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

Systemtic Name: [2-phenyl-5-(trifluoromethyl)pyrazol-3-yl] (E)-2-phenylethenesulfonate Openeye Name: [2-phenyl-5-(trifluoromethyl)pyrazol-3-yl] (E)-2-phenylethenesulfonate CAS Name: (E)-2-phenylethenesulfonic acid [2-phenyl-5-(trifluoromethyl)-3-pyrazolyl] ester IUPAC Name: [2-phenyl-5-(trifluoromethyl)pyrazol-3-yl] (E)-2-phenylethenesulfonate Traditional Name: (E)-2-phenylethenesulfonic acid [2-phenyl-5-(trifluoromethyl)pyrazol-3-yl] ester Formula: C18H13F3N2O3S MolecularWeight: 394.36763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CS(=O)(=O)OC2=CC(=NN2C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)/C=C/S(=O)(=O)OC2=CC(=NN2C3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C18H13F3N2O3S/c19-18(20,21)16-13-17(23(22-16)15-9-5-2-6-10-15)26-27(24,25)12-11-14-7-3-1-4-8-14/h1-13H/b12-11+