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

Systemtic Name: [2-(4-chlorophenyl)-5-phenyl-pyrazol-3-yl] 4-chloranyl-3-nitro-benzenesulfonate Openeye Name: [2-(4-chlorophenyl)-5-phenyl-pyrazol-3-yl] 4-chloro-3-nitro-benzenesulfonate CAS Name: 4-chloro-3-nitrobenzenesulfonic acid [2-(4-chlorophenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(4-chlorophenyl)-5-phenylpyrazol-3-yl] 4-chloro-3-nitrobenzenesulfonate Traditional Name: 4-chloro-3-nitro-benzenesulfonic acid [2-(4-chlorophenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C21H13Cl2N3O5S MolecularWeight: 490.31602

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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)Cl

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)Cl

InChI

InChI=1S/C21H13Cl2N3O5S/c22-15-6-8-16(9-7-15)25-21(13-19(24-25)14-4-2-1-3-5-14)31-32(29,30)17-10-11-18(23)20(12-17)26(27)28/h1-13H