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

CAS Name

Chromate(1-), bis[3-[4,5-dihydro-4-[2-[2-(hydroxy-κO)-5-methyl-3-nitrophenyl]diazenyl-κN¹]-3-methyl-5-(oxo-κO)-1H-pyrazol-1-yl]benzenesulfonamidato(2-)]-, hydrogen, compd. with 2-ethyl-1-hexanamine (1:1:1)

Molecular Formula

C₃₄H₂₈CrN₁₂O₁₂S₂.C₈H₁₉N.H

Other Names and Identifiers

InChI

InChI=1S/2C17H15N6O6S.C8H19N.Cr/c2*1-9-6-13(16(24)14(7-9)23(26)27)19-20-15-10(2)21-22(17(15)25)11-4-3-5-12(8-11)30(18,28)29;1-3-5-6-8(4-2)7-9;/h2*3-8,24H,1-2H3,(H2,18,28,29);8H,3-7,9H2,1-2H3;/q2*-1;;+3/p-1

InChIKey

InChIKey=MPAFJXPICNWXAK-UHFFFAOYSA-M

SMILES

CC=1[C-]2[N]=3[Cr+3]45([N]([C-]6C(=O4)N(N=C6C)C7=CC(S(N)(=O)=O)=CC=C7)=NC=8C([O-]5)=C(N(=O)=O)C=C(C)C8)(O=C2N(N1)C9=CC(S(N)(=O)=O)=CC=C9)[O-]C=%10C(N3)=CC(C)=CC%10N(=O)=O.[H+].C(CCCC)(CC)CN

Canonical SMILES

[H+].O=N(=O)C1=CC(=CC=2N=[N]3[C-]4C(=NN(C5=CC=CC(=C5)S(=O)(=O)N)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)C)[O-]C21)C)C.NCC(CC)CCCC

Other Names for this Substance