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Substance Name: Trisodium (3-((8-acetamido-2-hydroxy-1-naphthyl)azo)-2-hydroxy-5-nitrobenzenesulphonato(3-))(3-hydroxy-4-((2-hydroxy-1-naphthyl)azo)-7-nitronaphthalene-1-sulphonato(3-))chromate(3-)
RN: 84057-74-9
InChIKey: HLLIUVJWNSQKBJ-YDDOJYTLSA-H

Molecular Formula

  • C38-H21-Cr-N7-O15-S2.3Na

Molecular Weight

  • 1000.7159
 
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Names and Synonyms

Synonym

  • EINECS 281-892-0

Systematic Name

  • Trisodium (3-((8-acetamido-2-hydroxy-1-naphthyl)azo)-2-hydroxy-5-nitrobenzenesulphonato(3-))(3-hydroxy-4-((2-hydroxy-1-naphthyl)azo)-7-nitronaphthalene-1-sulphonato(3-))chromate(3-)

Registry Numbers

CAS Registry Number

  • 84057-74-9

System Generated Number

  • 0084057749

Molecular Formulas

Molecular Formula

  • C38-H21-Cr-N7-O15-S2.3Na

Molecular Formula Fragments

  • C38-H21-Cr-N7-O15-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C20H13N3O7S.C18H14N4O8S.Cr.3Na/c24-16-8-5-11-3-1-2-4-13(11)19(16)21-22-20-14-7-6-12(23(26)27)9-15(14)18(10-17(20)25)31(28,29)30;1-9(23)19-12-4-2-3-10-5-6-14(24)17(16(10)12)21-20-13-7-11(22(26)27)8-15(18(13)25)31(28,29)30;;;;/h1-10,24-25H,(H,28,29,30);2-8,24-25H,1H3,(H,19,23)(H,28,29,30);;;;/q;;+3;3*+1/p-6/b22-21+;21-20+;;;;

InChIKey

HLLIUVJWNSQKBJ-YDDOJYTLSA-H

Smiles

CC(=O)Nc1cccc2c1c\3c(cc2)O[Cr-3]456(Oc7ccc8ccccc8c7/N=N/c9c1ccc(cc1c(cc9O4)S(=O)(=O)O5)[N+](=O)[O-])Oc1c(cc(cc1S(=O)(=O)O6)[N+](=O)[O-])/N=N3.[Na+].[Na+].[Na+]