Photonic and Optical Materials

Cas#: 27835-99-0        Compound CID:  22836350

Formula:  C₃₂H₁₂N₈Na₄NiO₁₂S₄        Molecular Weight: 979.40

IUPAC Name: tetrasodium;2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene-6,15,24,34-tetrasulfonate;nickel(2+)

SMILES: [Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc2c3nc(nc4n5[Ni]n6c(nc7nc(nc5c8cc(ccc48)S([O-])(=O)=O)c9cc(ccc79)S([O-])(=O)=O)c%10ccc(cc%10c6n3)S([O-])(=O)=O)c2c1

InChIKey: UAMQBHBCNOEWGQ-UHFFFAOYSA-J

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