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Substance Name: Tetrasodium 2-((8-((4-chloro-6-((4-(6-methyl-5-sulphonatobenzothiazol-2-yl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3,6-disulphonato-2-naphthyl)azo)benzoate
RN: 94231-76-2
InChIKey: SGBQWDBCOGFBFC-OCZBQVCASA-J

Molecular Formula

  • C34-H23-Cl-N8-O12-S4.4Na

Molecular Weight

  • 987.2451
 
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Names and Synonyms

Synonym

  • EINECS 303-896-4

Systematic Name

  • Tetrasodium 2-((8-((4-chloro-6-((4-(6-methyl-5-sulphonatobenzothiazol-2-yl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3,6-disulphonato-2-naphthyl)azo)benzoate

Registry Numbers

CAS Registry Number

  • 94231-76-2

System Generated Number

  • 0094231762

Molecular Formulas

Molecular Formula

  • C34-H23-Cl-N8-O12-S4.4Na

Molecular Formula Fragments

  • C34-H23-Cl-N8-O12-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C34H23ClN8O12S4.4Na/c1-15-10-24-22(14-25(15)58(50,51)52)37-30(56-24)16-6-8-18(9-7-16)36-33-39-32(35)40-34(41-33)38-23-13-19(57(47,48)49)11-17-12-26(59(53,54)55)28(29(44)27(17)23)43-42-21-5-3-2-4-20(21)31(45)46;;;;/h2-14,44H,1H3,(H,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H2,36,38,39,40,41);;;;/q;4*+1/p-4/b43-42+;;;;

InChIKey

SGBQWDBCOGFBFC-OCZBQVCASA-J

Smiles

c1(S(=O)(=O)[O-])c(c(c2c(Nc3nc(nc(n3)Cl)Nc3ccc(c4nc5cc(S(=O)(=O)[O-])c(cc5s4)C)cc3)cc(S(=O)(=O)[O-])cc2c1)O)/N=N/c1c(C(=O)[O-])cccc1.[Na+].[Na+].[Na+].[Na+]