[3-(1-benzofuran-7-yl)phenyl] 4,4,4-tris(fluoranyl)butane-1-sulfonate

Systemtic Name: [3-(1-benzofuran-7-yl)phenyl] 4,4,4-tris(fluoranyl)butane-1-sulfonate Openeye Name: [3-(benzofuran-7-yl)phenyl] 4,4,4-trifluorobutane-1-sulfonate CAS Name: 4,4,4-trifluoro-1-butanesulfonic acid IUPAC Name: [3-(1-benzofuran-7-yl)phenyl] 4,4,4-trifluorobutane-1-sulfonate Traditional Name: 4,4,4-trifluorobutane-1-sulfonic acid [3-(benzofuran-7-yl)phenyl] ester Formula: C18H15F3O4S MolecularWeight: 384.36951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)C3=CC(=CC=C3)OS(=O)(=O)CCCC(F)(F)F)OC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)C3=CC(=CC=C3)OS(=O)(=O)CCCC(F)(F)F)OC=C2

InChI

InChI=1S/C18H15F3O4S/c19-18(20,21)9-3-11-26(22,23)25-15-6-1-5-14(12-15)16-7-2-4-13-8-10-24-17(13)16/h1-2,4-8,10,12H,3,9,11H2