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

Systemtic Name: [5-tert-butyl-2-(3-chlorophenyl)pyrazol-3-yl] 4-chloranylbenzenesulfonate Openeye Name: [5-tert-butyl-2-(3-chlorophenyl)pyrazol-3-yl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [5-tert-butyl-2-(3-chlorophenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(3-chlorophenyl)pyrazol-3-yl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [5-tert-butyl-2-(3-chlorophenyl)pyrazol-3-yl] ester Formula: C19H18Cl2N2O3S MolecularWeight: 425.32882

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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(=CC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H18Cl2N2O3S/c1-19(2,3)17-12-18(23(22-17)15-6-4-5-14(21)11-15)26-27(24,25)16-9-7-13(20)8-10-16/h4-12H,1-3H3