dicopper; copper; 5-nitro-1,10-phenanthroline-1,10-diide; terephthalic acid; hydrate; dihydrochloride

Systemtic Name: dicopper; copper; 5-nitro-1,10-phenanthroline-1,10-diide; terephthalic acid; hydrate; dihydrochloride Openeye Name: dicopper; copper; 5-nitro-1,10-phenanthroline-1,10-diide; terephthalic acid; hydrate; dihydrochloride CAS Name: dicopper; copper; 5-nitro-1,10-phenanthroline-1,10-diide; terephthalic acid; hydrate; dihydrochloride IUPAC Name: dicopper; copper; 5-nitro-1,10-phenanthroline-1,10-diide; terephthalic acid; hydrate; dihydrochloride Traditional Name: dicupric; copper; 5-nitro-1,10-phenanthroline-1,10-diide; terephthalic acid; hydrate; dihydrochloride Formula: C32H24Cl2Cu3N6O9 MolecularWeight: 898.11176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C12H7N3O2.C8H6O4.2ClH.3Cu.H2O/c2*16-15(17)10-7-8-3-1-5-13-11(8)12-9(10)4-2-6-14-12;9-7(10)5-1-2-6(4-3-5)8(11)12;;;;;;/h2*1-7H;1-4H,(H,9,10)(H,11,12);2*1H;;;;1H2/q2*-2;;;;;2*+2;