copper 6-bromanyl-3-quinolin-8-yloxycarbonyl-naphthalen-2-olate

Systemtic Name: copper 6-bromanyl-3-quinolin-8-yloxycarbonyl-naphthalen-2-olate Openeye Name: copper 6-bromo-3-(8-quinolyloxycarbonyl)naphthalen-2-olate CAS Name: copper 6-bromo-3-[oxo(8-quinolinyloxy)methyl]-2-naphthalenolate IUPAC Name: copper 6-bromo-3-quinolin-8-yloxycarbonylnaphthalen-2-olate Traditional Name: cupric 6-bromo-3-(8-quinolyloxycarbonyl)naphthalen-2-olate Formula: C40H22Br2CuN2O6 MolecularWeight: 849.96648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)OC(=O)C3=C(C=C4C=CC(=CC4=C3)Br)[O-])N=CC=C2.C1=CC2=C(C(=C1)OC(=O)C3=C(C=C4C=CC(=CC4=C3)Br)[O-])N=CC=C2.[Cu+2]

Isomeric SMILES

C1=CC2=C(C(=C1)OC(=O)C3=C(C=C4C=CC(=CC4=C3)Br)[O-])N=CC=C2.C1=CC2=C(C(=C1)OC(=O)C3=C(C=C4C=CC(=CC4=C3)Br)[O-])N=CC=C2.[Cu+2]

InChI

InChI=1S/2C20H12BrNO3.Cu/c2*21-15-7-6-13-11-17(23)16(10-14(13)9-15)20(24)25-18-5-1-3-12-4-2-8-22-19(12)18;/h2*1-11,23H;/q;;+2/p-2