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Substance Name: 1,3-Benzenedisulfonic acid, 4-((4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino)-6-((2,5,6-trichloro-4-pyrimidinyl)amino)-, sodium salt (1:3)
RN: 72139-16-3
InChIKey: KGWYMHSWTWJPQV-UHFFFAOYSA-K

Molecular Formula

  • C24-H14-Cl3-N5-O11-S3.3Na

Molecular Weight

  • 816.902
 
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Names and Synonyms

Synonym

  • EINECS 276-373-0

Systematic Names

  • 1,3-Benzenedisulfonic acid, 4-((4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino)-6-((2,5,6-trichloro-4-pyrimidinyl)amino)-, sodium salt (1:3)
  • 1,3-Benzenedisulfonic acid, 4-((4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino)-6-((2,5,6-trichloro-4-pyrimidinyl)amino)-, trisodium salt
  • Trisodium 4-((4-amino-9,10-dihydro-9,10-dioxo-3-sulphonato-1-anthryl)amino)-6-((2,5,6-trichloropyrimidin-4-yl)amino)benzene-1,3-disulphonate

Registry Numbers

CAS Registry Number

  • 72139-16-3

System Generated Number

  • 0072139163

Molecular Formulas

Molecular Formula

  • C24-H14-Cl3-N5-O11-S3.3Na

Molecular Formula Fragments

  • C24-H14-Cl3-N5-O11-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C24H14Cl3N5O11S3.3Na/c25-18-22(26)31-24(27)32-23(18)30-11-5-10(13(44(35,36)37)7-14(11)45(38,39)40)29-12-6-15(46(41,42)43)19(28)17-16(12)20(33)8-3-1-2-4-9(8)21(17)34;;;/h1-7,29H,28H2,(H,30,31,32)(H,35,36,37)(H,38,39,40)(H,41,42,43);;;/q;3*+1/p-3

InChIKey

KGWYMHSWTWJPQV-UHFFFAOYSA-K

Smiles

[Na+].[Na+].[Na+].c1(cc(c(cc1Nc1nc(nc(c1Cl)Cl)Cl)Nc1cc(c(c2C(c3ccccc3C(c12)=O)=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]