PubChem6071777

Molecular Formula: C32H12N8Na4NiO12S4


InChI: InChI=1/C32H16N8O12S4.4Na.Ni/c41-53(42,43)13-1-5-17-21(9-13)29-35-25(17)33-26-18-6-2-14(54(44,45)46)10-22(18)31(36-26)40-32-24-12-16(56(50,51)52)4-8-20(24)28(38-32)34-27-19-7-3-15(55(47,48)49)11-23(19)30(37-27)39-29;;;;;/h1-12H,(H4-2,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52);;;;;/q-2;4*+1;+2/p-4/fC32H12N8O12S4.4Na.Ni/q-6;5m/b33-25-,33-26-,34-27-,34-28-,39-29-,39-30-,40-31-,40-32-;;;;;

InChIKey: InChIKey=VKPOBEJPKUOFTG-SVMOLIJLDD
SMILES: C1=CC2=C(C=C1S(=O)(=O)[O-])C3=NC4=NC(=NC5=C6C=CC(=CC6=C([N-]5)N=C7C8=C(C=CC(=C8)S(=O)(=O)[O-])C(=N7)N=C2[N-]3)S(=O)(=O)[O-])C9=C4C=C(C=C9)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Ni+2]

Names:
    PubChem6071777

Registries:
    PubChem CID 4137051
    PubChem ID 6071777