PubChem6597894

Molecular Formula: C54H56N8O6Zr


InChI: InChI=1/C32H16N8.2C11H20O3.Zr/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;2*1-10(2,3)8(12)7-9(13)11(4,5)14-6;/h1-16H;2*7,12H,1-6H3;/q-2;;;+2

InChIKey: InChIKey=NUGMFSQTNCBORJ-UHFFFAOYAY
SMILES: CC(C)(C)C(=CC(=O)C(C)(C)OC)O.CC(C)(C)C(=CC(=O)C(C)(C)OC)O.C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C([N-]5)N=C7C8=CC=CC=C8C(=N7)N=C2[N-]3)C9=CC=CC=C94.[Zr+2]

Names:
    PubChem6597894

Registries:
    PubChem CID 4476890
    PubChem ID 6597894