dioxidanium; copper; 6-oxidanylidene-5-[(2-pyridin-2-ylethylamino)methylidene]cyclohexa-1,3-diene-1-carboxylic acid

Systemtic Name: dioxidanium; copper; 6-oxidanylidene-5-[(2-pyridin-2-ylethylamino)methylidene]cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: dioxonium; copper; 6-oxo-5-[[2-(2-pyridyl)ethylamino]methylene]cyclohexa-1,3-diene-1-carboxylic acid CAS Name: dioxonium; copper; 6-oxo-5-[[2-(2-pyridinyl)ethylamino]methylidene]-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: dioxidanium; copper; 6-oxo-5-[(2-pyridin-2-ylethylamino)methylidene]cyclohexa-1,3-diene-1-carboxylic acid Traditional Name: dioxonium; copper; 6-keto-5-[[2-(2-pyridyl)ethylamino]methylene]cyclohexa-1,3-diene-1-carboxylic acid Formula: C30H34Cu2N4O8+2 MolecularWeight: 705.70496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCNC=C2C=CC=C(C2=O)C(=O)O.C1=CC=NC(=C1)CCNC=C2C=CC=C(C2=O)C(=O)O.[OH3+].[OH3+].[Cu].[Cu]

Isomeric SMILES

C1=CC=NC(=C1)CCNC=C2C=CC=C(C2=O)C(=O)O.C1=CC=NC(=C1)CCNC=C2C=CC=C(C2=O)C(=O)O.[OH3+].[OH3+].[Cu].[Cu]

InChI

InChI=1S/2C15H14N2O3.2Cu.2H2O/c2*18-14-11(4-3-6-13(14)15(19)20)10-16-9-7-12-5-1-2-8-17-12;;;;/h2*1-6,8,10,16H,7,9H2,(H,19,20);;;2*1H2/p+2