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Substance Name: EINECS 279-496-8
RN: 80573-11-1
InChIKey: IVGYQZLICVKXEQ-RSGIGJCESA-K

Molecular Formula

  • C28-H20-Cl-F2-N7-O10-S3.3Na

Molecular Weight

  • 850.0983
 
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Names and Synonyms

Results Name

  • EINECS 279-496-8

Synonym

  • EINECS 279-496-8

Systematic Name

  • Trisodium 7-((4-((4-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)phenyl)azo)-5-methoxy-2-methylphenyl)azo)naphthalene-1,3,5-trisulphonate

Registry Numbers

CAS Registry Number

  • 80573-11-1

System Generated Number

  • 0080573111

Molecular Formulas

Molecular Formula

  • C28-H20-Cl-F2-N7-O10-S3.3Na

Molecular Formula Fragments

  • C28-H20-Cl-F2-N7-O10-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C28H20ClF2N7O10S3.3Na/c1-13-7-21(38-35-15-5-3-14(4-6-15)32-27-25(29)26(30)33-28(31)34-27)22(48-2)12-20(13)37-36-16-8-18-19(23(9-16)50(42,43)44)10-17(49(39,40)41)11-24(18)51(45,46)47;;;/h3-12H,1-2H3,(H,32,33,34)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;/q;3*+1/p-3/b37-36+,38-35+;;;

InChIKey

IVGYQZLICVKXEQ-RSGIGJCESA-K

Smiles

Cc1cc(c(cc1/N=N/c2cc3c(cc(cc3S(=O)(=O)[O-])S(=O)(=O)[O-])c(c2)S(=O)(=O)[O-])OC)/N=N/c4ccc(cc4)Nc5c(c(nc(n5)F)F)Cl.[Na+].[Na+].[Na+]