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Substance Name: Trisodium 3-((2-chloro-4-nitrophenyl)azo)-5-((2,4-dihydroxy-5-((4-((4-nitro-2-sulphonatophenyl)amino)phenyl)azo)phenyl)azo)-4-hydroxynaphthalene-2,7-disulphonate
RN: 85391-42-0
InChIKey: BRWNZTIAGONBGF-SRIVTYTMSA-K

Molecular Formula

  • C34-H22-Cl-N9-O16-S3.3Na

Molecular Weight

  • 1010.1921
 
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Names and Synonyms

Synonym

  • EINECS 286-796-2

Systematic Name

  • Trisodium 3-((2-chloro-4-nitrophenyl)azo)-5-((2,4-dihydroxy-5-((4-((4-nitro-2-sulphonatophenyl)amino)phenyl)azo)phenyl)azo)-4-hydroxynaphthalene-2,7-disulphonate

Registry Numbers

CAS Registry Number

  • 85391-42-0

System Generated Number

  • 0085391420

Molecular Formulas

Molecular Formula

  • C34-H22-Cl-N9-O16-S3.3Na

Molecular Formula Fragments

  • C34-H22-Cl-N9-O16-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C34H22ClN9O16S3.3Na/c35-22-11-19(43(48)49)5-7-23(22)38-42-33-31(63(58,59)60)10-16-9-21(61(52,53)54)13-27(32(16)34(33)47)41-40-26-14-25(28(45)15-29(26)46)39-37-18-3-1-17(2-4-18)36-24-8-6-20(44(50)51)12-30(24)62(55,56)57;;;/h1-15,36,45-47H,(H,52,53,54)(H,55,56,57)(H,58,59,60);;;/q;3*+1/p-3/b39-37+,41-40+,42-38+;;;

InChIKey

BRWNZTIAGONBGF-SRIVTYTMSA-K

Smiles

c1cc(ccc1Nc2ccc(cc2S(=O)(=O)[O-])[N+](=O)[O-])/N=N/c3cc(c(cc3O)O)/N=N/c4cc(cc5c4c(c(c(c5)S(=O)(=O)[O-])/N=N/c6ccc(cc6Cl)[N+](=O)[O-])O)S(=O)(=O)[O-].[Na+].[Na+].[Na+]