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

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

Systemtic Name:(5-fluoranyl-2-phenanthren-9-yl-phenyl) tris(fluoranyl)methanesulfonate
Openeye Name:[5-fluoro-2-(9-phenanthryl)phenyl] trifluoromethanesulfonate
CAS Name:trifluoromethanesulfonic acid [5-fluoro-2-(9-phenanthrenyl)phenyl] ester
IUPAC Name:(5-fluoro-2-phenanthren-9-ylphenyl) trifluoromethanesulfonate
Traditional Name:trifluoromethanesulfonic acid [5-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=C(C=C4)F)OS(=O)(=O)C(F)(F)F


Isomeric SMILES

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


InChI

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


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