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Substance Name: 1,5-Naphthalenedisulfonic acid, 2-(2-(8-((4-((4-chlorophenyl)amino)-6-fluoro-1,3,5-triazin-2-yl)amino)-1-hydroxy-3,6-disulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:4)
RN: 70833-54-4
InChIKey: UTIYORRFGQOXTE-SAZRNXKXSA-J

Molecular Formula

  • C29-H19-Cl-F-N7-O13-S4.4Na

Molecular Weight

  • 944.148
 
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Names and Synonyms

Synonyms

  • 2,7-Naphthalenedisulfonic acid, 4-((4-(4-chlorophenyl)amino-6-fluoro-1,3,5-triazin-2-yl)amino)-5-hydroxy-6-((1,5-disulfo-2-naphthyl)azo)-, tetrasodium salt
  • EINECS 274-921-3

Systematic Names

  • 1,5-Naphthalenedisulfonic acid, 2-((8-((4-((4-chlorophenyl)amino)-6-fluoro-1,3,5-triazin-2-yl)amino)-1-hydroxy-3,6-disulfo-2-naphthalenyl)azo)-, tetrasodium salt
  • 1,5-Naphthalenedisulfonic acid, 2-(2-(8-((4-((4-chlorophenyl)amino)-6-fluoro-1,3,5-triazin-2-yl)amino)-1-hydroxy-3,6-disulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:4)
  • Tetrasodium 2-((8-((4-((4-chlorophenyl)amino)-6-fluoro-1,3,5-triazin-2-yl)amino)-1-hydroxy-3,6-disulphonato-2-naphthyl)azo)naphthalene-1,5-disulphonate

Registry Numbers

CAS Registry Number

  • 70833-54-4

System Generated Number

  • 0070833544

Molecular Formulas

Molecular Formula

  • C29-H19-Cl-F-N7-O13-S4.4Na

Molecular Formula Fragments

  • C29-H19-Cl-F-N7-O13-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C29H19ClFN7O13S4.4Na/c30-14-4-6-15(7-5-14)32-28-34-27(31)35-29(36-28)33-20-12-16(52(40,41)42)10-13-11-22(54(46,47)48)24(25(39)23(13)20)38-37-19-9-8-17-18(26(19)55(49,50)51)2-1-3-21(17)53(43,44)45;;;;/h1-12,39H,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H2,32,33,34,35,36);;;;/q;4*+1/p-4/b38-37+;;;;

InChIKey

UTIYORRFGQOXTE-SAZRNXKXSA-J

Smiles

[Na+].[Na+].[Na+].[Na+].c1(c(ccc2c(cccc12)S(=O)(=O)[O-])\N=N\c1c(c2c(cc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-])Nc1nc(nc(n1)Nc1ccc(cc1)Cl)F)O)S(=O)(=O)[O-]