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

Systemtic Name: [2-(2,3-dimethylphenyl)-5-phenyl-pyrazol-3-yl] 4-chloranyl-3-nitro-benzenesulfonate Openeye Name: [2-(2,3-dimethylphenyl)-5-phenyl-pyrazol-3-yl] 4-chloro-3-nitro-benzenesulfonate CAS Name: 4-chloro-3-nitrobenzenesulfonic acid [2-(2,3-dimethylphenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(2,3-dimethylphenyl)-5-phenylpyrazol-3-yl] 4-chloro-3-nitrobenzenesulfonate Traditional Name: 4-chloro-3-nitro-benzenesulfonic acid [2-(2,3-dimethylphenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C23H18ClN3O5S MolecularWeight: 483.92412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=CC(=N2)C3=CC=CC=C3)OS(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=CC(=N2)C3=CC=CC=C3)OS(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C23H18ClN3O5S/c1-15-7-6-10-21(16(15)2)26-23(14-20(25-26)17-8-4-3-5-9-17)32-33(30,31)18-11-12-19(24)22(13-18)27(28)29/h3-14H,1-2H3