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Substance Name: Tetrasodium 4-amino-6-((2,5-dimethoxy-4-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)azo)-5-hydroxy-3-((4-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)azo)naphthalene-2,7-disulphonate
RN: 84229-70-9
InChIKey: ZDCKNDRNTSRWLA-VOBPSGPXSA-J

Molecular Formula

  • C28-H29-N5-O21-S6.4Na

Molecular Weight

  • 1051.8755
 
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Names and Synonyms

Synonyms

  • EC 282-468-8
  • EINECS 282-468-8

Systematic Names

  • 2,7-Naphthalenedisulfonic acid, 4-amino-6-((2,5-dimethoxy-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-5-hydroxy-3-((4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-, tetrasodium salt
  • Tetrasodium 4-amino-6-((2,5-dimethoxy-4-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)azo)-5-hydroxy-3-((4-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)azo)naphthalene-2,7-disulphonate

Registry Numbers

CAS Registry Number

  • 84229-70-9

System Generated Number

  • 0084229709

Molecular Formulas

Molecular Formula

  • C28-H29-N5-O21-S6.4Na

Molecular Formula Fragments

  • C28-H29-N5-O21-S6
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C28H29N5O21S6.4Na/c1-51-19-14-21(56(37,38)10-8-54-60(48,49)50)20(52-2)13-18(19)31-33-27-23(58(42,43)44)12-15-11-22(57(39,40)41)26(25(29)24(15)28(27)34)32-30-16-3-5-17(6-4-16)55(35,36)9-7-53-59(45,46)47;;;;/h3-6,11-14,31H,7-10,29H2,1-2H3,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50);;;;/q;4*+1/p-4/b32-30+,33-27-;;;;

InChIKey

ZDCKNDRNTSRWLA-VOBPSGPXSA-J

Smiles

[Na+].[Na+].[Na+].[Na+].COc1cc(c(OC)cc1N\N=C\2/C(=O)c3c(N)c(N=Nc4ccc(cc4)S(=O)(=O)CCOS(=O)(=O)[O-])c(cc3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)CCOS(=O)(=O)[O-]