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Substance Name: Disodium 5-((4-(((4-((6-amino-1-hydroxy-3-sulphonato-5-(1H-1,2,4-triazole-3-ylazo)-2-naphthyl)azo)-2,5-diethoxyphenyl)amino)carbonyl)phenyl)azo)salicylate
RN: 83249-32-5
InChIKey: MUPWBMBCVSBSEN-VLTQNNAGSA-L

Molecular Formula

  • C36-H31-N11-O10-S.2Na

Molecular Weight

  • 853.738
 
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Names and Synonyms

Synonym

  • EINECS 280-300-8

Systematic Name

  • Disodium 5-((4-(((4-((6-amino-1-hydroxy-3-sulphonato-5-(1H-1,2,4-triazole-3-ylazo)-2-naphthyl)azo)-2,5-diethoxyphenyl)amino)carbonyl)phenyl)azo)salicylate

Registry Numbers

CAS Registry Number

  • 83249-32-5

System Generated Number

  • 0083249325

Molecular Formulas

Molecular Formula

  • C36-H31-N11-O10-S.2Na

Molecular Formula Fragments

  • C36-H31-N11-O10-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C36H31N11O10S.2Na/c1-3-56-28-16-26(43-45-32-30(58(53,54)55)14-22-21(33(32)49)10-11-24(37)31(22)44-47-36-38-17-39-46-36)29(57-4-2)15-25(28)40-34(50)18-5-7-19(8-6-18)41-42-20-9-12-27(48)23(13-20)35(51)52;;/h5-17,48-49H,3-4,37H2,1-2H3,(H,40,50)(H,51,52)(H,38,39,46)(H,53,54,55);;/q;2*+1/p-2/b42-41+,45-43+,47-44+;;

InChIKey

MUPWBMBCVSBSEN-VLTQNNAGSA-L

Smiles

[Na+].[Na+].C(c1c(O)ccc(c1)\N=N\c1ccc(cc1)C(=O)Nc1c(cc(c(c1)OCC)\N=N\c1c(c2ccc(c(c2cc1S(=O)(=O)[O-])\N=N\c1n[nH]cn1)N)O)OCC)(=O)[O-]