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

Systemtic Name: [2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl] 4-chloranyl-3-nitro-benzenesulfonate Openeye Name: [2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl] 4-chloro-3-nitro-benzenesulfonate CAS Name: 4-chloro-3-nitrobenzenesulfonic acid [2-(2-chlorophenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(2-chlorophenyl)-5-phenylpyrazol-3-yl] 4-chloro-3-nitrobenzenesulfonate Traditional Name: 4-chloro-3-nitro-benzenesulfonic acid [2-(2-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=CC=C4Cl

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=CC=C4Cl

InChI

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