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Substance Name: Chromate(1-), bis(3-(4-((5-(1,1-dimethylpropyl)-2-hydroxy-3-nitrophenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulfonamidato(2-))-, hydrogen, compd. with 2,2'-(dodecylimino)bis(ethanol) (1:1)
RN: 98690-34-7
InChIKey: FZQMVEVQMXLMKN-LGUIANCVSA-M

Molecular Formula

  • C42-H44-Cr-N12-O12-S2.C16-H35-N-O2.H

Molecular Weight

  • 1299.475
 
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Names and Synonyms

Synonym

  • EINECS 308-866-4

Systematic Name

  • Chromate(1-), bis(3-(4-((5-(1,1-dimethylpropyl)-2-hydroxy-3-nitrophenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulfonamidato(2-))-, hydrogen, compd. with 2,2'-(dodecylimino)bis(ethanol) (1:1)

Registry Numbers

CAS Registry Number

  • 98690-34-7

System Generated Number

  • 0098690347

Molecular Formulas

Molecular Formula

  • C42-H44-Cr-N12-O12-S2.C16-H35-N-O2.H

Molecular Formula Fragments

  • C16-H35-N-O2
  • C42-H44-Cr-N12-O12-S2
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/2C21H23N6O6S.C16H35NO2.Cr/c2*1-5-21(3,4)13-9-16(19(28)17(10-13)27(30)31)23-24-18-12(2)25-26(20(18)29)14-7-6-8-15(11-14)34(22,32)33;1-2-3-4-5-6-7-8-9-10-11-12-17(13-15-18)14-16-19;/h2*6-11,28H,5H2,1-4H3,(H2,22,32,33);18-19H,2-16H2,1H3;/q;;;+1/p-1/b2*24-23+;;

InChIKey

FZQMVEVQMXLMKN-LGUIANCVSA-M

Smiles

[H+].CCCCCCCCCCCCN(CCO)CCO.CCC(C)(C)c1cc2c(c(c1)[N+](=O)[O-])O[Cr-]3(C4(C(=NN(C4=O)c5cccc(c5)S(=O)(=O)N)C)N=N2)C6(C(=NN(C6=O)c7cccc(c7)S(=O)(=O)N)C)N=Nc8cc(cc(c8O3)[N+](=O)[O-])C(C)(C)CC