(4-fluoranyl-2-phenanthren-1-yl-phenyl) tris(fluoranyl)methanesulfonate

Systemtic Name: (4-fluoranyl-2-phenanthren-1-yl-phenyl) tris(fluoranyl)methanesulfonate Openeye Name: [4-fluoro-2-(1-phenanthryl)phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [4-fluoro-2-(1-phenanthrenyl)phenyl] ester IUPAC Name: (4-fluoro-2-phenanthren-1-ylphenyl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-fluoro-2-(1-phenanthryl)phenyl] ester Formula: C21H12F4O3S MolecularWeight: 420.376793

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C=CC=C3C4=C(C=CC(=C4)F)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C=CC=C3C4=C(C=CC(=C4)F)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C21H12F4O3S/c22-14-9-11-20(28-29(26,27)21(23,24)25)19(12-14)17-7-3-6-16-15-5-2-1-4-13(15)8-10-18(16)17/h1-12H