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

Systemtic Name: [5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl] 4-nitrobenzenesulfonate Openeye Name: [5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [5-tert-butyl-2-(3,4-dichlorophenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl] ester Formula: C19H17Cl2N3O5S MolecularWeight: 470.32638

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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)[N+](=O)[O-])C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H17Cl2N3O5S/c1-19(2,3)17-11-18(23(22-17)13-6-9-15(20)16(21)10-13)29-30(27,28)14-7-4-12(5-8-14)24(25)26/h4-11H,1-3H3