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Substance Name: Trihydrogen bis(3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-2-hydroxy-5-nitrobenzene-1-sulphonato(3-))chromate(3-),compound with 2,2'-(dodecylimino)bis(ethanol) (1:3)
RN: 84195-87-9
InChIKey: SCQKWENTOSJAKS-DYFMGLLQSA-M

Molecular Formula

  • C32-H20-Cr-N10-O14-S2.3C16-H35-N-O2.3H

Molecular Weight

  • 1708.0902
 
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Names and Synonyms

Synonym

  • EINECS 282-394-6

Systematic Name

  • Trihydrogen bis(3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-2-hydroxy-5-nitrobenzene-1-sulphonato(3-))chromate(3-),compound with 2,2'-(dodecylimino)bis(ethanol) (1:3)

Registry Numbers

CAS Registry Number

  • 84195-87-9

System Generated Number

  • 0084195879

Molecular Formulas

Molecular Formula

  • C32-H20-Cr-N10-O14-S2.3C16-H35-N-O2.3H

Molecular Formula Fragments

  • C16-H35-N-O2
  • C32-H20-Cr-N10-O14-S2
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/2C16H12N5O7S.3C16H35NO2.Cr/c2*1-9-14(16(23)20(19-9)10-5-3-2-4-6-10)18-17-12-7-11(21(24)25)8-13(15(12)22)29(26,27)28;3*1-2-3-4-5-6-7-8-9-10-11-12-17(13-15-18)14-16-19;/h2*2-8,22H,1H3,(H,26,27,28);3*18-19H,2-16H2,1H3;/q;;;;;+1/p-1/b2*18-17+;;;;

InChIKey

SCQKWENTOSJAKS-DYFMGLLQSA-M

Smiles

CCCCCCCCCCCCN(CCO)CCO.CCCCCCCCCCCCN(CCO)CCO.CCCCCCCCCCCCN(CCO)CCO.CC1=NN(C(=O)C12N=Nc3cc(cc4c3O[Cr-3]256(Oc7c(cc(cc7S(=O)(=O)O5)[N+](=O)[O-])N=NC68C(=NN(C8=O)c9ccccc9)C)OS4(=O)=O)[N+](=O)[O-])c%10ccccc%10