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Substance Name: Benzenesulfonic acid, 2,5-bis((4-(2-(4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl)diazenyl)benzoyl)amino)-, potassium salt (1:3)
RN: 67875-09-6
InChIKey: OPLVQYDZWCACHA-PRJGFXSFSA-K

Molecular Formula

  • C40-H32-N10-O13-S3.3K

Molecular Weight

  • 1071.22
 
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Names and Synonyms

Synonyms

  • Benzenesulfonic acid, 2,5-bis(4-((3-methyl-5-oxo-1-(4-sulfophenyl)-4-pyrazolyl)azo)benzoylamino)-, tripotassium salt
  • EINECS 267-523-6

Systematic Names

  • Benzenesulfonic acid, 2,5-bis((4-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl)azo)benzoyl)amino)-, tripotassium salt
  • Benzenesulfonic acid, 2,5-bis((4-(2-(4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl)diazenyl)benzoyl)amino)-, potassium salt (1:3)
  • Tripotassium 2,5-bis(4-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl)azo)benzamido)benzenesulphonate

Registry Numbers

CAS Registry Number

  • 67875-09-6

System Generated Number

  • 0067875096

Molecular Formulas

Molecular Formula

  • C40-H32-N10-O13-S3.3K

Molecular Formula Fragments

  • C40-H32-N10-O13-S3
  • COMPONENT
  • K

Structure Descriptors

InChI

1S/C40H32N10O13S3.3K/c1-22-35(39(53)49(47-22)29-12-16-31(17-13-29)64(55,56)57)45-43-26-7-3-24(4-8-26)37(51)41-28-11-20-33(34(21-28)66(61,62)63)42-38(52)25-5-9-27(10-6-25)44-46-36-23(2)48-50(40(36)54)30-14-18-32(19-15-30)65(58,59)60;;;/h3-21,35-36H,1-2H3,(H,41,51)(H,42,52)(H,55,56,57)(H,58,59,60)(H,61,62,63);;;/q;3*+1/p-3/b45-43+,46-44+;;;

InChIKey

OPLVQYDZWCACHA-PRJGFXSFSA-K

Smiles

[K+].[K+].[K+].c1(c(ccc(c1)NC(c1ccc(cc1)\N=N\[C@@H]1C(=NN(C1=O)c1ccc(cc1)S(=O)(=O)[O-])C)=O)NC(c1ccc(cc1)\N=N\[C@@H]1C(=NN(C1=O)c1ccc(cc1)S(=O)(=O)[O-])C)=O)S(=O)(=O)[O-]