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Substance Name: 2,7-Naphthalenedisulfonic acid, 3-(2-(4-(acetylamino)phenyl)diazenyl)-5-amino-6-(2-(4-((4-(2-(2,4-diaminophenyl)diazenyl)phenyl)amino)-3-sulfophenyl)diazenyl)-4-hydroxy-, sodium salt (1:3)
RN: 72894-19-0
InChIKey: AVIVYXJTQVGSIL-FLALFRFLSA-K

Molecular Formula

  • C36-H31-N11-O11-S3.3Na

Molecular Weight

  • 955.8512
 
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Names and Synonyms

  • 2,7-Naphthalenedisulfonic acid, 3-((4-(acetylamino)phenyl)azo)-5-amino-6-((4-((4-((2,4-diaminophenyl)azo)phenyl)amino)-3-sulfophenyl)azo)-4-hydroxy-, trisodium salt
  • 2,7-Naphthalenedisulfonic acid, 3-(2-(4-(acetylamino)phenyl)diazenyl)-5-amino-6-(2-(4-((4-(2-(2,4-diaminophenyl)diazenyl)phenyl)amino)-3-sulfophenyl)diazenyl)-4-hydroxy-, sodium salt (1:3)

Registry Numbers

CAS Registry Number

  • 72894-19-0

System Generated Number

  • 0072894190

Molecular Formulas

Molecular Formula

  • C36-H31-N11-O11-S3.3Na

Molecular Formula Fragments

  • C36-H31-N11-O11-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C36H31N11O11S3.3Na/c1-18(48)40-21-3-7-24(8-4-21)43-47-35-31(61(56,57)58)15-19-14-30(60(53,54)55)34(33(39)32(19)36(35)49)46-44-25-11-13-28(29(17-25)59(50,51)52)41-22-5-9-23(10-6-22)42-45-27-12-2-20(37)16-26(27)38;;;/h2-17,41,49H,37-39H2,1H3,(H,40,48)(H,50,51,52)(H,53,54,55)(H,56,57,58);;;/q;3*+1/p-3/b45-42+,46-44+,47-43+;;;

InChIKey

AVIVYXJTQVGSIL-FLALFRFLSA-K

Smiles

CC(=O)Nc1ccc(cc1)/N=N/c2c(cc3cc(c(c(c3c2O)N)/N=N/c4ccc(c(c4)S(=O)(=O)[O-])Nc5ccc(cc5)/N=N/c6ccc(cc6N)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]