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Substance Name: 4-((5-(Aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)azo)-6-((4,6-dichloro-1,3,5-triazin-2-yl)amino)benzene-1,3-disulphonic acid
RN: 85213-60-1
InChIKey: MDKOFBSUTXSGLO-CYYJNZCTSA-N

Molecular Formula

  • C18-H16-Cl2-N8-O9-S2

Molecular Weight

  • 623.4094
 
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Names and Synonyms

Synonym

  • EINECS 286-346-5

Systematic Name

  • 4-((5-(Aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)azo)-6-((4,6-dichloro-1,3,5-triazin-2-yl)amino)benzene-1,3-disulphonic acid

Registry Numbers

CAS Registry Number

  • 85213-60-1

System Generated Number

  • 0085213601

Structure Descriptors

InChI

1S/C18H16Cl2N8O9S2/c1-3-28-14(30)11(13(21)29)6(2)12(15(28)31)27-26-8-4-7(22-18-24-16(19)23-17(20)25-18)9(38(32,33)34)5-10(8)39(35,36)37/h4-5,31H,3H2,1-2H3,(H2,21,29)(H,32,33,34)(H,35,36,37)(H,22,23,24,25)/b27-26+

InChIKey

MDKOFBSUTXSGLO-CYYJNZCTSA-N

Smiles

CCn1c(c(c(c(c1=O)C(=O)N)C)/N=N/c2cc(c(cc2S(=O)(=O)O)S(=O)(=O)O)Nc3nc(nc(n3)Cl)Cl)O