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

Systemtic Name: [5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl] (E)-2-phenylethenesulfonate Openeye Name: [5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl] (E)-2-phenylethenesulfonate CAS Name: (E)-2-phenylethenesulfonic acid [5-tert-butyl-2-(3,4-dichlorophenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl] (E)-2-phenylethenesulfonate Traditional Name: (E)-2-phenylethenesulfonic acid [5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl] ester Formula: C21H20Cl2N2O3S MolecularWeight: 451.3661

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)OS(=O)(=O)C=CC2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)OS(=O)(=O)/C=C/C2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H20Cl2N2O3S/c1-21(2,3)19-14-20(25(24-19)16-9-10-17(22)18(23)13-16)28-29(26,27)12-11-15-7-5-4-6-8-15/h4-14H,1-3H3/b12-11+