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

Systemtic Name: copper 2-[(5-bromanyl-2-oxidanyl-phenyl)-(butylamino)methyl]-3,4-bis(oxidanylidene)naphthalen-1-olate Openeye Name: copper 2-[(5-bromo-2-hydroxy-phenyl)-(butylamino)methyl]-3,4-dioxo-naphthalen-1-olate CAS Name: copper 2-[(5-bromo-2-hydroxyphenyl)-(butylamino)methyl]-3,4-dioxo-1-naphthalenolate IUPAC Name: copper 2-[(5-bromo-2-hydroxyphenyl)-(butylamino)methyl]-3,4-dioxonaphthalen-1-olate Traditional Name: cupric 2-[(5-bromo-2-hydroxy-phenyl)-(butylamino)methyl]-3,4-diketo-naphthalen-1-olate Formula: C42H38Br2CuN2O8 MolecularWeight: 922.11372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C21H20BrNO4.Cu/c2*1-2-3-10-23-18(15-11-12(22)8-9-16(15)24)17-19(25)13-6-4-5-7-14(13)20(26)21(17)27;/h2*4-9,11,18,23-25H,2-3,10H2,1H3;/q;;+2/p-2