[(E)-1-phenyloct-3-en-1-yn-4-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [(E)-1-phenyloct-3-en-1-yn-4-yl] tris(fluoranyl)methanesulfonate Openeye Name: [(1E)-1-(3-phenylprop-2-ynylidene)pentyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [(E)-1-phenyloct-3-en-1-yn-4-yl] ester IUPAC Name: [(E)-1-phenyloct-3-en-1-yn-4-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [(E)-1-butyl-4-phenyl-but-1-en-3-ynyl] ester Formula: C15H15F3O3S MolecularWeight: 332.33801

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=CC#CC1=CC=CC=C1)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCCC/C(=C\C#CC1=CC=CC=C1)/OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C15H15F3O3S/c1-2-3-11-14(21-22(19,20)15(16,17)18)12-7-10-13-8-5-4-6-9-13/h4-6,8-9,12H,2-3,11H2,1H3/b14-12+