copper; copper(1+); 6-[[2-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one; dihydrate

Systemtic Name: copper; copper(1+); 6-[[2-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one; dihydrate Openeye Name: dicuprous; copper; 6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylene]cyclohexa-2,4-dien-1-one; dihydrate CAS Name: copper; copper(1+); 6-[[2-[(6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]ethylamino]methylidene]-1-cyclohexa-2,4-dienone; dihydrate IUPAC Name: copper; copper(1+); 6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one; dihydrate Traditional Name: dicuprous; copper; 6-[[2-[(6-ketocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylene]cyclohexa-2,4-dien-1-one; dihydrate Formula: C32H36Cu3N4O6+2 MolecularWeight: 763.28944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CNCCNC=C2C=CC=CC2=O)C(=O)C=C1.C1=CC(=CNCCNC=C2C=CC=CC2=O)C(=O)C=C1.O.O.[Cu].[Cu+].[Cu+]

Isomeric SMILES

C1=CC(=CNCCNC=C2C=CC=CC2=O)C(=O)C=C1.C1=CC(=CNCCNC=C2C=CC=CC2=O)C(=O)C=C1.O.O.[Cu].[Cu+].[Cu+]

InChI

InChI=1S/2C16H16N2O2.3Cu.2H2O/c2*19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;;;;;/h2*1-8,11-12,17-18H,9-10H2;;;;2*1H2/q;;;2*+1;;