[1,1-bis(bromanyl)-4-phenyl-but-1-en-3-yn-2-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [1,1-bis(bromanyl)-4-phenyl-but-1-en-3-yn-2-yl] tris(fluoranyl)methanesulfonate Openeye Name: [1-(dibromomethylene)-3-phenyl-prop-2-ynyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid (1,1-dibromo-4-phenylbut-1-en-3-yn-2-yl) ester IUPAC Name: (1,1-dibromo-4-phenylbut-1-en-3-yn-2-yl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [1-(dibromomethylene)-3-phenyl-prop-2-ynyl] ester Formula: C11H5Br2F3O3S MolecularWeight: 434.02381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC(=C(Br)Br)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C#CC(=C(Br)Br)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C11H5Br2F3O3S/c12-10(13)9(19-20(17,18)11(14,15)16)7-6-8-4-2-1-3-5-8/h1-5H