[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] 4-tert-butylbenzenesulfonate

Systemtic Name: [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] 4-tert-butylbenzenesulfonate Openeye Name: [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic acid [5-tert-butyl-2-(4-nitrophenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] 4-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] ester Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NN2C3=CC=C(C=C3)[N+](=O)[O-])C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NN2C3=CC=C(C=C3)[N+](=O)[O-])C(C)(C)C

InChI

InChI=1S/C23H27N3O5S/c1-22(2,3)16-7-13-19(14-8-16)32(29,30)31-21-15-20(23(4,5)6)24-25(21)17-9-11-18(12-10-17)26(27)28/h7-15H,1-6H3