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Substance Name: EINECS 289-529-8
RN: 89899-24-1
InChIKey: TUVSRZLMEMMGBJ-VYDGEVDGSA-I

Molecular Formula

  • C35-H21-Br2-Cr-N9-O15-S2.3Na

Molecular Weight

  • 1152.5049
 
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Names and Synonyms

Results Name

  • EINECS 289-529-8

Synonym

  • EINECS 289-529-8

Systematic Name

  • Chromate(3-), (6-((2,3-dibromo-1-oxopropyl)amino)-4-hydroxy-3-((2-hydroxy-5-nitro-3-sulfophenyl)azo)-2-naphthalenesulfonato(4-))(2,4-dihydro-4-((2-hydroxy-5-nitrophenyl)azo)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-))-, trisodium

Registry Numbers

CAS Registry Number

  • 89899-24-1

System Generated Number

  • 0089899241

Molecular Formulas

Molecular Formula

  • C35-H21-Br2-Cr-N9-O15-S2.3Na

Molecular Formula Fragments

  • C35-H21-Br2-Cr-N9-O15-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C19H14Br2N4O11S2.C16H12N5O4.Cr.3Na/c20-7-12(21)19(28)22-9-2-1-8-3-14(37(31,32)33)16(17(26)11(8)4-9)24-23-13-5-10(25(29)30)6-15(18(13)27)38(34,35)36;1-10-15(16(23)20(19-10)11-5-3-2-4-6-11)18-17-13-9-12(21(24)25)7-8-14(13)22;;;;/h1-6,12,26-27H,7H2,(H,22,28)(H,31,32,33)(H,34,35,36);2-9,22H,1H3;;;;/q;;+2;3*+1/p-5/b24-23+;18-17+;;;;

InChIKey

TUVSRZLMEMMGBJ-VYDGEVDGSA-I

Smiles

[Na+].[Na+].[Na+].CC1=NN(C(=O)C12N=Nc3cc(ccc3O[Cr-3]2456Oc7c(cc(cc7S(=O)(=O)O4)[N+](=O)[O-])N=Nc8c(O5)c9cc(NC(=O)C(Br)CBr)ccc9cc8S(=O)(=O)O6)[N+](=O)[O-])c%10ccccc%10