[(Z)-2,3,3-tris(fluoranyl)-1-pyridin-2-yl-prop-1-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(Z)-2,3,3-tris(fluoranyl)-1-pyridin-2-yl-prop-1-enyl] 4-methylbenzenesulfonate Openeye Name: [(Z)-2,3,3-trifluoro-1-(2-pyridyl)prop-1-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-2,3,3-trifluoro-1-(2-pyridinyl)prop-1-enyl] ester IUPAC Name: [(Z)-2,3,3-trifluoro-1-pyridin-2-ylprop-1-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-2,3,3-trifluoro-1-(2-pyridyl)prop-1-enyl] ester Formula: C15H12F3NO3S MolecularWeight: 343.32089

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(=C(C(F)F)F)C2=CC=CC=N2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/C(=C(/C(F)F)\F)/C2=CC=CC=N2

InChI

InChI=1S/C15H12F3NO3S/c1-10-5-7-11(8-6-10)23(20,21)22-14(13(16)15(17)18)12-4-2-3-9-19-12/h2-9,15H,1H3/b14-13-