[(Z)-1-bromanyl-3,3,3-tris(fluoranyl)-1-phenyl-prop-1-en-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [(Z)-1-bromanyl-3,3,3-tris(fluoranyl)-1-phenyl-prop-1-en-2-yl] 4-methylbenzenesulfonate Openeye Name: [(Z)-2-bromo-2-phenyl-1-(trifluoromethyl)vinyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-1-bromo-3,3,3-trifluoro-1-phenylprop-1-en-2-yl] ester IUPAC Name: [(Z)-1-bromo-3,3,3-trifluoro-1-phenylprop-1-en-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-2-bromo-2-phenyl-1-(trifluoromethyl)vinyl] ester Formula: C16H12BrF3O3S MolecularWeight: 421.22889

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrF3O3S/c1-11-7-9-13(10-8-11)24(21,22)23-15(16(18,19)20)14(17)12-5-3-2-4-6-12/h2-10H,1H3/b15-14-