[2-phenyl-5-(trifluoromethyl)pyrazol-3-yl] benzenesulfonate

Systemtic Name: [2-phenyl-5-(trifluoromethyl)pyrazol-3-yl] benzenesulfonate Openeye Name: [2-phenyl-5-(trifluoromethyl)pyrazol-3-yl] benzenesulfonate CAS Name: benzenesulfonic acid [2-phenyl-5-(trifluoromethyl)-3-pyrazolyl] ester IUPAC Name: [2-phenyl-5-(trifluoromethyl)pyrazol-3-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-phenyl-5-(trifluoromethyl)pyrazol-3-yl] ester Formula: C16H11F3N2O3S MolecularWeight: 368.33035

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)OS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)OS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H11F3N2O3S/c17-16(18,19)14-11-15(21(20-14)12-7-3-1-4-8-12)24-25(22,23)13-9-5-2-6-10-13/h1-11H