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Substance Name: 3-((4-((((2-Methoxy-4-((3-sulphophenyl)azo)phenyl)amino)carbonyl)amino)-o-tolyl)azo)naphthalene-1,5-disulphonic acid, sodium salt, compound with 2,2',2''-nitrilotriethanol
RN: 93964-48-8
InChIKey: GUUXRNAFHODNFP-BRUQAAHWSA-K

Molecular Formula

  • C31-H26-N6-O11-S3.x-C6-H15-N-O3.x-Na

Molecular Weight

  • 969.9102
 
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Names and Synonyms

Synonym

  • EINECS 300-894-5

Systematic Name

  • 3-((4-((((2-Methoxy-4-((3-sulphophenyl)azo)phenyl)amino)carbonyl)amino)-o-tolyl)azo)naphthalene-1,5-disulphonic acid, sodium salt, compound with 2,2',2''-nitrilotriethanol

Registry Numbers

CAS Registry Number

  • 93964-48-8

System Generated Number

  • 0093964488

Molecular Formulas

Molecular Formula

  • C31-H26-N6-O11-S3.x-C6-H15-N-O3.x-Na

Molecular Formula Fragments

  • C31-H26-N6-O11-S3
  • C6-H15-N-O3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C31H26N6O11S3.C6H15NO3.3Na/c1-18-13-19(9-11-26(18)37-36-22-15-25-24(30(17-22)51(45,46)47)7-4-8-29(25)50(42,43)44)32-31(38)33-27-12-10-21(16-28(27)48-2)35-34-20-5-3-6-23(14-20)49(39,40)41;8-4-1-7(2-5-9)3-6-10;;;/h3-17H,1-2H3,(H2,32,33,38)(H,39,40,41)(H,42,43,44)(H,45,46,47);8-10H,1-6H2;;;/q;;3*+1/p-3/b35-34+,37-36+;;;;

InChIKey

GUUXRNAFHODNFP-BRUQAAHWSA-K

Smiles

S(=O)(=O)(c1c2c(c(S(=O)(=O)[O-])ccc2)cc(/N=N/c2c(cc(NC(=O)Nc3c(cc(/N=N/c4cc(S(=O)(=O)[O-])ccc4)cc3)OC)cc2)C)c1)[O-].N(CCO)(CCO)CCO.[Na+].[Na+].[Na+]