[2-(4-nitrophenyl)-5-phenyl-pyrazol-3-yl] 2,4,6-trimethylbenzenesulfonate

Systemtic Name: [2-(4-nitrophenyl)-5-phenyl-pyrazol-3-yl] 2,4,6-trimethylbenzenesulfonate Openeye Name: [2-(4-nitrophenyl)-5-phenyl-pyrazol-3-yl] 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid [2-(4-nitrophenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(4-nitrophenyl)-5-phenylpyrazol-3-yl] 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid [2-(4-nitrophenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C24H21N3O5S MolecularWeight: 463.50564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=CC(=NN2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=CC(=NN2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C

InChI

InChI=1S/C24H21N3O5S/c1-16-13-17(2)24(18(3)14-16)33(30,31)32-23-15-22(19-7-5-4-6-8-19)25-26(23)20-9-11-21(12-10-20)27(28)29/h4-15H,1-3H3