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Substance Name: 2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-(4-methoxy-2-sulfophenyl)diazenyl)-, sodium salt (1:3)
RN: 85631-77-2
InChIKey: ROOXOSRUUHTHSX-RCWDREBLSA-K

Molecular Formula

  • C27-H22-Cl-N7-O11-S3.3Na

Molecular Weight

  • 818.106
 
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Names and Synonyms

Synonym

  • EINECS 288-026-0

Systematic Names

  • 2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((4-methoxy-2-sulfophenyl)azo)-, trisodium salt
  • 2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-(4-methoxy-2-sulfophenyl)diazenyl)-, sodium salt (1:3)
  • Trisodium 5-((4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((4-methoxy-2-sulphonatophenyl)azo)naphthalene-2,7-disulphonate

Registry Numbers

CAS Registry Number

  • 85631-77-2

System Generated Number

  • 0085631772

Molecular Formulas

Molecular Formula

  • C27-H22-Cl-N7-O11-S3.3Na

Molecular Formula Fragments

  • C27-H22-Cl-N7-O11-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C27H22ClN7O11S3.3Na/c1-35(15-6-4-3-5-7-15)27-31-25(28)30-26(32-27)29-19-13-17(47(37,38)39)10-14-11-21(49(43,44)45)23(24(36)22(14)19)34-33-18-9-8-16(46-2)12-20(18)48(40,41)42;;;/h3-13,36H,1-2H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,29,30,31,32);;;/q;3*+1/p-3/b34-33+;;;

InChIKey

ROOXOSRUUHTHSX-RCWDREBLSA-K

Smiles

[Na+].[Na+].[Na+].c1c(c(c(c2c(cc(cc12)S(=O)(=O)[O-])Nc1nc(nc(n1)Cl)N(c1ccccc1)C)O)\N=N\c1c(cc(cc1)OC)S(=O)(=O)[O-])S(=O)(=O)[O-]