copper; (4-nitrophenyl)methanediol; dihydrate

Systemtic Name: copper; (4-nitrophenyl)methanediol; dihydrate Openeye Name: copper; (4-nitrophenyl)methanediol; dihydrate CAS Name: copper; (4-nitrophenyl)methanediol; dihydrate IUPAC Name: copper; (4-nitrophenyl)methanediol; dihydrate Traditional Name: copper; (4-nitrophenyl)methanediol; dihydrate Formula: C28H32Cu2N4O18 MolecularWeight: 839.66168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(O)O)[N+](=O)[O-].C1=CC(=CC=C1C(O)O)[N+](=O)[O-].C1=CC(=CC=C1C(O)O)[N+](=O)[O-].C1=CC(=CC=C1C(O)O)[N+](=O)[O-].O.O.[Cu].[Cu]

Isomeric SMILES

C1=CC(=CC=C1C(O)O)[N+](=O)[O-].C1=CC(=CC=C1C(O)O)[N+](=O)[O-].C1=CC(=CC=C1C(O)O)[N+](=O)[O-].C1=CC(=CC=C1C(O)O)[N+](=O)[O-].O.O.[Cu].[Cu]

InChI

InChI=1S/4C7H7NO4.2Cu.2H2O/c4*9-7(10)5-1-3-6(4-2-5)8(11)12;;;;/h4*1-4,7,9-10H;;;2*1H2