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Substance Name: 2-((4-((4-((4-Amino-9,10-dihydro-9,10-dioxo-3-sulpho-1-anthryl)amino)cyclohexyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)benzene-1,4-disulphonic acid, potassium sodium salt
RN: 83399-88-6
InChIKey: IGMZPYJVWPTADK-UHFFFAOYSA-N

Molecular Formula

  • C29-H26-Cl-N7-O11-S3.x-K.x-Na

Molecular Weight

  • 842.3014
 
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Names and Synonyms

Synonym

  • EINECS 280-401-7

Systematic Name

  • 2-((4-((4-((4-Amino-9,10-dihydro-9,10-dioxo-3-sulpho-1-anthryl)amino)cyclohexyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)benzene-1,4-disulphonic acid, potassium sodium salt

Registry Numbers

CAS Registry Number

  • 83399-88-6

System Generated Number

  • 0083399886

Molecular Formulas

Molecular Formula

  • C29-H26-Cl-N7-O11-S3.x-K.x-Na

Molecular Formula Fragments

  • C29-H26-Cl-N7-O11-S3
  • COMPONENT
  • K
  • Na

Structure Descriptors

InChI

1S/C29H26ClN7O11S3.K.Na/c30-27-35-28(37-29(36-27)34-18-11-15(49(40,41)42)9-10-20(18)50(43,44)45)33-14-7-5-13(6-8-14)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-3-1-2-4-17(16)26(23)39;;/h1-4,9-14,32H,5-8,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37);;/q;2*+1

InChIKey

IGMZPYJVWPTADK-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)S(=O)(=O)O)NC4CCC(CC4)Nc5nc(nc(n5)Cl)Nc6cc(ccc6S(=O)(=O)O)S(=O)(=O)O.[Na+].[K+]