dioxidanium; copper(1+); 4-nitrobenzoic acid; 4-nitrocyclohexane-1-carboxylic acid; piperidin-1-ide; 2H-pyridin-1-ide; dihydrate

Systemtic Name: dioxidanium; copper(1+); 4-nitrobenzoic acid; 4-nitrocyclohexane-1-carboxylic acid; piperidin-1-ide; 2H-pyridin-1-ide; dihydrate Openeye Name: dicuprous; dioxonium; 4-nitrobenzoic acid; 4-nitrocyclohexanecarboxylic acid; piperidin-1-ide; 2H-pyridin-1-ide; dihydrate CAS Name: dioxonium; copper(1+); 4-nitrobenzoic acid; 4-nitro-1-cyclohexanecarboxylic acid; piperidin-1-ide; 2H-pyridin-1-ide; dihydrate IUPAC Name: dioxidanium; copper(1+); 4-nitrobenzoic acid; 4-nitrocyclohexane-1-carboxylic acid; piperidin-1-ide; 2H-pyridin-1-ide; dihydrate Traditional Name: dicuprous; dioxonium; 4-nitrobenzoic acid; 4-nitrocyclohexanecarboxylic acid; piperidin-1-ide; 2H-pyridin-1-ide; dihydrate Formula: C38H58Cu2N6O20+2 MolecularWeight: 1045.98732

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N-]CC1.C1CC(CCC1C(=O)O)[N+](=O)[O-].C1CC(CCC1C(=O)O)[N+](=O)[O-].C1C=CC=C[N-]1.C1=CC(=CC=C1C(=O)O)[N+](=O)[O-].C1=CC(=CC=C1C(=O)O)[N+](=O)[O-].[OH3+].[OH3+].O.O.[Cu+].[Cu+]

Isomeric SMILES

C1CC[N-]CC1.C1CC(CCC1C(=O)O)[N+](=O)[O-].C1CC(CCC1C(=O)O)[N+](=O)[O-].C1C=CC=C[N-]1.C1=CC(=CC=C1C(=O)O)[N+](=O)[O-].C1=CC(=CC=C1C(=O)O)[N+](=O)[O-].[OH3+].[OH3+].O.O.[Cu+].[Cu+]

InChI

InChI=1S/2C7H11NO4.2C7H5NO4.C5H10N.C5H6N.2Cu.4H2O/c4*9-7(10)5-1-3-6(4-2-5)8(11)12;2*1-2-4-6-5-3-1;;;;;;/h2*5-6H,1-4H2,(H,9,10);2*1-4H,(H,9,10);1-5H2;1-4H,5H2;;;4*1H2/q;;;;2*-1;2*+1;;;;/p+2