[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] 2,5-bis(chloranyl)benzenesulfonate

Systemtic Name: [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] 2,5-bis(chloranyl)benzenesulfonate Openeye Name: [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] 2,5-dichlorobenzenesulfonate CAS Name: 2,5-dichlorobenzenesulfonic acid [5-tert-butyl-2-(4-nitrophenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] 2,5-dichlorobenzenesulfonate Traditional Name: 2,5-dichlorobenzenesulfonic acid [5-tert-butyl-2-(4-nitrophenyl)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=C(C=CC(=C2)Cl)Cl)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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