[4-(3,4-dichlorophenyl)carbonyl-2,5-dimethyl-pyrazol-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [4-(3,4-dichlorophenyl)carbonyl-2,5-dimethyl-pyrazol-3-yl] 4-methylbenzenesulfonate Openeye Name: [4-(3,4-dichlorobenzoyl)-2,5-dimethyl-pyrazol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(3,4-dichlorophenyl)-oxomethyl]-2,5-dimethyl-3-pyrazolyl] ester IUPAC Name: [4-(3,4-dichlorobenzoyl)-2,5-dimethylpyrazol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(3,4-dichlorobenzoyl)-2,5-dimethyl-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)C(=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

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

InChI

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