[2-(2,4-dimethylphenyl)-5-methyl-pyrazol-3-yl] 2,4,6-trimethylbenzenesulfonate

Systemtic Name: [2-(2,4-dimethylphenyl)-5-methyl-pyrazol-3-yl] 2,4,6-trimethylbenzenesulfonate Openeye Name: [2-(2,4-dimethylphenyl)-5-methyl-pyrazol-3-yl] 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid [2-(2,4-dimethylphenyl)-5-methyl-3-pyrazolyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-5-methylpyrazol-3-yl] 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid [2-(2,4-dimethylphenyl)-5-methyl-pyrazol-3-yl] ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=CC(=N2)C)OS(=O)(=O)C3=C(C=C(C=C3C)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC(=N2)C)OS(=O)(=O)C3=C(C=C(C=C3C)C)C)C

InChI

InChI=1S/C21H24N2O3S/c1-13-7-8-19(15(3)9-13)23-20(12-18(6)22-23)26-27(24,25)21-16(4)10-14(2)11-17(21)5/h7-12H,1-6H3