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

Systemtic Name: copper 2-[butylamino(phenyl)methyl]-3,4-bis(oxidanylidene)naphthalen-1-olate Openeye Name: copper 2-[butylamino(phenyl)methyl]-3,4-dioxo-naphthalen-1-olate CAS Name: copper 2-[butylamino(phenyl)methyl]-3,4-dioxo-1-naphthalenolate IUPAC Name: copper 2-[butylamino(phenyl)methyl]-3,4-dioxonaphthalen-1-olate Traditional Name: cupric 2-[butylamino(phenyl)methyl]-3,4-diketo-naphthalen-1-olate Formula: C42H40CuN2O6 MolecularWeight: 732.3228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C21H21NO3.Cu/c2*1-2-3-13-22-18(14-9-5-4-6-10-14)17-19(23)15-11-7-8-12-16(15)20(24)21(17)25;/h2*4-12,18,22-23H,2-3,13H2,1H3;/q;;+2/p-2