[4-[2,4-bis(chloranyl)-3-methyl-phenyl]carbonyl-2-methyl-pyrazol-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [4-[2,4-bis(chloranyl)-3-methyl-phenyl]carbonyl-2-methyl-pyrazol-3-yl] 4-methylbenzenesulfonate Openeye Name: [4-(2,4-dichloro-3-methyl-benzoyl)-2-methyl-pyrazol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(2,4-dichloro-3-methylphenyl)-oxomethyl]-2-methyl-3-pyrazolyl] ester IUPAC Name: [4-(2,4-dichloro-3-methylbenzoyl)-2-methylpyrazol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(2,4-dichloro-3-methyl-benzoyl)-2-methyl-pyrazol-3-yl] ester Formula: C19H16Cl2N2O4S MolecularWeight: 439.31234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=NN2C)C(=O)C3=C(C(=C(C=C3)Cl)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=NN2C)C(=O)C3=C(C(=C(C=C3)Cl)C)Cl

InChI

InChI=1S/C19H16Cl2N2O4S/c1-11-4-6-13(7-5-11)28(25,26)27-19-15(10-22-23(19)3)18(24)14-8-9-16(20)12(2)17(14)21/h4-10H,1-3H3