copper 2-[butylamino-(5-methyl-2-oxidanyl-phenyl)methyl]-3,4-bis(oxidanylidene)naphthalen-1-olate

Systemtic Name: copper 2-[butylamino-(5-methyl-2-oxidanyl-phenyl)methyl]-3,4-bis(oxidanylidene)naphthalen-1-olate Openeye Name: copper 2-[butylamino-(2-hydroxy-5-methyl-phenyl)methyl]-3,4-dioxo-naphthalen-1-olate CAS Name: copper 2-[butylamino-(2-hydroxy-5-methylphenyl)methyl]-3,4-dioxo-1-naphthalenolate IUPAC Name: copper 2-[butylamino-(2-hydroxy-5-methylphenyl)methyl]-3,4-dioxonaphthalen-1-olate Traditional Name: cupric 2-[butylamino-(2-hydroxy-5-methyl-phenyl)methyl]-3,4-diketo-naphthalen-1-olate Formula: C44H44CuN2O8 MolecularWeight: 792.37476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(C1=C(C=CC(=C1)C)O)C2=C(C3=CC=CC=C3C(=O)C2=O)[O-].CCCCNC(C1=C(C=CC(=C1)C)O)C2=C(C3=CC=CC=C3C(=O)C2=O)[O-].[Cu+2]

Isomeric SMILES

CCCCNC(C1=C(C=CC(=C1)C)O)C2=C(C3=CC=CC=C3C(=O)C2=O)[O-].CCCCNC(C1=C(C=CC(=C1)C)O)C2=C(C3=CC=CC=C3C(=O)C2=O)[O-].[Cu+2]

InChI

InChI=1S/2C22H23NO4.Cu/c2*1-3-4-11-23-19(16-12-13(2)9-10-17(16)24)18-20(25)14-7-5-6-8-15(14)21(26)22(18)27;/h2*5-10,12,19,23-25H,3-4,11H2,1-2H3;/q;;+2/p-2