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Substance Name: Tetrasodium 2-((4-chloro-6-((3-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl)azo)-4-sulphonatophenyl)amino)-1,3,5-triazin-2-yl)amino)benzene-1,4-disulphonate
RN: 94042-73-6
InChIKey: OHBPQSSYDJUTSH-QKELVUDESA-J

Molecular Formula

  • C25-H20-Cl-N9-O13-S4.4Na

Molecular Weight

  • 906.1284
 
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Names and Synonyms

Synonym

  • EINECS 301-738-9

Systematic Name

  • Tetrasodium 2-((4-chloro-6-((3-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl)azo)-4-sulphonatophenyl)amino)-1,3,5-triazin-2-yl)amino)benzene-1,4-disulphonate

Registry Numbers

CAS Registry Number

  • 94042-73-6

System Generated Number

  • 0094042736

Molecular Formulas

Molecular Formula

  • C25-H20-Cl-N9-O13-S4.4Na

Molecular Formula Fragments

  • C25-H20-Cl-N9-O13-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C25H20ClN9O13S4.4Na/c1-12-21(22(36)35(34-12)14-3-5-15(6-4-14)49(37,38)39)33-32-18-10-13(2-8-20(18)52(46,47)48)27-24-29-23(26)30-25(31-24)28-17-11-16(50(40,41)42)7-9-19(17)51(43,44)45;;;;/h2-11,21H,1H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,27,28,29,30,31);;;;/q;4*+1/p-4/b33-32+;;;;

InChIKey

OHBPQSSYDJUTSH-QKELVUDESA-J

Smiles

N1(C(=O)C(C(=N1)C)/N=N/c1c(S(=O)(=O)[O-])ccc(c1)Nc1nc(nc(n1)Cl)Nc1c(S(=O)(=O)[O-])ccc(S(=O)(=O)[O-])c1)c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+].[Na+]