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Substance Name: 5-((4-Chloro-6-((4-(vinylsulphonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((2-sulphophenyl)azo)naphthalene-2,7-disulphonic acid, sodium salt
RN: 94158-78-8
InChIKey: DMEMLBMLCSHYAF-FEISSGSOSA-K

Molecular Formula

  • C27-H20-Cl-N7-O12-S4.x-Na

Molecular Weight

  • 864.1553
 
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Names and Synonyms

Synonym

  • EINECS 303-151-3

Systematic Name

  • 5-((4-Chloro-6-((4-(vinylsulphonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((2-sulphophenyl)azo)naphthalene-2,7-disulphonic acid, sodium salt

Registry Numbers

CAS Registry Number

  • 94158-78-8

System Generated Number

  • 0094158788

Molecular Formulas

Molecular Formula

  • C27-H20-Cl-N7-O12-S4.x-Na

Molecular Formula Fragments

  • C27-H20-Cl-N7-O12-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C27H20ClN7O12S4.3Na/c1-2-48(37,38)16-9-7-15(8-10-16)29-26-31-25(28)32-27(33-26)30-19-13-17(49(39,40)41)11-14-12-21(51(45,46)47)23(24(36)22(14)19)35-34-18-5-3-4-6-20(18)50(42,43)44;;;/h2-13,36H,1H2,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H2,29,30,31,32,33);;;/q;3*+1/p-3/b35-34+;;;

InChIKey

DMEMLBMLCSHYAF-FEISSGSOSA-K

Smiles

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