[2-(4-chlorophenyl)-5-phenyl-pyrazol-3-yl] 2,4,6-trimethylbenzenesulfonate

Systemtic Name: [2-(4-chlorophenyl)-5-phenyl-pyrazol-3-yl] 2,4,6-trimethylbenzenesulfonate Openeye Name: [2-(4-chlorophenyl)-5-phenyl-pyrazol-3-yl] 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid [2-(4-chlorophenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(4-chlorophenyl)-5-phenylpyrazol-3-yl] 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid [2-(4-chlorophenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C24H21ClN2O3S MolecularWeight: 452.95314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=CC(=NN2C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=CC(=NN2C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C

InChI

InChI=1S/C24H21ClN2O3S/c1-16-13-17(2)24(18(3)14-16)31(28,29)30-23-15-22(19-7-5-4-6-8-19)26-27(23)21-11-9-20(25)10-12-21/h4-15H,1-3H3