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Substance Name: 1,7-Naphthalenedisulfonic acid, 4-(acetylamino)-6-(2-(5-((2-bromo-1-oxo-2-propen-1-yl)amino)-2-sulfophenyl)diazenyl)-5-hydroxy-, sodium salt (1:3)
RN: 70224-86-1
InChIKey: DWWWWJFNJPTPOC-ZESDBUACSA-K

Molecular Formula

  • C21-H17-Br-N4-O12-S3.3Na

Molecular Weight

  • 759.43
 
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Names and Synonyms

Synonyms

  • 1,7-Naphthalenedisulfonic acid, 4-(acetylamino)-6-((5-((2-bromo-1-oxo-2-propenyl)amino)-2-sulfophenyl)azo)-5-hydroxy-, trisodium salt
  • EINECS 274-457-1

Systematic Names

  • 1,7-Naphthalenedisulfonic acid, 4-(acetylamino)-6-((5-((2-bromo-1-oxo-2-propenyl)amino)-2-sulfophenyl)azo)-5-hydroxy-, trisodium salt
  • 1,7-Naphthalenedisulfonic acid, 4-(acetylamino)-6-(2-(5-((2-bromo-1-oxo-2-propen-1-yl)amino)-2-sulfophenyl)diazenyl)-5-hydroxy-, sodium salt (1:3)
  • Trisodium 4-(acetylamino)-6-((5-((2-bromo-1-oxoallyl)amino)-2-sulphonatophenyl)azo)-5-hydroxynaphthalene-1,7-disulphonate

Registry Numbers

CAS Registry Number

  • 70224-86-1

System Generated Number

  • 0070224861

Molecular Formulas

Molecular Formula

  • C21-H17-Br-N4-O12-S3.3Na

Molecular Formula Fragments

  • C21-H17-Br-N4-O12-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C21H17BrN4O12S3.3Na/c1-9(22)21(29)24-11-3-5-16(40(33,34)35)14(7-11)25-26-19-17(41(36,37)38)8-12-15(39(30,31)32)6-4-13(23-10(2)27)18(12)20(19)28;;;/h3-8,28H,1H2,2H3,(H,23,27)(H,24,29)(H,30,31,32)(H,33,34,35)(H,36,37,38);;;/q;3*+1/p-3/b26-25+;;;

InChIKey

DWWWWJFNJPTPOC-ZESDBUACSA-K

Smiles

[Na+].[Na+].[Na+].c1(ccc(c2c(c(c(cc12)S(=O)(=O)[O-])\N=N\c1c(ccc(c1)NC(C(=C)Br)=O)S(=O)(=O)[O-])O)NC(=O)C)S(=O)(=O)[O-]