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

Systemtic Name: 2-[4-[2,4-bis(chloranyl)-3-methyl-phenyl]carbonyl-2,5-dimethyl-pyrazol-3-yl]-4-methyl-benzenesulfonate Openeye Name: 2-[4-(2,4-dichloro-3-methyl-benzoyl)-2,5-dimethyl-pyrazol-3-yl]-4-methyl-benzenesulfonate CAS Name: 2-[4-[(2,4-dichloro-3-methylphenyl)-oxomethyl]-2,5-dimethyl-3-pyrazolyl]-4-methylbenzenesulfonate IUPAC Name: 2-[4-(2,4-dichloro-3-methylbenzoyl)-2,5-dimethylpyrazol-3-yl]-4-methylbenzenesulfonate Traditional Name: 2-[4-(2,4-dichloro-3-methyl-benzoyl)-2,5-dimethyl-pyrazol-3-yl]-4-methyl-besylate Formula: C20H17Cl2N2O4S- MolecularWeight: 452.33098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18Cl2N2O4S/c1-10-5-8-16(29(26,27)28)14(9-10)19-17(12(3)23-24(19)4)20(25)13-6-7-15(21)11(2)18(13)22/h5-9H,1-4H3,(H,26,27,28)/p-1