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Substance Name: 1,3,6-Naphthalenetrisulfonic acid, 7-(2-(2-((aminocarbonyl)amino)-4-((4-chloro-6-((4-(ethenylsulfonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)phenyl)diazenyl)-, sodium salt (1:?)
RN: 94158-80-2
InChIKey: VTUOBKIWAOSFFD-CKWCPUEPSA-K

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C28-H22-Cl-N9-O12-S4.x-Na

Molecular Weight

  • 906.1961
 
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Names and Synonyms

Synonym

  • EINECS 303-153-4

Systematic Names

  • 1,3,6-Naphthalenetrisulfonic acid, 7-((2-((aminocarbonyl)amino)-4-((4-chloro-6-((4-(ethenylsulfonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)phenyl)azo)-, sodium salt
  • 1,3,6-Naphthalenetrisulfonic acid, 7-(2-(2-((aminocarbonyl)amino)-4-((4-chloro-6-((4-(ethenylsulfonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)phenyl)diazenyl)-, sodium salt (1:?)
  • 7-((2-((Aminocarbonyl)amino)-4-((4-chloro-6-((4-(vinylsulphonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)phenyl)azo)naphthalene-1,3,6-trisulphonic acid, sodium salt

Registry Numbers

CAS Registry Number

  • 94158-80-2

System Generated Number

  • 0094158802

Molecular Formulas

Molecular Formula

  • C28-H22-Cl-N9-O12-S4.x-Na

Molecular Formula Fragments

  • C28-H22-Cl-N9-O12-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C28H22ClN9O12S4.3Na/c1-2-51(40,41)17-6-3-15(4-7-17)31-27-34-25(29)35-28(36-27)32-16-5-8-20(21(11-16)33-26(30)39)37-38-22-13-19-14(10-24(22)54(48,49)50)9-18(52(42,43)44)12-23(19)53(45,46)47;;;/h2-13H,1H2,(H3,30,33,39)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,31,32,34,35,36);;;/q;3*+1/p-3/b38-37+;;;

InChIKey

VTUOBKIWAOSFFD-CKWCPUEPSA-K

Smiles

S(=O)(=O)(c1c(/N=N/c2c(NC(=O)N)cc(Nc3nc(nc(n3)Cl)Nc3ccc(S(=O)(=O)C=C)cc3)cc2)cc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2c1)[O-].[Na+].[Na+].[Na+]