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Substance Name: Disodium m-(4,5-dihydro-4-((2-methoxy-5-methyl-4-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonate
RN: 84083-09-0
InChIKey: SMFFPJXMOAERFY-ZPZFBZIMSA-L

Molecular Formula

  • C20-H22-N4-O11-S3.2Na

Molecular Weight

  • 634.573
 
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Names and Synonyms

Synonym

  • EINECS 282-057-3

Systematic Name

  • Disodium m-(4,5-dihydro-4-((2-methoxy-5-methyl-4-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonate

Registry Numbers

CAS Registry Number

  • 84083-09-0

System Generated Number

  • 0084083090

Molecular Formulas

Molecular Formula

  • C20-H22-N4-O11-S3.2Na

Molecular Formula Fragments

  • C20-H22-N4-O11-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C20H22N4O11S3.2Na/c1-12-9-16(17(34-3)11-18(12)36(26,27)8-7-35-38(31,32)33)21-22-19-13(2)23-24(20(19)25)14-5-4-6-15(10-14)37(28,29)30;;/h4-6,9-11,19H,7-8H2,1-3H3,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2/b22-21+;;

InChIKey

SMFFPJXMOAERFY-ZPZFBZIMSA-L

Smiles

Cc1cc(c(cc1S(=O)(=O)CCOS(=O)(=O)[O-])OC)/N=N/C2C(=NN(C2=O)c3cccc(c3)S(=O)(=O)[O-])C.[Na+].[Na+]