NSC17458

Molecular Formula: C36H40N4NiO4


InChI: InChI=1/C36H40N4O4.Ni/c1-9-23-19(3)27-15-28-21(5)25(11-13-35(41)43-7)33(39-28)18-34-26(12-14-36(42)44-8)22(6)30(40-34)17-32-24(10-2)20(4)29(38-32)16-31(23)37-27;/h15-18H,9-14H2,1-8H3;/q-2;+2/b27-15-,28-15-,29-16-,30-17-,31-16-,32-17-,33-18-,34-18-;

InChIKey: InChIKey=CJMFFQUNMOBZIS-YPFLCKFZBR
SMILES: CCC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)CC)C)CCC(=O)OC)C(=C3C)CCC(=O)OC)C.[Ni+2]

Names:
    NSC17458

Registries:
    PubChem CID 11399567
    PubChem ID 80764