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

Systemtic Name: [5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl] 4-chloranylbenzenesulfonate Openeye Name: [5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [5-tert-butyl-2-(3,4-dichlorophenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl] ester Formula: C19H17Cl3N2O3S MolecularWeight: 459.77388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17Cl3N2O3S/c1-19(2,3)17-11-18(24(23-17)13-6-9-15(21)16(22)10-13)27-28(25,26)14-7-4-12(20)5-8-14/h4-11H,1-3H3