C1=C[N-]C2=C3C(=CC=C[N-]3)C=CC2=C1.C1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O.O.O.[Cu].[Cu].[Cu+2]

InChI

InChI=1S/C12H8N2.C8H5NO6.3Cu.2H2O/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;;;;;/h1-8H;1-3H,(H,10,11)(H,12,13);;;;2*1H2/q-2;;;;+2;;