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

Systemtic Name: [4-(2,4-dichlorophenyl)carbonyl-2,5-dimethyl-pyrazol-3-yl]methanesulfonic acid Openeye Name: [4-(2,4-dichlorobenzoyl)-2,5-dimethyl-pyrazol-3-yl]methanesulfonic acid CAS Name: [4-[(2,4-dichlorophenyl)-oxomethyl]-2,5-dimethyl-3-pyrazolyl]methanesulfonic acid IUPAC Name: [4-(2,4-dichlorobenzoyl)-2,5-dimethylpyrazol-3-yl]methanesulfonic acid Traditional Name: [4-(2,4-dichlorobenzoyl)-2,5-dimethyl-pyrazol-3-yl]methanesulfonic acid Formula: C13H12Cl2N2O4S MolecularWeight: 363.21638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)C2=C(C=C(C=C2)Cl)Cl)CS(=O)(=O)O)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)C2=C(C=C(C=C2)Cl)Cl)CS(=O)(=O)O)C

InChI

InChI=1S/C13H12Cl2N2O4S/c1-7-12(11(17(2)16-7)6-22(19,20)21)13(18)9-4-3-8(14)5-10(9)15/h3-5H,6H2,1-2H3,(H,19,20,21)