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CHEBI:121973 - benzenesulfonic acid [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] ester

ChEBI IDCHEBI:121973
ChEBI Namebenzenesulfonic acid [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] ester
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DownloadsMolfile
FormulaC23H24N4O6S
Net Charge0
Average Mass484.534
Monoisotopic Mass484.14166
SMILESCCOc1cc(C(c2c(C)nnc2=O)c2c(C)nnc2=O)ccc1OS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H24N4O6S/c1-4-32-18-12-15(10-11-17(18)33-34(30,31)16-8-6-5-7-9-16)21(19-13(2)24-26-22(19)28)20-14(3)25-27-23(20)29/h5-12,21H,4H2,1-3H3,(H2,24,26,28)(H2,25,27,29)
InChIKeyLFVIVRYHSVBVAI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
benzenesulfonic acid [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] ester (CHEBI:121973) is a benzenesulfonate ester (CHEBI:83352)
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LSM-33416LINCS