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Substance Name: 2-Naphthalenesulfonic acid, 4-hydroxy-7-((((5-hydroxy-6-((2-methoxy-4-sulfophenyl)azo)-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-((6-sulfo-2-naphthalenyl)azo)-, sodium salt, compd. with 2,2',2''-nitrilotris(ethanol)
RN: 94022-37-4
InChIKey: GKTLVRYFSMQDOJ-CDEJRQRBSA-J

Molecular Formula

  • C38-H28-N6-O16-S4.x-C6-H15-N-O3.x-Na

Molecular Weight

  • 1190.0461
 
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Names and Synonyms

Synonym

  • EINECS 301-533-4

Systematic Name

  • 2-Naphthalenesulfonic acid, 4-hydroxy-7-((((5-hydroxy-6-((2-methoxy-4-sulfophenyl)azo)-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-((6-sulfo-2-naphthalenyl)azo)-, sodium salt, compd. with 2,2',2''-nitrilotris(ethanol)

Registry Numbers

CAS Registry Number

  • 94022-37-4

System Generated Number

  • 0094022374

Molecular Formulas

Molecular Formula

  • C38-H28-N6-O16-S4.x-C6-H15-N-O3.x-Na

Molecular Formula Fragments

  • C38-H28-N6-O16-S4
  • C6-H15-N-O3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C38H28N6O16S4.C6H15NO3.4Na/c1-60-31-18-27(62(51,52)53)8-11-30(31)42-44-35-33(64(57,58)59)17-22-14-24(6-10-29(22)37(35)46)40-38(47)39-23-5-9-28-21(13-23)16-32(63(54,55)56)34(36(28)45)43-41-25-4-2-20-15-26(61(48,49)50)7-3-19(20)12-25;8-4-1-7(2-5-9)3-6-10;;;;/h2-18,45-46H,1H3,(H2,39,40,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59);8-10H,1-6H2;;;;/q;;4*+1/p-4/b43-41+,44-42+;;;;;

InChIKey

GKTLVRYFSMQDOJ-CDEJRQRBSA-J

Smiles

c1(S(=O)(=O)[O-])c(/N=N/c2cc3c(cc(S(=O)(=O)[O-])cc3)cc2)c(c2c(c1)cc(NC(=O)Nc1cc3cc(S(=O)(=O)[O-])c(/N=N/c4c(cc(S(=O)(=O)[O-])cc4)OC)c(c3cc1)O)cc2)O.N(CCO)(CCO)CCO.[Na+].[Na+].[Na+].[Na+]