(3-fluoranyl-2-phenanthren-9-yl-phenyl) tris(fluoranyl)methanesulfonate

Systemtic Name: (3-fluoranyl-2-phenanthren-9-yl-phenyl) tris(fluoranyl)methanesulfonate Openeye Name: [3-fluoro-2-(9-phenanthryl)phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [3-fluoro-2-(9-phenanthrenyl)phenyl] ester IUPAC Name: (3-fluoro-2-phenanthren-9-ylphenyl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [3-fluoro-2-(9-phenanthryl)phenyl] ester Formula: C21H12F4O3S MolecularWeight: 420.376793

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)C4=C(C=CC=C4F)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)C4=C(C=CC=C4F)OS(=O)(=O)C(F)(F)F

InChI

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