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Substance Name: EINECS 285-751-4
RN: 85136-27-2
InChIKey: OJWJUULVVCBILW-ZRCOUJIOSA-K

Molecular Formula

  • C29-H25-Cl-N8-O10-S2.3Na

Molecular Weight

  • 811.0938
 
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Names and Synonyms

Results Name

  • EINECS 285-751-4

Synonym

  • EINECS 285-751-4

Systematic Name

  • Trisodium 4-((4-((6-(3-tert-butylphenoxy)-4-chloro-1,3,5-triazin-2-yl)amino)-2-sulphonatophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate

Registry Numbers

CAS Registry Number

  • 85136-27-2

System Generated Number

  • 0085136272

Molecular Formulas

Molecular Formula

  • C29-H25-Cl-N8-O10-S2.3Na

Molecular Formula Fragments

  • C29-H25-Cl-N8-O10-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C29H25ClN8O10S2.3Na/c1-29(2,3)15-5-4-6-18(13-15)48-28-33-26(30)32-27(34-28)31-16-7-12-20(21(14-16)50(45,46)47)35-36-22-23(25(40)41)37-38(24(22)39)17-8-10-19(11-9-17)49(42,43)44;;;/h4-14,22H,1-3H3,(H,40,41)(H,42,43,44)(H,45,46,47)(H,31,32,33,34);;;/q;3*+1/p-3/b36-35+;;;

InChIKey

OJWJUULVVCBILW-ZRCOUJIOSA-K

Smiles

C1(=NN(C(=O)C1/N=N/c1c(S(=O)(=O)[O-])cc(Nc2nc(nc(n2)Cl)Oc2cc(C(C)(C)C)ccc2)cc1)c1ccc(S(=O)(=O)[O-])cc1)C(=O)[O-].[Na+].[Na+].[Na+]