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Substance Name: Tetrasodium (3-hydroxy-4-((2-hydroxy-1-naphthyl)azo)-7-nitronaphthalene-1-sulphonato(3-))(3-hydroxy-4-((2-hydroxy-6-sulpho-1-naphthyl)azo)-7-nitronaphthalene-1-sulphonato(4-))chromate(4-)
RN: 97416-94-9
InChIKey: KPKBXCMDNRTFJQ-ZFHAPSNZSA-G

Molecular Formula

  • C40-H19-Cr-N6-O17-S3.4Na

Molecular Weight

  • 1095.7691
 
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Names and Synonyms

Synonym

  • EINECS 306-843-3

Systematic Name

  • Tetrasodium (3-hydroxy-4-((2-hydroxy-1-naphthyl)azo)-7-nitronaphthalene-1-sulphonato(3-))(3-hydroxy-4-((2-hydroxy-6-sulpho-1-naphthyl)azo)-7-nitronaphthalene-1-sulphonato(4-))chromate(4-)

Registry Numbers

CAS Registry Number

  • 97416-94-9

System Generated Number

  • 0097416949

Molecular Formulas

Molecular Formula

  • C40-H19-Cr-N6-O17-S3.4Na

Molecular Formula Fragments

  • C40-H19-Cr-N6-O17-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C20H13N3O10S2.C20H13N3O7S.Cr.4Na/c24-16-6-1-10-7-12(34(28,29)30)3-5-13(10)19(16)21-22-20-14-4-2-11(23(26)27)8-15(14)18(9-17(20)25)35(31,32)33;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;;;;;/h1-9,24-25H,(H,28,29,30)(H,31,32,33);1-10,24-25H,(H,28,29,30);;;;;/q;;+3;4*+1/p-7/b2*22-21+;;;;;

InChIKey

KPKBXCMDNRTFJQ-ZFHAPSNZSA-G

Smiles

c1ccc2c(c1)ccc3c2/N=N/c4c5ccc(cc5c6cc4O[Cr-4]789(O3)(Oc1ccc2cc(ccc2c1/N=N/c1c2ccc(cc2c(cc1O7)S(=O)(=O)O8)[N+](=O)[O-])S(=O)(=O)O9)OS6(=O)=O)[N+](=O)[O-].[Na+].[Na+].[Na+].[Na+]