[5-tert-butyl-2-(3-chlorophenyl)pyrazol-3-yl] 4-chloranyl-3-nitro-benzenesulfonate

Systemtic Name: [5-tert-butyl-2-(3-chlorophenyl)pyrazol-3-yl] 4-chloranyl-3-nitro-benzenesulfonate Openeye Name: [5-tert-butyl-2-(3-chlorophenyl)pyrazol-3-yl] 4-chloro-3-nitro-benzenesulfonate CAS Name: 4-chloro-3-nitrobenzenesulfonic acid [5-tert-butyl-2-(3-chlorophenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(3-chlorophenyl)pyrazol-3-yl] 4-chloro-3-nitrobenzenesulfonate Traditional Name: 4-chloro-3-nitro-benzenesulfonic acid [5-tert-butyl-2-(3-chlorophenyl)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)Cl)[N+](=O)[O-])C3=CC(=CC=C3)Cl

Isomeric SMILES

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

InChI

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