[3-(3-ethanoylphenyl)phenyl] 4,4,4-tris(fluoranyl)butane-1-sulfonate

Systemtic Name: [3-(3-ethanoylphenyl)phenyl] 4,4,4-tris(fluoranyl)butane-1-sulfonate Openeye Name: [3-(3-acetylphenyl)phenyl] 4,4,4-trifluorobutane-1-sulfonate CAS Name: 4,4,4-trifluoro-1-butanesulfonic acid IUPAC Name: [3-(3-acetylphenyl)phenyl] 4,4,4-trifluorobutane-1-sulfonate Traditional Name: 4,4,4-trifluorobutane-1-sulfonic acid [3-(3-acetylphenyl)phenyl] ester Formula: C18H17F3O4S MolecularWeight: 386.38539

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC(=C1)C2=CC(=CC=C2)OS(=O)(=O)CCCC(F)(F)F

Isomeric SMILES

CC(=O)C1=CC=CC(=C1)C2=CC(=CC=C2)OS(=O)(=O)CCCC(F)(F)F

InChI

InChI=1S/C18H17F3O4S/c1-13(22)14-5-2-6-15(11-14)16-7-3-8-17(12-16)25-26(23,24)10-4-9-18(19,20)21/h2-3,5-8,11-12H,4,9-10H2,1H3