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Substance Name: Tetrasodium 4-hydroxy-5-((4-((((5-hydroxy-6-((2-methoxy-5-sulphonatophenyl)azo)-7-sulphonato-2-naphthyl)amino)carbonyl)amino)-5-methoxy-o-tolyl)azo)naphthalene-2,7-disulphonate
RN: 94135-85-0
InChIKey: AKXPFNSOBXKUND-PTBAIPEQSA-J

Molecular Formula

  • C36-H30-N6-O17-S4.4Na

Molecular Weight

  • 1034.8504
 
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Names and Synonyms

Synonym

  • EINECS 302-956-7

Systematic Name

  • Tetrasodium 4-hydroxy-5-((4-((((5-hydroxy-6-((2-methoxy-5-sulphonatophenyl)azo)-7-sulphonato-2-naphthyl)amino)carbonyl)amino)-5-methoxy-o-tolyl)azo)naphthalene-2,7-disulphonate

Registry Numbers

CAS Registry Number

  • 94135-85-0

System Generated Number

  • 0094135850

Molecular Formulas

Molecular Formula

  • C36-H30-N6-O17-S4.4Na

Molecular Formula Fragments

  • C36-H30-N6-O17-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C36H30N6O17S4.4Na/c1-17-8-26(31(59-3)16-25(17)39-41-28-14-22(61(49,50)51)10-19-11-23(62(52,53)54)15-29(43)33(19)28)38-36(45)37-20-4-6-24-18(9-20)12-32(63(55,56)57)34(35(24)44)42-40-27-13-21(60(46,47)48)5-7-30(27)58-2;;;;/h4-16,43-44H,1-3H3,(H2,37,38,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57);;;;/q;4*+1/p-4/b41-39+,42-40+;;;;

InChIKey

AKXPFNSOBXKUND-PTBAIPEQSA-J

Smiles

[Na+].[Na+].[Na+].[Na+].c1c(cc(c2c(cc(cc12)S(=O)(=O)[O-])\N=N\c1c(cc(c(c1)OC)NC(=O)Nc1cc2cc(c(c(c2cc1)O)\N=N\c1c(ccc(c1)S(=O)(=O)[O-])OC)S(=O)(=O)[O-])C)O)S(=O)(=O)[O-]