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

Systemtic Name: [2-(2,4-dimethylphenyl)-5-propyl-pyrazol-3-yl] 2,4,6-trimethylbenzenesulfonate Openeye Name: [2-(2,4-dimethylphenyl)-5-propyl-pyrazol-3-yl] 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid [2-(2,4-dimethylphenyl)-5-propyl-3-pyrazolyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-5-propylpyrazol-3-yl] 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid [2-(2,4-dimethylphenyl)-5-propyl-pyrazol-3-yl] ester Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)OS(=O)(=O)C2=C(C=C(C=C2C)C)C)C3=C(C=C(C=C3)C)C

Isomeric SMILES

CCCC1=NN(C(=C1)OS(=O)(=O)C2=C(C=C(C=C2C)C)C)C3=C(C=C(C=C3)C)C

InChI

InChI=1S/C23H28N2O3S/c1-7-8-20-14-22(25(24-20)21-10-9-15(2)11-17(21)4)28-29(26,27)23-18(5)12-16(3)13-19(23)6/h9-14H,7-8H2,1-6H3