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CHEBI:122094 - benzenesulfonic acid [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxyphenyl] ester

ChEBI IDCHEBI:122094
ChEBI Namebenzenesulfonic acid [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxyphenyl] ester
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DownloadsMolfile
FormulaC22H22N4O6S
Net Charge0
Average Mass470.507
Monoisotopic Mass470.12601
SMILESCOc1cc(C(c2c(C)nnc2=O)c2c(C)nnc2=O)ccc1OS(=O)(=O)c1ccccc1
InChIInChI=1S/C22H22N4O6S/c1-12-18(21(27)25-23-12)20(19-13(2)24-26-22(19)28)14-9-10-16(17(11-14)31-3)32-33(29,30)15-7-5-4-6-8-15/h4-11,20H,1-3H3,(H2,23,25,27)(H2,24,26,28)
InChIKeySCHQSZIZNBCSEJ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
benzenesulfonic acid [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxyphenyl] ester (CHEBI:122094) is a benzenesulfonate ester (CHEBI:83352)
Manual XrefsDatabases
LSM-33537LINCS