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Substance Name: Trisodium 4-((5-((4-(4-butylphenoxy)-6-chloro-1,3,5-triazin-2-yl)amino)-2-sulphonatophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrrole-3-carboxylate
RN: 97574-43-1
InChIKey: PZBVTCVOAVDFJQ-SJTGQFOWSA-K

Molecular Formula

  • C30-H26-Cl-N7-O10-S2.3Na

Molecular Weight

  • 810.1057
 
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Names and Synonyms

Synonym

  • EINECS 307-253-9

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 97574-43-1

System Generated Number

  • 0097574431

Molecular Formulas

Molecular Formula

  • C30-H26-Cl-N7-O10-S2.3Na

Molecular Formula Fragments

  • C30-H26-Cl-N7-O10-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C30H26ClN7O10S2.3Na/c1-2-3-4-17-5-10-20(11-6-17)48-30-34-28(31)33-29(35-30)32-18-7-14-24(50(45,46)47)23(15-18)36-37-25-22(27(40)41)16-38(26(25)39)19-8-12-21(13-9-19)49(42,43)44;;;/h5-16,25H,2-4H2,1H3,(H,40,41)(H,42,43,44)(H,45,46,47)(H,32,33,34,35);;;/q;3*+1/p-3/b37-36+;;;

InChIKey

PZBVTCVOAVDFJQ-SJTGQFOWSA-K

Smiles

C1(=CN(C(=O)C1/N=N/c1c(S(=O)(=O)[O-])ccc(c1)Nc1nc(nc(n1)Cl)Oc1ccc(cc1)CCCC)c1ccc(S(=O)(=O)[O-])cc1)C(=O)[O-].[Na+].[Na+].[Na+]