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Substance Name: Direct Brown 25
RN: 33363-87-0
UNII: 77QS9AIW2V
InChIKey: LYLOTUQQMDFHHJ-JBBGMNHDSA-L

Molecular Formula

  • C47-H36-N14-O6-S.2Na

Molecular Weight

  • 968.9236
 
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Names and Synonyms

Name of Substance

  • Direct Brown 25

Synonyms

  • C.I. Direct Brown 25
  • EINECS 251-466-9
  • UNII-77QS9AIW2V

Systematic Names

  • Benzoic acid, 5-((4'-((4-((diamino((3-((2,4-diaminophenyl)azo)phenyl)azo)phenyl)azo)sulpho-1-naphthalenyl)azo)(1,1'-biphenyl)-4-yl)azo)-2-hydroxy-, disodium salt
  • Disodium 5-((4'-((4-((diamino((3-((2,4-diaminophenyl)azo)phenyl)azo)phenyl)azo)sulphonato-1-naphthyl)azo)(1,1'-biphenyl)-4-yl)azo)salicylate

Registry Numbers

CAS Registry Number

  • 33363-87-0

FDA UNII

  • 77QS9AIW2V

System Generated Number

  • 0033363870

Molecular Formulas

Molecular Formula

  • C47-H36-N14-O6-S.2Na

Molecular Formula Fragments

  • C47-H36-N14-O6-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C47H36N14O6S.2Na/c48-28-12-19-39(38(50)22-28)57-55-31-4-3-5-32(23-31)56-61-46-40(20-18-37(49)44(46)51)58-59-41-25-43(68(65,66)67)45(35-7-2-1-6-34(35)41)60-53-30-15-10-27(11-16-30)26-8-13-29(14-9-26)52-54-33-17-21-42(62)36(24-33)47(63)64;;/h1-25,62H,48-51H2,(H,63,64)(H,65,66,67);;/q;2*+1/p-2/b54-52+,57-55+,59-58+,60-53+,61-56+;;

InChIKey

LYLOTUQQMDFHHJ-JBBGMNHDSA-L

Smiles

c1(S(=O)(=O)[O-])c(/N=N/c2ccc(c3ccc(/N=N/c4cc(C(=O)[O-])c(cc4)O)cc3)cc2)c2c(c(c1)/N=N/c1c(/N=N/c3cc(/N=N/c4c(cc(N)cc4)N)ccc3)c(c(cc1)N)N)cccc2.[Na+].[Na+]