Benzenesulfonamide, 3-[4-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-nitrophenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, chromium complex

CAS Name

Chromate(1-), [2,4-dihydro-4-[2-[2-(hydroxy-κO)-5-methyl-3-nitrophenyl]diazenyl-κN¹]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-κO³][3-[4-[2-[5-(2,2-dimethylpropyl)-2-(hydroxy-κO)-3-nitrophenyl]diazenyl-κN¹]-4,5-dihydro-3-methyl-5-(oxo-κO)-1H-pyrazol-1-yl]benzenesulfonamidato(2-)]-, hydrogen (1:1)

Molecular Formula

C₃₈H₃₅CrN₁₁O₁₀S.H

Molecular Mass

890.82

Other Names and Identifiers

InChI

InChI=1S/C21H23N6O6S.C17H14N5O4.Cr/c1-12-18(20(29)26(25-12)14-6-5-7-15(10-14)34(22,32)33)24-23-16-8-13(11-21(2,3)4)9-17(19(16)28)27(30)31;1-10-8-13(16(23)14(9-10)22(25)26)18-19-15-11(2)20-21(17(15)24)12-6-4-3-5-7-12;/h5-10,28H,11H2,1-4H3,(H2,22,32,33);3-9,23H,1-2H3;/q2*-1;+3/p-1

InChIKey

InChIKey=UCIWBDSVBUGACT-UHFFFAOYSA-M

Canonical SMILES

[H+].O=N(=O)C1=CC(=CC=2N=[N]3[C-]4C(=NN(C=5C=CC=CC5)C4=O[Cr+3]673(O=C8[C-](C(=NN8C9=CC=CC(=C9)S(=O)(=O)N)C)[N]7=NC=%10C=C(C=C(C%10[O-]6)N(=O)=O)CC(C)(C)C)[O-]C21)C)C

Other Names for this Substance