[2-(3,4-dichlorophenyl)-5-phenyl-pyrazol-3-yl] propane-2-sulfonate

Systemtic Name: [2-(3,4-dichlorophenyl)-5-phenyl-pyrazol-3-yl] propane-2-sulfonate Openeye Name: [2-(3,4-dichlorophenyl)-5-phenyl-pyrazol-3-yl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [2-(3,4-dichlorophenyl)-5-phenylpyrazol-3-yl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [2-(3,4-dichlorophenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C18H16Cl2N2O3S MolecularWeight: 411.30224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OC1=CC(=NN1C2=CC(=C(C=C2)Cl)Cl)C3=CC=CC=C3

Isomeric SMILES

CC(C)S(=O)(=O)OC1=CC(=NN1C2=CC(=C(C=C2)Cl)Cl)C3=CC=CC=C3

InChI

InChI=1S/C18H16Cl2N2O3S/c1-12(2)26(23,24)25-18-11-17(13-6-4-3-5-7-13)21-22(18)14-8-9-15(19)16(20)10-14/h3-12H,1-2H3