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Substance Name: 1,3,6-Naphthalenetrisulfonic acid, 7-(2-(6-((4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-, ammonium sodium salt (1:1:3)
RN: 75559-05-6
InChIKey: LBOZPVGWLZDDAI-RTBGNPICSA-K

Molecular Formula

  • C30-H22-Cl-N7-O13-S4.H3-N.3Na

Molecular Weight

  • 935.234
 
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Names and Synonyms

Synonym

  • EINECS 278-258-0

Systematic Names

  • 1,3,6-Naphthalenetrisulfonic acid, 7-((6-((4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-, monoammonium trisodium salt
  • 1,3,6-Naphthalenetrisulfonic acid, 7-(2-(6-((4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-, ammonium sodium salt (1:1:3)
  • Ammonium trisodium 7-((6-((4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulphonato-2-naphthyl)azo)naphthalene-1,3,6-trisulphonate

Registry Numbers

CAS Registry Number

  • 75559-05-6

System Generated Number

  • 0075559056

Molecular Formulas

Molecular Formula

  • C30-H22-Cl-N7-O13-S4.H3-N.3Na

Molecular Formula Fragments

  • C30-H22-Cl-N7-O13-S4
  • COMPONENT
  • H3-N
  • Na

Structure Descriptors

InChI

1S/C30H22ClN7O13S4.H3N.3Na/c1-38(18-5-3-2-4-6-18)30-34-28(31)33-29(35-30)32-17-7-8-20-15(9-17)12-25(55(49,50)51)26(27(20)39)37-36-22-14-21-16(11-24(22)54(46,47)48)10-19(52(40,41)42)13-23(21)53(43,44)45;;;;/h2-14,39H,1H3,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,32,33,34,35);1H3;;;/q;;3*+1/p-3/b37-36+;;;;

InChIKey

LBOZPVGWLZDDAI-RTBGNPICSA-K

Smiles

[NH4+].[Na+].[Na+].[Na+].c1(cc(cc2cc(c(cc12)\N=N\c1c(c2ccc(cc2cc1S(=O)(=O)[O-])Nc1nc(nc(n1)Cl)N(c1ccccc1)C)O)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]