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Substance Name: Disodium 5-(benzoylamino)-3-((2,5-dimethylphenyl)azo)-4-hydroxynaphthalene-2,7-disulphonate
RN: 81064-48-4
InChIKey: ITNKOHPAPJRWHQ-JZYARHMISA-L

Molecular Formula

  • C25-H21-N3-O8-S2.2Na

Molecular Weight

  • 599.5501
 
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Names and Synonyms

Synonym

  • EINECS 279-682-9

Systematic Name

  • Disodium 5-(benzoylamino)-3-((2,5-dimethylphenyl)azo)-4-hydroxynaphthalene-2,7-disulphonate

Registry Numbers

CAS Registry Number

  • 81064-48-4

System Generated Number

  • 0081064484

Molecular Formulas

Molecular Formula

  • C25-H21-N3-O8-S2.2Na

Molecular Formula Fragments

  • C25-H21-N3-O8-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C25H21N3O8S2.2Na/c1-14-8-9-15(2)19(10-14)27-28-23-21(38(34,35)36)12-17-11-18(37(31,32)33)13-20(22(17)24(23)29)26-25(30)16-6-4-3-5-7-16;;/h3-13,29H,1-2H3,(H,26,30)(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2/b28-27+;;

InChIKey

ITNKOHPAPJRWHQ-JZYARHMISA-L

Smiles

Cc1ccc(c(c1)/N=N/c2c(cc3cc(cc(c3c2O)NC(=O)c4ccccc4)S(=O)(=O)[O-])S(=O)(=O)[O-])C.[Na+].[Na+]