Ethanol, 2,2′-(dodecylimino)bis-, bis[2,4-dihydro-4-[[2-(hydroxy-κO)-5-nitrophenyl]azo-κN1]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-κO3]chromate(1-)

84215-40-7

CAS Name

Chromate(1-), bis[2,4-dihydro-4-[[2-(hydroxy-κO)-5-nitrophenyl]azo-κN¹]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-κO³]-, hydrogen, compd. with 2,2′-(dodecylimino)bis[ethanol] (1:1)

Molecular Formula

C₃₂H₂₂CrN₁₀O₈.C₁₆H₃₅NO₂.H

Other Names and Identifiers

InChI

InChI=1S/2C16H12N5O4.C16H35NO2.Cr/c2*1-10-15(16(23)20(19-10)11-5-3-2-4-6-11)18-17-13-9-12(21(24)25)7-8-14(13)22;1-2-3-4-5-6-7-8-9-10-11-12-17(13-15-18)14-16-19;/h2*2-9,22H,1H3;18-19H,2-16H2,1H3;/q2*-1;;+3/p-1

InChIKey

InChIKey=KZJQOSLCYVWNIH-UHFFFAOYSA-M

SMILES

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

Canonical SMILES

[H+].O=N(=O)C=1C=CC=2[O-][Cr+3]345(O=C6[C-](C(=NN6C=7C=CC=CC7)C)[N]3=NC2C1)O=C8[C-](C(=NN8C=9C=CC=CC9)C)[N]5=NC=%10C=C(C=CC%10[O-]4)N(=O)=O.OCCN(CCO)CCCCCCCCCCCC

Other Names for this Substance