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Substance Name: Sodium (4-((6-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulpho-2-naphthyl)azo)-3-hydroxy-7-nitronaphthalene-1-sulphonato(4-))chromate(1-)
RN: 100231-60-5
InChIKey: CMCNWPHYQLBUMC-DGVXSHAUSA-J

Molecular Formula

  • C23-H11-Cl-Cr-N8-O10-S2.Na

Molecular Weight

  • 733.9569
 
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Names and Synonyms

Synonym

  • EINECS 309-360-6

Systematic Name

  • Sodium (4-((6-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulpho-2-naphthyl)azo)-3-hydroxy-7-nitronaphthalene-1-sulphonato(4-))chromate(1-)

Registry Numbers

CAS Registry Number

  • 100231-60-5

System Generated Number

  • 0100231605

Molecular Formulas

Molecular Formula

  • C23-H11-Cl-Cr-N8-O10-S2.Na

Molecular Formula Fragments

  • C23-H11-Cl-Cr-N8-O10-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C23H15ClN8O10S2.Cr.Na/c24-21-27-22(25)29-23(28-21)26-10-1-3-12-9(5-10)6-17(44(40,41)42)19(20(12)34)31-30-18-13-4-2-11(32(35)36)7-14(13)16(8-15(18)33)43(37,38)39;;/h1-8,33-34H,(H,37,38,39)(H,40,41,42)(H3,25,26,27,28,29);;/q;+3;+1/p-4/b31-30+;;

InChIKey

CMCNWPHYQLBUMC-DGVXSHAUSA-J

Smiles

c1cc2c(cc1Nc3nc(nc(n3)Cl)N)cc4c\5c2O[Cr-]6(Oc7cc(c8cc(ccc8c7/N=N5)[N+](=O)[O-])S(=O)(=O)O6)OS4(=O)=O.[Na+]