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Substance Name: Tetrasodium 2-((8-((4-aminobenzoyl)amino)-1-hydroxy-3,6-disulphonato-2-naphthyl)azo)naphthalene-1,5-disulphonate
RN: 85895-98-3
InChIKey: KRVFYULTUZOIEZ-LRWJMIFLSA-J

Molecular Formula

  • C27-H20-N4-O14-S4.4Na

Molecular Weight

  • 840.6614
 
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Names and Synonyms

Synonym

  • EINECS 288-774-8

Systematic Name

  • Tetrasodium 2-((8-((4-aminobenzoyl)amino)-1-hydroxy-3,6-disulphonato-2-naphthyl)azo)naphthalene-1,5-disulphonate

Registry Numbers

CAS Registry Number

  • 85895-98-3

System Generated Number

  • 0085895983

Molecular Formulas

Molecular Formula

  • C27-H20-N4-O14-S4.4Na

Molecular Formula Fragments

  • C27-H20-N4-O14-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C27H20N4O14S4.4Na/c28-15-6-4-13(5-7-15)27(33)29-20-12-16(46(34,35)36)10-14-11-22(48(40,41)42)24(25(32)23(14)20)31-30-19-9-8-17-18(26(19)49(43,44)45)2-1-3-21(17)47(37,38)39;;;;/h1-12,32H,28H2,(H,29,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45);;;;/q;4*+1/p-4/b31-30+;;;;

InChIKey

KRVFYULTUZOIEZ-LRWJMIFLSA-J

Smiles

c1cc2c(ccc(c2S(=O)(=O)[O-])/N=N/c3c(cc4cc(cc(c4c3O)NC(=O)c5ccc(cc5)N)S(=O)(=O)[O-])S(=O)(=O)[O-])c(c1)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]