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Substance Name: Chromate(3-), (4-hydroxy-3-((2-hydroxy-3,5-dinitrophenyl)azo)-6-(((4-methylphenyl)sulfonyl)amino)-2-naphthalenesulfonato(3-))(3-hydroxy-4-((2-hydroxy-1-naphthalenyl)azo)-7-nitro-1-naphthalenesulfonato(3-))-, trihydrogen
RN: 94276-81-0
InChIKey: TXNQQQKHXFOYEO-MGVZWJELSA-K

Molecular Formula

  • C43-H24-Cr-N8-O18-S3.3H

Molecular Weight

  • 1091.9183
 
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Names and Synonyms

Synonym

  • EINECS 304-567-8

Systematic Name

  • Chromate(3-), (4-hydroxy-3-((2-hydroxy-3,5-dinitrophenyl)azo)-6-(((4-methylphenyl)sulfonyl)amino)-2-naphthalenesulfonato(3-))(3-hydroxy-4-((2-hydroxy-1-naphthalenyl)azo)-7-nitro-1-naphthalenesulfonato(3-))-, trihydrogen

Registry Numbers

CAS Registry Number

  • 94276-81-0

System Generated Number

  • 0094276810

Molecular Formulas

Molecular Formula

  • C43-H24-Cr-N8-O18-S3.3H

Molecular Formula Fragments

  • C43-H24-Cr-N8-O18-S3
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C23H17N5O11S2.C20H13N3O7S.Cr/c1-12-2-6-16(7-3-12)40(35,36)26-14-5-4-13-8-20(41(37,38)39)21(22(29)17(13)9-14)25-24-18-10-15(27(31)32)11-19(23(18)30)28(33)34;24-16-8-5-11-3-1-2-4-13(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;/h2-11,26,29-30H,1H3,(H,37,38,39);1-10,24-25H,(H,28,29,30);/q;;+3/p-3/b25-24+;22-21+;

InChIKey

TXNQQQKHXFOYEO-MGVZWJELSA-K

Smiles

[H+].[H+].[H+].Cc1ccc(cc1)S(=O)(=O)Nc2ccc3cc4c\5c(c3c2)O[Cr-3]67(Oc8ccc9ccccc9c8/N=N/c1c2ccc(cc2c(cc1O6)S(=O)(=O)O7)[N+](=O)[O-])(Oc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])/N=N5)OS4(=O)=O