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Substance Name: Pentasodium 3-((4-((4-((4-chloro-6-((3-sulphonatophenyl)amino)-1,3,5-triazin-2-yl)amino)-2,5-dimethylphenyl)azo)-2,5-disulphonatophenyl)azo)-4-hydroxy-5-(phenylamino)naphthalene-2,7-disulphonate
RN: 93983-23-4
InChIKey: WXWWFFKUYGVUIQ-YTFKOSORSA-I

Molecular Formula

  • C39-H31-Cl-N10-O16-S5.5Na

Molecular Weight

  • 1201.4214
 
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Names and Synonyms

Synonym

  • EINECS 301-312-2

Systematic Names

  • 2,7-Naphthalenedisulfonic acid, 3-((4-((4-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2,5-dimethylphenyl)azo)-2,5-disulfophenyl)azo)-4-hydroxy-5-(phenylamino)-, pentasodium salt
  • Pentasodium 3-((4-((4-((4-chloro-6-((3-sulphonatophenyl)amino)-1,3,5-triazin-2-yl)amino)-2,5-dimethylphenyl)azo)-2,5-disulphonatophenyl)azo)-4-hydroxy-5-(phenylamino)naphthalene-2,7-disulphonate

Registry Numbers

CAS Registry Number

  • 93983-23-4

System Generated Number

  • 0093983234

Molecular Formulas

Molecular Formula

  • C39-H31-Cl-N10-O16-S5.5Na

Molecular Formula Fragments

  • C39-H31-Cl-N10-O16-S5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C39H31ClN10O16S5.5Na/c1-19-12-27(20(2)11-26(19)43-39-45-37(40)44-38(46-39)42-23-9-6-10-24(15-23)67(52,53)54)47-48-28-17-32(70(61,62)63)29(18-31(28)69(58,59)60)49-50-35-33(71(64,65)66)14-21-13-25(68(55,56)57)16-30(34(21)36(35)51)41-22-7-4-3-5-8-22;;;;;/h3-18,41,51H,1-2H3,(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H2,42,43,44,45,46);;;;;/q;5*+1/p-5/b48-47+,50-49+;;;;;

InChIKey

WXWWFFKUYGVUIQ-YTFKOSORSA-I

Smiles

c1(S(=O)(=O)[O-])c(c(c2c(cc(S(=O)(=O)[O-])cc2c1)Nc1ccccc1)O)/N=N/c1c(S(=O)(=O)[O-])cc(c(S(=O)(=O)[O-])c1)/N=N/c1cc(c(Nc2nc(nc(n2)Cl)Nc2cc(S(=O)(=O)[O-])ccc2)cc1C)C.[Na+].[Na+].[Na+].[Na+].[Na+]