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CHEBI:90288 - Milling yellow 3G (free acid)

ChEBI IDCHEBI:90288
ChEBI NameMilling yellow 3G (free acid)
Stars
DefinitionAn arenesulfonic acid that is 5-chloro-2-(pyrazol-1-yl)benzene-1-sulfonic acid in which the pyrazole ring is substituted by methyl, 4-(tosyloxy)phenyldiazenyl and hydroxy groups at positions 3, 4, and 5 respctively. The monosodium salt is the biological stain 'Milling yellow 3G'.
Last Modified10 November 2015
SubmitterSteve
DownloadsMolfile
FormulaC23H19ClN4O7S2
Net Charge0
Average Mass563.013
Monoisotopic Mass562.03837
SMILESCc1ccc(S(=O)(=O)Oc2ccc(N=Nc3c(C)nn(-c4ccc(Cl)cc4S(=O)(=O)O)c3O)cc2)cc1
InChIInChI=1S/C23H19ClN4O7S2/c1-14-3-10-19(11-4-14)37(33,34)35-18-8-6-17(7-9-18)25-26-22-15(2)27-28(23(22)29)20-12-5-16(24)13-21(20)36(30,31)32/h3-13,29H,1-2H3,(H,30,31,32)
InChIKeySZBYBGROZVFLQB-UHFFFAOYSA-N
Roles Classification
Application:
histological dye  A dye used in microscopic or electron microscopic examination of cells and tissues to give contrast and to highlight particular features of interest, such as nuclei and cytoplasm.
ChEBI Ontology
Outgoing Relation(s)
Milling yellow 3G (free acid) (CHEBI:90288) has role histological dye (CHEBI:77178)
Milling yellow 3G (free acid) (CHEBI:90288) is a arenesulfonic acid (CHEBI:33555)
Milling yellow 3G (free acid) (CHEBI:90288) is a azobenzenes (CHEBI:22682)
Milling yellow 3G (free acid) (CHEBI:90288) is a heteroaryl hydroxy compound (CHEBI:74818)
Milling yellow 3G (free acid) (CHEBI:90288) is a monochlorobenzenes (CHEBI:83403)
Milling yellow 3G (free acid) (CHEBI:90288) is a pyrazoles (CHEBI:26410)
Milling yellow 3G (free acid) (CHEBI:90288) is a tosylate ester (CHEBI:83351)
Milling yellow 3G (free acid) (CHEBI:90288) is conjugate acid of Milling yellow 3G(1−) (CHEBI:90289)
Incoming Relation(s)
Milling yellow 3G(1−) (CHEBI:90289) is conjugate base of Milling yellow 3G (free acid) (CHEBI:90288)
IUPAC Name 
5-chloro-2-[5-hydroxy-3-methyl-4-({4-[(4-methylbenzene-1-sulfonyl)oxy]phenyl}diazenyl)-1H-pyrazol-1-yl]benzene-1-sulfonic acid
Synonym  Source
Milling yellow 3G acid formChEBI
Registry NumbersSources
Reaxys:968809Reaxys