copper; oxidanium; benzene-1,3-dicarboxylic acid; copper; 1,10-phenanthroline-1,10-diide; hydrate

Systemtic Name: copper; oxidanium; benzene-1,3-dicarboxylic acid; copper; 1,10-phenanthroline-1,10-diide; hydrate Openeye Name: copper; oxonium; copper; isophthalic acid; 1,10-phenanthroline-1,10-diide; hydrate CAS Name: copper; oxonium; benzene-1,3-dicarboxylic acid; copper; 1,10-phenanthroline-1,10-diide; hydrate IUPAC Name: copper; oxidanium; benzene-1,3-dicarboxylic acid; copper; 1,10-phenanthroline-1,10-diide; hydrate Traditional Name: cupric; oxonium; copper; isophthalic acid; 1,10-phenanthroline-1,10-diide; hydrate Formula: C20H19Cu2N2O6+ MolecularWeight: 510.46666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=C[N-]C2=C3C(=CC=C[N-]3)C=CC2=C1.[OH3+].O.[Cu].[Cu+2]

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=C[N-]C2=C3C(=CC=C[N-]3)C=CC2=C1.[OH3+].O.[Cu].[Cu+2]

InChI

InChI=1S/C12H8N2.C8H6O4.2Cu.2H2O/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;9-7(10)5-2-1-3-6(4-5)8(11)12;;;;/h1-8H;1-4H,(H,9,10)(H,11,12);;;2*1H2/q-2;;;+2;;/p+1