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Substance Name: 1,7-Naphthalenedisulfonic acid, 4-((2-(3-((2-chloroacetyl)amino)phenoxy)acetyl)amino)-5-hydroxy-6-(2-(2-(4-pentylphenoxy)phenyl)diazenyl)-, sodium salt (1:2)
RN: 70210-04-7
InChIKey: RYKNEZQMDZEINB-NZWRDQTFSA-L

Molecular Formula

  • C37-H35-Cl-N4-O11-S2.2Na

Molecular Weight

  • 855.25
 
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Names and Synonyms

Synonyms

  • 1,7-Naphthalenedisulfonic acid, 4-(((3-((chloroacetyl)amino)phenoxy)acetyl)amino)-5-hydroxy-6-((2-(4-pentylphenoxy)phenyl)azo)-, disodium salt
  • EINECS 274-401-6

Systematic Names

  • 1,7-Naphthalenedisulfonic acid, 4-(((3-((chloroacetyl)amino)phenoxy)acetyl)amino)-5-hydroxy-6-((2-(4-pentylphenoxy)phenyl)azo)-, disodium salt
  • 1,7-Naphthalenedisulfonic acid, 4-((2-(3-((2-chloroacetyl)amino)phenoxy)acetyl)amino)-5-hydroxy-6-(2-(2-(4-pentylphenoxy)phenyl)diazenyl)-, sodium salt (1:2)
  • Disodium 4-(((3-((chloroacetyl)amino)phenoxy)acetyl)amino)-5-hydroxy-6-((2-(4-pentylphenoxy)phenyl)azo)naphthalene-1,7-disulphonate

Registry Numbers

CAS Registry Number

  • 70210-04-7

System Generated Number

  • 0070210047

Molecular Formulas

Molecular Formula

  • C37-H35-Cl-N4-O11-S2.2Na

Molecular Formula Fragments

  • C37-H35-Cl-N4-O11-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C37H35ClN4O11S2.2Na/c1-2-3-4-8-23-13-15-25(16-14-23)53-30-12-6-5-11-28(30)41-42-36-32(55(49,50)51)20-27-31(54(46,47)48)18-17-29(35(27)37(36)45)40-34(44)22-52-26-10-7-9-24(19-26)39-33(43)21-38;;/h5-7,9-20,45H,2-4,8,21-22H2,1H3,(H,39,43)(H,40,44)(H,46,47,48)(H,49,50,51);;/q;2*+1/p-2/b42-41+;;

InChIKey

RYKNEZQMDZEINB-NZWRDQTFSA-L

Smiles

[Na+].[Na+].c1(ccc(c2c(c(c(cc12)S(=O)(=O)[O-])\N=N\c1c(cccc1)Oc1ccc(cc1)CCCCC)O)NC(=O)COc1cc(ccc1)NC(=O)CCl)S(=O)(=O)[O-]