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Substance Name: 4-Amino-5-hydroxy-6-((4-((4-((2-hydroxy-4-((o-tolyl)amino)phenyl)azo)phenyl)amino)-3-sulphophenyl)azo)-3-((4-nitrophenyl)azo)naphthalene-2,7-disulphonic acid, sodium salt
RN: 94200-88-1
InChIKey: IQMLFXWSIIYWIM-JBDTURPZSA-K

Molecular Formula

  • C41-H32-N10-O13-S3.x-Na

Molecular Weight

  • 1034.9051
 
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Names and Synonyms

Synonym

  • EINECS 303-568-0

Systematic Name

  • 4-Amino-5-hydroxy-6-((4-((4-((2-hydroxy-4-((o-tolyl)amino)phenyl)azo)phenyl)amino)-3-sulphophenyl)azo)-3-((4-nitrophenyl)azo)naphthalene-2,7-disulphonic acid, sodium salt

Registry Numbers

CAS Registry Number

  • 94200-88-1

System Generated Number

  • 0094200881

Molecular Formulas

Molecular Formula

  • C41-H32-N10-O13-S3.x-Na

Molecular Formula Fragments

  • C41-H32-N10-O13-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C41H32N10O13S3.3Na/c1-22-4-2-3-5-30(22)44-27-12-16-31(33(52)20-27)48-45-25-8-6-24(7-9-25)43-32-17-13-28(21-34(32)65(56,57)58)47-50-40-36(67(62,63)64)19-23-18-35(66(59,60)61)39(38(42)37(23)41(40)53)49-46-26-10-14-29(15-11-26)51(54)55;;;/h2-21,43-44,52-53H,42H2,1H3,(H,56,57,58)(H,59,60,61)(H,62,63,64);;;/q;3*+1/p-3/b48-45+,49-46+,50-47+;;;

InChIKey

IQMLFXWSIIYWIM-JBDTURPZSA-K

Smiles

c1(S(=O)(=O)[O-])c(c(c2c(c(c(S(=O)(=O)[O-])cc2c1)/N=N/c1cc(S(=O)(=O)[O-])c(Nc2ccc(/N=N/c3c(cc(Nc4c(C)cccc4)cc3)O)cc2)cc1)O)N)/N=N/c1ccc([N+](=O)[O-])cc1.[Na+].[Na+].[Na+]