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Substance Name: 1,3-Naphthalenedisulfonic acid, 4-amino-6-(2-(4'-(2-(1,8-dihydroxy-3,6-disulfo-2-naphthalenyl)diazenyl)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)diazenyl)-5-hydroxy-, sodium salt (1:4)
RN: 68084-23-1
InChIKey: JTHOTXPCUHZJCW-MHKSURCISA-J

Molecular Formula

  • C34-H27-N5-O17-S4.4Na

Molecular Weight

  • 993.798
 
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Names and Synonyms

Synonym

  • EINECS 268-434-5

Systematic Names

  • 1,3-Naphthalenedisulfonic acid, 4-amino-6-((4'-((1,8-dihydroxy-3,6-disulfo-2-naphthalenyl)azo)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)azo)-5-hydroxy-, tetrasodium salt
  • 1,3-Naphthalenedisulfonic acid, 4-amino-6-(2-(4'-(2-(1,8-dihydroxy-3,6-disulfo-2-naphthalenyl)diazenyl)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)diazenyl)-5-hydroxy-, sodium salt (1:4)
  • Tetrasodium 4-amino-6-((4'-((1,8-dihydroxy-3,6-disulphonato-2-naphthyl)azo)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)azo)-5-hydroxynaphthalene-1,3-disulphonate

Registry Numbers

CAS Registry Number

  • 68084-23-1

System Generated Number

  • 0068084231

Molecular Formulas

Molecular Formula

  • C34-H27-N5-O17-S4.4Na

Molecular Formula Fragments

  • C34-H27-N5-O17-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C34H27N5O17S4.4Na/c1-55-24-10-15(3-6-20(24)36-38-22-8-5-19-26(58(46,47)48)14-27(59(49,50)51)31(35)30(19)33(22)41)16-4-7-21(25(11-16)56-2)37-39-32-28(60(52,53)54)12-17-9-18(57(43,44)45)13-23(40)29(17)34(32)42;;;;/h3-14,40-42H,35H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4/b38-36-,39-37+;;;;

InChIKey

JTHOTXPCUHZJCW-MHKSURCISA-J

Smiles

S([O-])(=O)(=O)c1cc(c2ccc(\N=N/c3c(cc(c4cc(c(\N=N\c5c(c6c(cc5S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc6O)O)cc4)OC)cc3)OC)c(c2c1N)O)S([O-])(=O)=O.[Na+].[Na+].[Na+].[Na+]