tetracopper 2,4-ditert-butyl-6-(2-oxidanidylethyliminomethyl)phenolate

Systemtic Name: tetracopper 2,4-ditert-butyl-6-(2-oxidanidylethyliminomethyl)phenolate Openeye Name: tetracopper 2,4-ditert-butyl-6-(2-oxidoethyliminomethyl)phenolate CAS Name: tetracopper 2,4-ditert-butyl-6-(2-oxidoethyliminomethyl)phenolate IUPAC Name: tetracopper 2,4-ditert-butyl-6-(2-oxidoethyliminomethyl)phenolate Traditional Name: tetracupric 2,4-ditert-butyl-6-(2-oxidoethyliminomethyl)phenolate Formula: C68H100Cu4N4O8 MolecularWeight: 1355.7276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)C=NCC[O-])[O-])C(C)(C)C.CC(C)(C)C1=CC(=C(C(=C1)C=NCC[O-])[O-])C(C)(C)C.CC(C)(C)C1=CC(=C(C(=C1)C=NCC[O-])[O-])C(C)(C)C.CC(C)(C)C1=CC(=C(C(=C1)C=NCC[O-])[O-])C(C)(C)C.[Cu+2].[Cu+2].[Cu+2].[Cu+2]

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)C=NCC[O-])[O-])C(C)(C)C.CC(C)(C)C1=CC(=C(C(=C1)C=NCC[O-])[O-])C(C)(C)C.CC(C)(C)C1=CC(=C(C(=C1)C=NCC[O-])[O-])C(C)(C)C.CC(C)(C)C1=CC(=C(C(=C1)C=NCC[O-])[O-])C(C)(C)C.[Cu+2].[Cu+2].[Cu+2].[Cu+2]

InChI

InChI=1S/4C17H26NO2.4Cu/c4*1-16(2,3)13-9-12(11-18-7-8-19)15(20)14(10-13)17(4,5)6;;;;/h4*9-11,20H,7-8H2,1-6H3;;;;/q4*-1;4*+2/p-4