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Substance Name: EINECS 267-229-8
RN: 67827-65-0
InChIKey: FHPCVNIAKQVHJE-XDNAISPFSA-J

Molecular Formula

  • C32-H27-Cl2-N11-O14-S4.4Na

Molecular Weight

  • 1060.73
 
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Names and Synonyms

Results Name

  • EINECS 267-229-8

Synonyms

  • 2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-((3-((4-chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl)amino)-4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((4-methyl-2-sulfophenyl)azo)-, tetrasodium salt
  • EINECS 267-229-8

Systematic Names

  • 2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-((3-((4-chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl)amino)-4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((4-methyl-2-sulfophenyl)azo)-, tetrasodium salt
  • 2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-((3-((4-chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl)amino)-4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-(4-methyl-2-sulfophenyl)diazenyl)-, sodium salt (1:4)

Registry Numbers

CAS Registry Number

  • 67827-65-0

System Generated Number

  • 0067827650

Molecular Formulas

Molecular Formula

  • C32-H27-Cl2-N11-O14-S4.4Na

Molecular Formula Fragments

  • C32-H27-Cl2-N11-O14-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C32H27Cl2N11O13S4.4Na/c1-13(2)27-38-28(33)40-31(39-27)36-19-11-16(5-7-21(19)60(50,51)52)35-30-41-29(34)42-32(43-30)37-20-12-17(59(47,48)49)9-15-10-23(62(56,57)58)25(26(46)24(15)20)45-44-18-6-4-14(3)8-22(18)61(53,54)55;;;;/h4-13,46H,1-3H3,(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,36,38,39,40)(H2,35,37,41,42,43);;;;/q;4*+1/p-4/b45-44-;;;;

InChIKey

FHPCVNIAKQVHJE-XDNAISPFSA-J

Smiles

S([O-])(=O)(=O)c1cc(c2c(cc(c(c2O)\N=N/c2ccc(cc2S([O-])(=O)=O)C)S([O-])(=O)=O)c1)Nc1nc(nc(n1)Cl)Nc1cc(Nc2nc(nc(n2)Cl)C(C)C)c(cc1)S([O-])(=O)=O.[Na+].[Na+].[Na+].[Na+]