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General information

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Reference substance information

IUPAC name:
5-((E)-(2,5-dimethyl-4-((E)-(4-sulfophenyl)diazenyl)phenyl)diazenyl)-2-((E)-4-((Z)-(3-hydroxy-4-((Z)-(2-hydroxy-5-sulfophenyl)diazenyl)phenyl)diazenyl)-2-sulfostyryl)benzenesulfonic acid, copper salt

Molecular and structural information

Molecular formula:
C40H32CuN8O14S4
Molecular weight:
ca. 1 038
SMILES notation:
O=S(=O)(O)c1ccc(cc1)/N=N/c2cc(C)c(cc2C)/N=N/c7ccc(/C=C/c3ccc(cc3S(=O)(=O)O)/N=N\c4ccc5N=Nc6cc(ccc6O[Cu]Oc5c4)S(=O)(=O)O)c(c7)S(=O)(=O)O
InChl:
InChI=1S/C40H32N8O14S4.Cu/c1-23-18-35(24(2)17-34(23)46-41-27-9-12-31(13-10-27)63(51,52)53)47-44-30-8-6-26(40(21-30)66(60,61)62)4-3-25-5-7-29(20-39(25)65(57,58)59)43-42-28-11-15-33(38(50)19-28)45-48-36-22-32(64(54,55)56)14-16-37(36)49;/h3-22,49-50H,1-2H3,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);/q;+2/p-2/b4-3+,43-42-,46-41+,47-44+,48-45-;
Structural formula:
Chemical structure