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CHEBI:107365 - 4-methylbenzenesulfonic acid [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] ester

ChEBI IDCHEBI:107365
ChEBI Name4-methylbenzenesulfonic acid [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] ester
Stars
DownloadsMolfile
FormulaC24H26N4O6S
Net Charge0
Average Mass498.561
Monoisotopic Mass498.15731
SMILESCCOc1cc(C(c2c(C)nnc2=O)c2c(C)nnc2=O)ccc1OS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H26N4O6S/c1-5-33-19-12-16(8-11-18(19)34-35(31,32)17-9-6-13(2)7-10-17)22(20-14(3)25-27-23(20)29)21-15(4)26-28-24(21)30/h6-12,22H,5H2,1-4H3,(H2,25,27,29)(H2,26,28,30)
InChIKeyQCDJENTUMCYGBV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-methylbenzenesulfonic acid [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] ester (CHEBI:107365) is a benzenesulfonate ester (CHEBI:83352)
Manual XrefsDatabases
LSM-18719LINCS