Benzenesulfonic acid, 4-[4,5-dihydro-4-[[4-[[3-[[4,5-dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazol-4-yl]azo]-2-hydroxyphenyl]methyl]phenyl]azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]-3-methyl-, copper complex

CAS Name

Cuprate(2-), [4-[4,5-dihydro-4-[2-[4-[[3-[2-[4,5-dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-(oxo-κO)-1H-pyrazol-4-yl]diazenyl-κN¹]-2-hydroxyphenyl]methyl]phenyl]diazenyl]-3-methyl-5-oxo-1H-pyrazol-1-yl]-3-methylbenzenesulfonato(4-)]-, sodium (1:2)

Molecular Formula

C₃₅H₂₈CuN₈O₉S₂.2Na

Molecular Mass

878.30

Other Names and Identifiers

InChI

InChI=1S/C35H31N8O9S2.Cu.2Na/c1-19-16-26(53(47,48)49)12-14-29(19)42-34(45)31(21(3)40-42)38-36-25-10-8-23(9-11-25)18-24-6-5-7-28(33(24)44)37-39-32-22(4)41-43(35(32)46)30-15-13-27(17-20(30)2)54(50,51)52;;;/h5-17,31,44H,18H2,1-4H3,(H,47,48,49)(H,50,51,52);;;/q-1;+2;2*+1/p-3

InChIKey

InChIKey=XWGFWKDSLIHDMU-UHFFFAOYSA-K

Canonical SMILES

[Na+].O=C1N(N=C(C)C1N=NC2=CC=C(C=C2)CC3=CC=CC=4N=[N]5[C-]6C(=NN(C7=CC=C(C=C7C)S(=O)(=O)[O-])C6=O[Cu+2]5[O-]C43)C)C8=CC=C(C=C8C)S(=O)(=O)[O-]

Other Names for this Substance