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Substance Name: 1,5-Naphthalenedisulfonic acid, 3-(4-(2-(5-((4-fluoro-6-((2-methylphenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)diazenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, sodium salt (1:3)
RN: 69929-13-1
InChIKey: ZRTOSNXWFXLLCA-CKWCPUEPSA-K

Molecular Formula

  • C30-H24-F-N9-O10-S3.3Na

Molecular Weight

  • 851.715
 
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Names and Synonyms

Synonym

  • EINECS 274-220-2

Systematic Names

  • 1,5-Naphthalenedisulfonic acid, 3-(4-((5-((4-fluoro-6-((2-methylphenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, trisodium salt
  • 1,5-Naphthalenedisulfonic acid, 3-(4-(2-(5-((4-fluoro-6-((2-methylphenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)diazenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, sodium salt (1:3)
  • Trisodium 3-(4-((5-((4-fluoro-6-((o-tolyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulphonatophenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)naphthalene-1,5-disulphonate

Registry Numbers

CAS Registry Number

  • 69929-13-1

System Generated Number

  • 0069929131

Molecular Formulas

Molecular Formula

  • C30-H24-F-N9-O10-S3.3Na

Molecular Formula Fragments

  • C30-H24-F-N9-O10-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C30H24FN9O10S3.3Na/c1-15-6-3-4-8-21(15)33-30-35-28(31)34-29(36-30)32-17-10-11-24(52(45,46)47)22(12-17)37-38-26-16(2)39-40(27(26)41)18-13-20-19(25(14-18)53(48,49)50)7-5-9-23(20)51(42,43)44;;;/h3-14,26H,1-2H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,32,33,34,35,36);;;/q;3*+1/p-3/b38-37+;;;

InChIKey

ZRTOSNXWFXLLCA-CKWCPUEPSA-K

Smiles

[Na+].[Na+].[Na+].c1(cc(cc2c(cccc12)S(=O)(=O)[O-])N1N=C([C@@H](C1=O)\N=N\c1c(ccc(c1)Nc1nc(nc(n1)F)Nc1c(cccc1)C)S(=O)(=O)[O-])C)S(=O)(=O)[O-]