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Substance Name: 2-((1-Ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-5-(sulphomethyl)-3-pyridyl)azo)-5-((4-fluoro-6-((3-sulphophenyl)amino)-1,3,5-triazin-2-yl)amino)benzene-1,4-disulphonic acid
RN: 85508-11-8
InChIKey: OXXDFQVBEVNRJM-QNEJGDQOSA-N

Molecular Formula

  • C24-H23-F-N8-O14-S4

Molecular Weight

  • 794.7497
 
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Names and Synonyms

Synonym

  • EINECS 287-435-1

Systematic Name

  • 2-((1-Ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-5-(sulphomethyl)-3-pyridyl)azo)-5-((4-fluoro-6-((3-sulphophenyl)amino)-1,3,5-triazin-2-yl)amino)benzene-1,4-disulphonic acid

Registry Numbers

CAS Registry Number

  • 85508-11-8

System Generated Number

  • 0085508118

Structure Descriptors

InChI

1S/C24H23FN8O14S4/c1-3-33-20(34)14(10-48(36,37)38)11(2)19(21(33)35)32-31-16-9-17(50(42,43)44)15(8-18(16)51(45,46)47)27-24-29-22(25)28-23(30-24)26-12-5-4-6-13(7-12)49(39,40)41/h4-9,35H,3,10H2,1-2H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H2,26,27,28,29,30)/b32-31+

InChIKey

OXXDFQVBEVNRJM-QNEJGDQOSA-N

Smiles

c1(c(=O)n(c(c(c1C)/N=N/c1c(S(=O)(=O)O)cc(c(S(=O)(=O)O)c1)Nc1nc(nc(n1)F)Nc1cc(S(=O)(=O)O)ccc1)O)CC)CS(=O)(=O)O