3-(2-ethylhexoxycarbonyl)-2-methyl-8-(pyridin-2-yldiazenyl)quinolin-5-olate; nickel

Systemtic Name: 3-(2-ethylhexoxycarbonyl)-2-methyl-8-(pyridin-2-yldiazenyl)quinolin-5-olate; nickel Openeye Name: 3-(2-ethylhexoxycarbonyl)-2-methyl-8-(2-pyridylazo)quinolin-5-olate; nickel CAS Name: 3-[2-ethylhexoxy(oxo)methyl]-2-methyl-8-(2-pyridinylazo)-5-quinolinolate; nickel IUPAC Name: 3-(2-ethylhexoxycarbonyl)-2-methyl-8-(pyridin-2-yldiazenyl)quinolin-5-olate; nickel Traditional Name: 3-(2-ethylhexoxycarbonyl)-2-methyl-8-(2-pyridylazo)quinolin-5-olate; nickel Formula: C48H54N8NiO6-2 MolecularWeight: 897.68576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C1=CC2=C(C=CC(=C2N=C1C)N=NC3=CC=CC=N3)[O-].CCCCC(CC)COC(=O)C1=CC2=C(C=CC(=C2N=C1C)N=NC3=CC=CC=N3)[O-].[Ni]

Isomeric SMILES

CCCCC(CC)COC(=O)C1=CC2=C(C=CC(=C2N=C1C)N=NC3=CC=CC=N3)[O-].CCCCC(CC)COC(=O)C1=CC2=C(C=CC(=C2N=C1C)N=NC3=CC=CC=N3)[O-].[Ni]

InChI

InChI=1S/2C24H28N4O3.Ni/c2*1-4-6-9-17(5-2)15-31-24(30)18-14-19-21(29)12-11-20(23(19)26-16(18)3)27-28-22-10-7-8-13-25-22;/h2*7-8,10-14,17,29H,4-6,9,15H2,1-3H3;/p-2