[(E)-4,4,4-tris(fluoranyl)-3-(3-methoxyphenyl)but-2-enyl] methanesulfonate

Systemtic Name: [(E)-4,4,4-tris(fluoranyl)-3-(3-methoxyphenyl)but-2-enyl] methanesulfonate Openeye Name: [(E)-4,4,4-trifluoro-3-(3-methoxyphenyl)but-2-enyl] methanesulfonate CAS Name: methanesulfonic acid [(E)-4,4,4-trifluoro-3-(3-methoxyphenyl)but-2-enyl] ester IUPAC Name: [(E)-4,4,4-trifluoro-3-(3-methoxyphenyl)but-2-enyl] methanesulfonate Traditional Name: methanesulfonic acid [(E)-4,4,4-trifluoro-3-(3-methoxyphenyl)but-2-enyl] ester Formula: C12H13F3O4S MolecularWeight: 310.28943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=CCOS(=O)(=O)C)C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)/C(=C\COS(=O)(=O)C)/C(F)(F)F

InChI

InChI=1S/C12H13F3O4S/c1-18-10-5-3-4-9(8-10)11(12(13,14)15)6-7-19-20(2,16)17/h3-6,8H,7H2,1-2H3/b11-6+