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Substance Name: 5-((4,5-Dihydro-3-methyl-5-oxo-1-(4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)-1H-pyrazol-4-yl)azo)-2,4-dimethoxybenzenesulphonic acid, sodium salt
RN: 85567-13-1
InChIKey: JWQRGQGNTNAGPH-ZPZFBZIMSA-L

Molecular Formula

  • C20-H22-N4-O12-S3.x-Na

Molecular Weight

  • 650.572
 
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Names and Synonyms

Synonym

  • EINECS 287-725-8

Systematic Name

  • 5-((4,5-Dihydro-3-methyl-5-oxo-1-(4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)-1H-pyrazol-4-yl)azo)-2,4-dimethoxybenzenesulphonic acid, sodium salt

Registry Numbers

CAS Registry Number

  • 85567-13-1

System Generated Number

  • 0085567131

Molecular Formulas

Molecular Formula

  • C20-H22-N4-O12-S3.x-Na

Molecular Formula Fragments

  • C20-H22-N4-O12-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C20H22N4O12S3.2Na/c1-12-19(22-21-15-10-18(38(28,29)30)17(35-3)11-16(15)34-2)20(25)24(23-12)13-4-6-14(7-5-13)37(26,27)9-8-36-39(31,32)33;;/h4-7,10-11,19H,8-9H2,1-3H3,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2/b22-21+;;

InChIKey

JWQRGQGNTNAGPH-ZPZFBZIMSA-L

Smiles

N1(C(=O)C(C(=N1)C)/N=N/c1cc(S(=O)(=O)[O-])c(cc1OC)OC)c1ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc1.[Na+].[Na+]