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Substance Name: Benzoic acid, 4-(2-(1-hydroxy-6-((((5-hydroxy-6-(2-(2-methyl-4-sulfophenyl)diazenyl)-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-sulfo-2-naphthalenyl)diazenyl)-, compd. with 2,2'-iminobis(ethanol) (1:4)
RN: 72906-32-2
InChIKey: HEABHVOKOJQEKZ-RRJGSHPESA-N

Molecular Formula

  • C35-H26-N6-O14-S3.4C4-H11-N-O2

Molecular Weight

  • 1271.36
 
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Names and Synonyms

Synonyms

  • 4-(1-Hydroxy-6-((5-hydroxy-6-(2-methyl-4-sulfophenylazo)-7-sulfo-2-naphthalenyl)aminocarbonylamino)-3-sulfo-2-naphthalenylazo)benzoic acid, diethanolamine salt (1:4)
  • EINECS 276-996-8

Systematic Names

  • Benzoic acid, 4-((1-hydroxy-6-((((5-hydroxy-6-((2-methyl-4-sulfophenyl)azo)-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-sulfo-2-naphthalenyl)azo)-, compd. with 2,2'-iminobis(ethanol) (1:4)
  • Benzoic acid, 4-(2-(1-hydroxy-6-((((5-hydroxy-6-(2-(2-methyl-4-sulfophenyl)diazenyl)-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-sulfo-2-naphthalenyl)diazenyl)-, compd. with 2,2'-iminobis(ethanol) (1:4)
  • p-((1-Hydroxy-6-((((5-hydroxy-7-sulpho-6-((4-sulpho-o-tolyl)azo)-2-naphthyl)amino)carbonyl)amino)-3-sulpho-2-naphthyl)azo)benzoic acid, compound with 2,2'-iminodiethanol (1:4)

Registry Numbers

CAS Registry Number

  • 72906-32-2

System Generated Number

  • 0072906322

Molecular Formulas

Molecular Formula

  • C35-H26-N6-O14-S3.4C4-H11-N-O2

Molecular Formula Fragments

  • C35-H26-N6-O14-S3
  • C4-H11-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C35H26N6O14S3.4C4H11NO2/c1-17-12-24(56(47,48)49)8-11-27(17)39-41-31-29(58(53,54)55)16-20-14-23(7-10-26(20)33(31)43)37-35(46)36-22-6-9-25-19(13-22)15-28(57(50,51)52)30(32(25)42)40-38-21-4-2-18(3-5-21)34(44)45;4*6-3-1-5-2-4-7/h2-16,42-43H,1H3,(H,44,45)(H2,36,37,46)(H,47,48,49)(H,50,51,52)(H,53,54,55);4*5-7H,1-4H2/b40-38+,41-39+;;;;

InChIKey

HEABHVOKOJQEKZ-RRJGSHPESA-N

Smiles

N(CCO)CCO.C(c1ccc(\N=N\c2c(O)c3ccc(NC(=O)Nc4cc5cc(c(c(c5cc4)O)\N=N\c4c(cc(cc4)S(=O)(=O)O)C)S(=O)(=O)O)cc3cc2S(=O)(=O)O)cc1)(=O)O.N(CCO)CCO.N(CCO)CCO.N(CCO)CCO