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Substance Name: Disodium 4-amino-3-((4'-((2-amino-4-hydroxyphenyl)azo)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)azo)-5-hydroxy-6-((4-methoxyphenyl)azo)naphthalene-2,7-disulphonate
RN: 94159-53-2
InChIKey: ZUHXKNDYAQOEOH-LVVAYCKLSA-L

Molecular Formula

  • C37-H32-N8-O9-S2.2Na

Molecular Weight

  • 840.803
 
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Names and Synonyms

Synonym

  • EINECS 303-233-9

Systematic Name

  • Disodium 4-amino-3-((4'-((2-amino-4-hydroxyphenyl)azo)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)azo)-5-hydroxy-6-((4-methoxyphenyl)azo)naphthalene-2,7-disulphonate

Registry Numbers

CAS Registry Number

  • 94159-53-2

System Generated Number

  • 0094159532

Molecular Formulas

Molecular Formula

  • C37-H32-N8-O9-S2.2Na

Molecular Formula Fragments

  • C37-H32-N8-O9-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C37H32N8O9S2.2Na/c1-19-14-21(4-11-28(19)41-43-30-13-8-25(46)18-27(30)38)22-5-12-29(20(2)15-22)42-44-35-31(55(48,49)50)16-23-17-32(56(51,52)53)36(37(47)33(23)34(35)39)45-40-24-6-9-26(54-3)10-7-24;;/h4-18,46-47H,38-39H2,1-3H3,(H,48,49,50)(H,51,52,53);;/q;2*+1/p-2/b43-41+,44-42+,45-40+;;

InChIKey

ZUHXKNDYAQOEOH-LVVAYCKLSA-L

Smiles

c1(S(=O)(=O)[O-])c(c(c2c(c(c(S(=O)(=O)[O-])cc2c1)/N=N/c1ccc(cc1)OC)O)N)/N=N/c1c(cc(c2cc(c(/N=N/c3c(cc(cc3)O)N)cc2)C)cc1)C.[Na+].[Na+]