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Substance Name: 4-(Benzoylamino)-5-hydroxy-6-((1-sulpho-6-((2-(sulphooxy)ethyl)sulphonyl)-2-naphthyl)azo)naphthalene-1,7-disulphonic acid, potassiumsodium salt
RN: 94158-88-0
InChIKey: ITEMHRZVPJZFOZ-JKDBTGEISA-J

Molecular Formula

  • C29-H23-N3-O17-S5.x-K.x-Na

Molecular Weight

  • 965.9791
 
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Names and Synonyms

Synonym

  • EINECS 303-162-3

Systematic Name

  • 4-(Benzoylamino)-5-hydroxy-6-((1-sulpho-6-((2-(sulphooxy)ethyl)sulphonyl)-2-naphthyl)azo)naphthalene-1,7-disulphonic acid, potassiumsodium salt

Registry Numbers

CAS Registry Number

  • 94158-88-0

System Generated Number

  • 0094158880

Molecular Formulas

Molecular Formula

  • C29-H23-N3-O17-S5.x-K.x-Na

Molecular Formula Fragments

  • C29-H23-N3-O17-S5
  • COMPONENT
  • K
  • Na

Structure Descriptors

InChI

1S/C29H23N3O17S5.2K.2Na/c33-27-25-20(23(51(37,38)39)11-10-21(25)30-29(34)16-4-2-1-3-5-16)15-24(52(40,41)42)26(27)32-31-22-9-6-17-14-18(7-8-19(17)28(22)53(43,44)45)50(35,36)13-12-49-54(46,47)48;;;;/h1-11,14-15,33H,12-13H2,(H,30,34)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48);;;;/q;4*+1/p-4/b32-31+;;;;

InChIKey

ITEMHRZVPJZFOZ-JKDBTGEISA-J

Smiles

c1(S(=O)(=O)[O-])c(c(c2c(c(S(=O)(=O)[O-])ccc2NC(=O)c2ccccc2)c1)O)/N=N/c1c(S(=O)(=O)[O-])c2c(cc(S(=O)(=O)CCOS(=O)(=O)[O-])cc2)cc1.[Na+].[Na+].[K+].[K+]