dicopper [3-tert-butyl-6-oxidanylidene-5-(phenylazanylmethylidene)cyclohexa-1,3-dien-1-yl]methyl-[6-[[3-tert-butyl-6-oxidanylidene-5-(phenylazanylmethylidene)cyclohexa-1,3-dien-1-yl]methyl-methyl-azaniumyl]hexyl]-methyl-azanium

Systemtic Name: dicopper [3-tert-butyl-6-oxidanylidene-5-(phenylazanylmethylidene)cyclohexa-1,3-dien-1-yl]methyl-[6-[[3-tert-butyl-6-oxidanylidene-5-(phenylazanylmethylidene)cyclohexa-1,3-dien-1-yl]methyl-methyl-azaniumyl]hexyl]-methyl-azanium Openeye Name: dicopper [5-(anilinomethylene)-3-tert-butyl-6-oxo-cyclohexa-1,3-dien-1-yl]methyl-[6-[[5-(anilinomethylene)-3-tert-butyl-6-oxo-cyclohexa-1,3-dien-1-yl]methyl-methyl-ammonio]hexyl]-methyl-ammonium CAS Name: dicopper [5-(anilinomethylidene)-3-tert-butyl-6-oxo-1-cyclohexa-1,3-dienyl]methyl-[6-[[5-(anilinomethylidene)-3-tert-butyl-6-oxo-1-cyclohexa-1,3-dienyl]methyl-methylammonio]hexyl]-methylammonium IUPAC Name: dicopper [5-(anilinomethylidene)-3-tert-butyl-6-oxocyclohexa-1,3-dien-1-yl]methyl-[6-[[5-(anilinomethylidene)-3-tert-butyl-6-oxocyclohexa-1,3-dien-1-yl]methyl-methylazaniumyl]hexyl]-methylazanium Traditional Name: dicupric [5-(anilinomethylene)-3-tert-butyl-6-keto-cyclohexa-1,3-dien-1-yl]methyl-[6-[[5-(anilinomethylene)-3-tert-butyl-6-keto-cyclohexa-1,3-dien-1-yl]methyl-methyl-ammonio]hexyl]-methyl-ammonium Formula: C88H120Cu2N8O4+8 MolecularWeight: 1481.0376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CNC2=CC=CC=C2)C(=O)C(=C1)C[NH+](C)CCCCCC[NH+](C)CC3=CC(=CC(=CNC4=CC=CC=C4)C3=O)C(C)(C)C.CC(C)(C)C1=CC(=CNC2=CC=CC=C2)C(=O)C(=C1)C[NH+](C)CCCCCC[NH+](C)CC3=CC(=CC(=CNC4=CC=CC=C4)C3=O)C(C)(C)C.[Cu+2].[Cu+2]

Isomeric SMILES

CC(C)(C)C1=CC(=CNC2=CC=CC=C2)C(=O)C(=C1)C[NH+](C)CCCCCC[NH+](C)CC3=CC(=CC(=CNC4=CC=CC=C4)C3=O)C(C)(C)C.CC(C)(C)C1=CC(=CNC2=CC=CC=C2)C(=O)C(=C1)C[NH+](C)CCCCCC[NH+](C)CC3=CC(=CC(=CNC4=CC=CC=C4)C3=O)C(C)(C)C.[Cu+2].[Cu+2]

InChI

InChI=1S/2C44H58N4O2.2Cu/c2*1-43(2,3)37-25-33(29-45-39-19-13-11-14-20-39)41(49)35(27-37)31-47(7)23-17-9-10-18-24-48(8)32-36-28-38(44(4,5)6)26-34(42(36)50)30-46-40-21-15-12-16-22-40;;/h2*11-16,19-22,25-30,45-46H,9-10,17-18,23-24,31-32H2,1-8H3;;/q;;2*+2/p+4