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

Systemtic Name: 3-[4-(2,4-dichlorophenyl)carbonyl-2,5-dimethyl-pyrazol-3-yl]-4-methyl-benzenesulfonate Openeye Name: 3-[4-(2,4-dichlorobenzoyl)-2,5-dimethyl-pyrazol-3-yl]-4-methyl-benzenesulfonate CAS Name: 3-[4-[(2,4-dichlorophenyl)-oxomethyl]-2,5-dimethyl-3-pyrazolyl]-4-methylbenzenesulfonate IUPAC Name: 3-[4-(2,4-dichlorobenzoyl)-2,5-dimethylpyrazol-3-yl]-4-methylbenzenesulfonate Traditional Name: 3-[4-(2,4-dichlorobenzoyl)-2,5-dimethyl-pyrazol-3-yl]-4-methyl-besylate Formula: C19H15Cl2N2O4S- MolecularWeight: 438.3044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)[O-])C2=C(C(=NN2C)C)C(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)[O-])C2=C(C(=NN2C)C)C(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

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