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CHEBI:90289 - Milling yellow 3G(1−)

ChEBI IDCHEBI:90289
ChEBI NameMilling yellow 3G(1−)
Stars
ASCII NameMilling yellow 3G(1-)
DefinitionAn organosulfonate oxoanion that is conjugate base of Milling yellow 3G (free acid), resulting from the deprotonation of the sulfo group; Major species at pH 7.3.
Last Modified18 March 2025
SubmitterSteve
DownloadsMolfile
FormulaC23H18ClN4O7S2
Net Charge-1
Average Mass562.005
Monoisotopic Mass561.03109
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)/p-1
InChIKeySZBYBGROZVFLQB-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
Milling yellow 3G(1−) (CHEBI:90289) is a organosulfonate oxoanion (CHEBI:33554)
Milling yellow 3G(1−) (CHEBI:90289) is conjugate base of Milling yellow 3G (free acid) (CHEBI:90288)
Incoming Relation(s)
Milling yellow 3G (CHEBI:90287) has part Milling yellow 3G(1−) (CHEBI:90289)
Milling yellow 3G (free acid) (CHEBI:90288) is conjugate acid of Milling yellow 3G(1−) (CHEBI:90289)
IUPAC Name 
5-chloro-2-[5-hydroxy-3-methyl-4-({4-[(4-methylbenzene-1-sulfonyl)oxy]phenyl}diazenyl)-1H-pyrazol-1-yl]benzene-1-sulfonate
Synonym  Source
Milling yellow 3G anionChEBI