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CHEBI:114573 - 4-methylbenzenesulfonic acid [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxyphenyl] ester

ChEBI IDCHEBI:114573
ChEBI Name4-methylbenzenesulfonic acid [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxyphenyl] ester
Stars
DownloadsMolfile
FormulaC23H24N4O6S
Net Charge0
Average Mass484.534
Monoisotopic Mass484.14166
SMILESCOc1cc(C(c2c(C)nnc2=O)c2c(C)nnc2=O)ccc1OS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H24N4O6S/c1-12-5-8-16(9-6-12)34(30,31)33-17-10-7-15(11-18(17)32-4)21(19-13(2)24-26-22(19)28)20-14(3)25-27-23(20)29/h5-11,21H,1-4H3,(H2,24,26,28)(H2,25,27,29)
InChIKeyKEURXGXXXHDSIW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-methylbenzenesulfonic acid [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxyphenyl] ester (CHEBI:114573) is a benzenesulfonate ester (CHEBI:83352)
Manual XrefsDatabases
LSM-26034LINCS