copper; 4,6-dicarboxybenzene-1,3-dicarboxylate; 1H-imidazole; trihydrate

Systemtic Name: copper; 4,6-dicarboxybenzene-1,3-dicarboxylate; 1H-imidazole; trihydrate Openeye Name: copper; 4,6-dicarboxybenzene-1,3-dicarboxylate; imidazole; trihydrate CAS Name: copper; 4,6-dicarboxybenzene-1,3-dicarboxylate; 1H-imidazole; trihydrate IUPAC Name: copper; 4,6-dicarboxybenzene-1,3-dicarboxylate; 1H-imidazole; trihydrate Traditional Name: copper; 4,6-dicarboxyisophthalate; glyoxaline; trihydrate Formula: C16H18Cu2N4O11-2 MolecularWeight: 569.42632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CN1.C1=CN=CN1.C1=C(C(=CC(=C1C(=O)O)C(=O)[O-])C(=O)[O-])C(=O)O.O.O.O.[Cu].[Cu]

Isomeric SMILES

C1=CN=CN1.C1=CN=CN1.C1=C(C(=CC(=C1C(=O)O)C(=O)[O-])C(=O)[O-])C(=O)O.O.O.O.[Cu].[Cu]

InChI

InChI=1S/C10H6O8.2C3H4N2.2Cu.3H2O/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16;2*1-2-5-3-4-1;;;;;/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);2*1-3H,(H,4,5);;;3*1H2/p-2