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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)-, sodium salt, compd. with 2,2',2''-nitrilotris(ethanol) (1:?:?)
RN: 72245-50-2
InChIKey: UCUGBKKCFWWLEB-MBWRNMPASA-J

Molecular Formula

  • C35-H26-N6-O14-S3.x-C6-H15-N-O3.x-Na

Molecular Weight

  • 1087.9333
 
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Names and Synonyms

Synonym

  • p-((1-Hydroxy-6-(3-(5-hydroxy-7-sulfo-6-((4-sulfo-o-tolyl)azo)-2-naphthyl)ureido)-3-sulfo-2-naphthyl)azo)benzoic acid, sodium triethanolamine salts (1:x:x)

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)-, sodium salt, compd. with 2,2',2''-nitrilotris(ethanol)
  • 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)-, sodium salt, compd. with 2,2',2''-nitrilotris(ethanol) (1:?:?)

Registry Numbers

CAS Registry Number

  • 72245-50-2

System Generated Number

  • 0072245502

Molecular Formulas

Molecular Formula

  • C35-H26-N6-O14-S3.x-C6-H15-N-O3.x-Na

Molecular Formula Fragments

  • C35-H26-N6-O14-S3
  • C6-H15-N-O3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C35H26N6O14S3.C6H15NO3.4Na/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;8-4-1-7(2-5-9)3-6-10;;;;/h2-16,42-43H,1H3,(H,44,45)(H2,36,37,46)(H,47,48,49)(H,50,51,52)(H,53,54,55);8-10H,1-6H2;;;;/q;;4*+1/p-4/b40-38+,41-39+;;;;;

InChIKey

UCUGBKKCFWWLEB-MBWRNMPASA-J

Smiles

Cc1cc(ccc1/N=N/c2c(cc3cc(ccc3c2O)NC(=O)Nc4ccc5c(c4)cc(c(c5O)/N=N/c6ccc(cc6)C(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].C(CO)N(CCO)CCO.[Na+].[Na+].[Na+].[Na+]