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Substance Name: 4-(Benzoylamino)-6-((2-(ethylsulphonyl)-7-sulphobenzothiazol-6-yl)azo)-5-hydroxynaphthalene-1,7-disulphonic acid, potassium sodium salt
RN: 83400-13-9
InChIKey: MMECXAMCGWRMAZ-NFOZGECASA-N

Molecular Formula

  • C26-H20-N4-O13-S5.x-K.x-Na

Molecular Weight

  • 818.877
 
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Names and Synonyms

Synonym

  • EINECS 280-428-4

Systematic Name

  • 4-(Benzoylamino)-6-((2-(ethylsulphonyl)-7-sulphobenzothiazol-6-yl)azo)-5-hydroxynaphthalene-1,7-disulphonic acid, potassium sodium salt

Registry Numbers

CAS Registry Number

  • 83400-13-9

System Generated Number

  • 0083400139

Molecular Formulas

Molecular Formula

  • C26-H20-N4-O13-S5.x-K.x-Na

Molecular Formula Fragments

  • C26-H20-N4-O13-S5
  • COMPONENT
  • K
  • Na

Structure Descriptors

InChI

1S/C26H20N4O13S5.K.Na/c1-2-45(33,34)26-28-16-8-9-17(24(23(16)44-26)48(41,42)43)29-30-21-19(47(38,39)40)12-14-18(46(35,36)37)11-10-15(20(14)22(21)31)27-25(32)13-6-4-3-5-7-13;;/h3-12,31H,2H2,1H3,(H,27,32)(H,35,36,37)(H,38,39,40)(H,41,42,43);;/q;2*+1/b30-29+;;

InChIKey

MMECXAMCGWRMAZ-NFOZGECASA-N

Smiles

CCS(=O)(=O)c1nc2ccc(c(c2s1)S(=O)(=O)O)/N=N/c3c(cc4c(ccc(c4c3O)NC(=O)c5ccccc5)S(=O)(=O)O)S(=O)(=O)O.[Na+].[K+]