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Substance Name: 4-((4,6-Dichloro-1,3,5-triazin-2-yl)amino)-5-hydroxy-6-((4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)naphthalene-1,7-disulphonic acid, sodium salt
RN: 94232-66-3
InChIKey: WHGZQBPPEUUKSH-IAXIIBAVSA-K

Molecular Formula

  • C21-H16-Cl2-N6-O13-S4.x-Na

Molecular Weight

  • 825.5027
 
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Names and Synonyms

Synonym

  • EINECS 303-994-7

Systematic Name

  • 4-((4,6-Dichloro-1,3,5-triazin-2-yl)amino)-5-hydroxy-6-((4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)naphthalene-1,7-disulphonic acid, sodium salt

Registry Numbers

CAS Registry Number

  • 94232-66-3

System Generated Number

  • 0094232663

Molecular Formulas

Molecular Formula

  • C21-H16-Cl2-N6-O13-S4.x-Na

Molecular Formula Fragments

  • C21-H16-Cl2-N6-O13-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C21H16Cl2N6O13S4.3Na/c22-19-25-20(23)27-21(26-19)24-13-5-6-14(44(33,34)35)12-9-15(45(36,37)38)17(18(30)16(12)13)29-28-10-1-3-11(4-2-10)43(31,32)8-7-42-46(39,40)41;;;/h1-6,9,30H,7-8H2,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,24,25,26,27);;;/q;3*+1/p-3/b29-28+;;;

InChIKey

WHGZQBPPEUUKSH-IAXIIBAVSA-K

Smiles

c1(S(=O)(=O)[O-])c(c(c2c(c(S(=O)(=O)[O-])ccc2Nc2nc(nc(n2)Cl)Cl)c1)O)/N=N/c1ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]