[5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl] 2-phenylethenesulfonate

Systemtic Name: [5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl] 2-phenylethenesulfonate Openeye Name: [5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl] 2-phenylethenesulfonate CAS Name: 2-phenylethenesulfonic acid [5-tert-butyl-2-(2,4-dimethylphenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl] 2-phenylethenesulfonate Traditional Name: 2-phenylethenesulfonic acid [5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl] ester Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=CC(=N2)C(C)(C)C)OS(=O)(=O)C=CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC(=N2)C(C)(C)C)OS(=O)(=O)C=CC3=CC=CC=C3)C

InChI

InChI=1S/C23H26N2O3S/c1-17-11-12-20(18(2)15-17)25-22(16-21(24-25)23(3,4)5)28-29(26,27)14-13-19-9-7-6-8-10-19/h6-16H,1-5H3