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Substance Name: EINECS 279-408-8
RN: 80157-00-2
InChIKey: UIEBGVDTKLYGTN-SAZRNXKXSA-J

Classification Code

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

Molecular Formula

  • C28-H24-Cl-N9-O16-S5.4Na

Molecular Weight

  • 1026.26
 
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Names and Synonyms

Results Name

  • EINECS 279-408-8

Synonyms

  • EC 279-408-8
  • EINECS 279-408-8

Systematic Names

  • 1,3,6-Naphthalenetrisulfonic acid, 7-((2-((aminocarbonyl)amino)-4-((4-chloro-6-((3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)phenyl)azo)-, tetrasodium salt
  • 1,3,6-Naphthalenetrisulfonic acid, 7-(2-(2-((aminocarbonyl)amino)-4-((4-chloro-6-((3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)phenyl)diazenyl)-, sodium salt (1:4)
  • Tetrasodium 7-((2-((aminocarbonyl)amino)-4-((4-chloro-6-((3-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)phenyl)azo)naphthalene-1,3,6-trisulphonate

Registry Numbers

CAS Registry Number

  • 80157-00-2

Other Registry Number

  • 842167-12-8

System Generated Number

  • 0080157002

Molecular Formulas

Molecular Formula

  • C28-H24-Cl-N9-O16-S5.4Na

Molecular Formula Fragments

  • C28-H24-Cl-N9-O16-S5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C28H24ClN9O16S5.4Na/c29-25-34-27(31-15-2-1-3-17(10-15)55(40,41)7-6-54-59(51,52)53)36-28(35-25)32-16-4-5-20(21(11-16)33-26(30)39)37-38-22-13-19-14(9-24(22)58(48,49)50)8-18(56(42,43)44)12-23(19)57(45,46)47;;;;/h1-5,8-13H,6-7H2,(H3,30,33,39)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H2,31,32,34,35,36);;;;/q;4*+1/p-4/b38-37+;;;;

InChIKey

UIEBGVDTKLYGTN-SAZRNXKXSA-J

Smiles

[Na+].[Na+].[Na+].[Na+].c1(cc(cc2cc(c(cc12)\N=N\c1c(cc(cc1)Nc1nc(nc(n1)Cl)Nc1cc(ccc1)S(=O)(=O)CCOS(=O)(=O)[O-])NC(=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]