[2-(4-fluorophenyl)-5-phenyl-pyrazol-3-yl] 4-chloranyl-3-nitro-benzenesulfonate

Systemtic Name: [2-(4-fluorophenyl)-5-phenyl-pyrazol-3-yl] 4-chloranyl-3-nitro-benzenesulfonate Openeye Name: [2-(4-fluorophenyl)-5-phenyl-pyrazol-3-yl] 4-chloro-3-nitro-benzenesulfonate CAS Name: 4-chloro-3-nitrobenzenesulfonic acid [2-(4-fluorophenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(4-fluorophenyl)-5-phenylpyrazol-3-yl] 4-chloro-3-nitrobenzenesulfonate Traditional Name: 4-chloro-3-nitro-benzenesulfonic acid [2-(4-fluorophenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C21H13ClFN3O5S MolecularWeight: 473.861423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=C2)OS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=C2)OS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C4=CC=C(C=C4)F

InChI

InChI=1S/C21H13ClFN3O5S/c22-18-11-10-17(12-20(18)26(27)28)32(29,30)31-21-13-19(14-4-2-1-3-5-14)24-25(21)16-8-6-15(23)7-9-16/h1-13H