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

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ChEBI Name 4-methylbenzenesulfonic acid [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] ester ChEBI ID CHEBI:107365 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C24H26N4O6S Net Charge 0 Average Mass 498.553 Monoisotopic Mass 498.15731 InChI InChI=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) InChIKey QCDJENTUMCYGBV-UHFFFAOYSA-N SMILES CCOC1=C(C=CC(=C1)C(C2=C(NNC2=O)C)C3=C(NNC3=O)C)OS(=O)(=O)C4=CC=C(C=C4)C ChEBI Ontology Outgoing 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 Xref Database LSM-18719 LINCS View more database links