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Substance Name: 2-((6-((6-Anilino-4-fluoro-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulpho-2-naphthyl)azo)-5-methoxybenzene-1,4-disulphonic acid, sodium salt
RN: 83399-95-5
InChIKey: VSDDLVKBXIWNQF-RCWDREBLSA-K

Molecular Formula

  • C26-H20-F-N7-O11-S3.x-Na

Molecular Weight

  • 787.6243
 
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Names and Synonyms

Synonym

  • EINECS 280-409-0

Systematic Names

  • 1,4-Benzenedisulfonic acid, 2-((6-((4-fluoro-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-5-methoxy-, sodium salt
  • 2-((6-((6-Anilino-4-fluoro-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulpho-2-naphthyl)azo)-5-methoxybenzene-1,4-disulphonic acid, sodium salt

Registry Numbers

CAS Registry Number

  • 83399-95-5

System Generated Number

  • 0083399955

Molecular Formulas

Molecular Formula

  • C26-H20-F-N7-O11-S3.x-Na

Molecular Formula Fragments

  • C26-H20-F-N7-O11-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C26H20FN7O11S3.3Na/c1-45-18-12-19(46(36,37)38)17(11-20(18)47(39,40)41)33-34-22-21(48(42,43)44)10-13-9-15(7-8-16(13)23(22)35)29-26-31-24(27)30-25(32-26)28-14-5-3-2-4-6-14;;;/h2-12,35H,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H2,28,29,30,31,32);;;/q;3*+1/p-3/b34-33+;;;

InChIKey

VSDDLVKBXIWNQF-RCWDREBLSA-K

Smiles

COc1cc(c(cc1S(=O)(=O)[O-])/N=N/c2c(cc3cc(ccc3c2O)Nc4nc(nc(n4)F)Nc5ccccc5)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]