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Substance Name: Tetrasodium 5-((4-(((4-((4-((8-(acetylamino)-1-hydroxy-3,6-disulphonato-2-naphthyl)azo)-3-ethoxy-7-sulphonato-1-naphthyl)azo)phenyl)amino)carbonyl)phenyl)azo)salicylate
RN: 6859-12-7
InChIKey: RSUUBRPTBPEKGS-VLHFHLBJSA-J

Molecular Formula

  • C44-H34-N8-O16-S3.4Na

Molecular Weight

  • 1114.919
 
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Names and Synonyms

Synonym

  • EINECS 229-956-9

Systematic Name

  • Tetrasodium 5-((4-(((4-((4-((8-(acetylamino)-1-hydroxy-3,6-disulphonato-2-naphthyl)azo)-3-ethoxy-7-sulphonato-1-naphthyl)azo)phenyl)amino)carbonyl)phenyl)azo)salicylate

Registry Numbers

CAS Registry Number

  • 6859-12-7

System Generated Number

  • 0006859127

Molecular Formulas

Molecular Formula

  • C44-H34-N8-O16-S3.4Na

Molecular Formula Fragments

  • C44-H34-N8-O16-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C44H34N8O16S3.4Na/c1-3-68-37-21-34(50-48-27-10-8-25(9-11-27)46-43(56)23-4-6-26(7-5-23)47-49-28-12-15-36(54)33(18-28)44(57)58)32-19-29(69(59,60)61)13-14-31(32)40(37)51-52-41-38(71(65,66)67)17-24-16-30(70(62,63)64)20-35(45-22(2)53)39(24)42(41)55;;;;/h4-21,54-55H,3H2,1-2H3,(H,45,53)(H,46,56)(H,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67);;;;/q;4*+1/p-4/b49-47+,50-48+,52-51+;;;;

InChIKey

RSUUBRPTBPEKGS-VLHFHLBJSA-J

Smiles

CCOc1cc(c2cc(ccc2c1/N=N/c3c(cc4cc(cc(c4c3O)NC(=O)C)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])/N=N/c5ccc(cc5)NC(=O)c6ccc(cc6)/N=N/c7ccc(c(c7)C(=O)[O-])O.[Na+].[Na+].[Na+].[Na+]