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

Systemtic Name: [2-(2,3-dimethylphenyl)-5-phenyl-pyrazol-3-yl] 2,4,6-trimethylbenzenesulfonate Openeye Name: [2-(2,3-dimethylphenyl)-5-phenyl-pyrazol-3-yl] 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid [2-(2,3-dimethylphenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(2,3-dimethylphenyl)-5-phenylpyrazol-3-yl] 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid [2-(2,3-dimethylphenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C26H26N2O3S MolecularWeight: 446.56124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=CC(=N2)C3=CC=CC=C3)OS(=O)(=O)C4=C(C=C(C=C4C)C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=CC(=N2)C3=CC=CC=C3)OS(=O)(=O)C4=C(C=C(C=C4C)C)C)C

InChI

InChI=1S/C26H26N2O3S/c1-17-14-19(3)26(20(4)15-17)32(29,30)31-25-16-23(22-11-7-6-8-12-22)27-28(25)24-13-9-10-18(2)21(24)5/h6-16H,1-5H3