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Reference substances

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General information

Inventory

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Reference substance information

IUPAC name:
5,5'-((1E,1'E)-(2,6-dihydroxy-3-((E)-(4-nitrophenyl)diazenyl)-5-((E)-(4-sulfonaphthalen-1-yl)diazenyl)-1,4-phenylene)bis(diazene-2,1-diyl))bis(4-hydroxynaphthalene-2,7-disulfonic acid)

Molecular and structural information

Molecular formula:
C42H27N9O21S5
Molecular weight:
1 154.036
SMILES notation:
O=S(=O)(O)c8ccc(/N=N/c6c(O)c(/N=N/c2cc(cc1cc(cc(O)c12)S(=O)(=O)O)S(=O)(=O)O)c(O)c(/N=N/c3ccc(cc3)[N+]([O-])=O)c6/N=N/c5cc(cc4cc(cc(O)c45)S(=O)(=O)O)S(=O)(=O)O)c7ccccc78
InChl:
InChI=1S/C42H27N9O21S5/c52-32-17-25(75(64,65)66)13-19-11-23(73(58,59)60)15-30(35(19)32)45-47-37-38(48-43-21-5-7-22(8-6-21)51(56)57)41(54)40(42(55)39(37)49-44-29-9-10-34(77(70,71)72)28-4-2-1-3-27(28)29)50-46-31-16-24(74(61,62)63)12-20-14-26(76(67,68)69)18-33(53)36(20)31/h1-18,52-55H,(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)/b47-45+,48-43+,49-44+,50-46+
Structural formula:
Chemical structure