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Substance Name: EINECS 268-516-0
RN: 68110-27-0
InChIKey: YGMMRWWPNJTWOC-AWGUFOLUSA-K

Molecular Formula

  • C27-H24-Cl2-N14-O12-S3.3Na

Molecular Weight

  • 969.623
 
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Names and Synonyms

Results Name

  • EINECS 268-516-0

Synonym

  • EINECS 268-516-0

Systematic Names

  • 1,3-Benzenedisulfonic acid, 4-((5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)azo)-6-((4-((3-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)-4-sulfophenyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)-, trisodium salt
  • 1,3-Benzenedisulfonic acid, 4-(2-(5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)diazenyl)-6-((4-((3-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)-4-sulfophenyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)-, sodium salt (1:3)

Registry Numbers

CAS Registry Number

  • 68110-27-0

System Generated Number

  • 0068110270

Molecular Formulas

Molecular Formula

  • C27-H24-Cl2-N14-O12-S3.3Na

Molecular Formula Fragments

  • C27-H24-Cl2-N14-O12-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C27H24Cl2N14O12S3.3Na/c1-3-43-20(45)17(19(30)44)9(2)18(21(43)46)42-41-13-7-12(15(57(50,51)52)8-16(13)58(53,54)55)34-27-38-23(29)37-25(40-27)32-10-4-5-14(56(47,48)49)11(6-10)33-26-36-22(28)35-24(31)39-26;;;/h4-8,46H,3H2,1-2H3,(H2,30,44)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H3,31,33,35,36,39)(H2,32,34,37,38,40);;;/q;3*+1/p-3/b42-41+;;;

InChIKey

YGMMRWWPNJTWOC-AWGUFOLUSA-K

Smiles

[Na+].[Na+].[Na+].c1(cc(c(cc1Nc1nc(nc(n1)Nc1cc(c(cc1)S(=O)(=O)[O-])Nc1nc(nc(n1)N)Cl)Cl)\N=N\c1c(n(c(c(c1C)C(=O)N)=O)CC)O)S(=O)(=O)[O-])S(=O)(=O)[O-]