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Reference substances

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IUPAC name:
(E)-7,7'-(6-(2-hydroxyethylamino)-1,3,5-triazine-2,4-diyl)bis(azanediyl)bis(4-hydroxy-3-((E)-(4-methoxy-2-sulfophenyl)diazenyl)naphthalene-2-sulfonic acid)

Inventory

Synonyms

Molecular and structural information

Molecular formula:
C39H34N10O17S4
Molecular weight:
ca. 1 042
SMILES notation:
O=S(=O)(O)c7cc(OC)ccc7/N=N/c2c(cc1cc(ccc1c2O)Nc3nc(nc(NCCO)n3)Nc5cc6cc(c(/N=N/c4ccc(OC)cc4S(=O)(=O)O)c(O)c6cc5)S(=O)(=O)O)S(=O)(=O)O
InChl:
InChI=1S/C39H34N10O17S4/c1-65-23-5-9-27(29(17-23)67(53,54)55)46-48-33-31(69(59,60)61)15-19-13-21(3-7-25(19)35(33)51)41-38-43-37(40-11-12-50)44-39(45-38)42-22-4-8-26-20(14-22)16-32(70(62,63)64)34(36(26)52)49-47-28-10-6-24(66-2)18-30(28)68(56,57)58/h3-10,13-18,50-52H,11-12H2,1-2H3,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H3,40,41,42,43,44,45)/b48-46+,49-47+
Structural formula:
Chemical structure

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