[4-[2-(4-bromophenyl)ethynyl]phenyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [4-[2-(4-bromophenyl)ethynyl]phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [4-[2-(4-bromophenyl)ethynyl]phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [4-[2-(4-bromophenyl)ethynyl]phenyl] ester IUPAC Name: [4-[2-(4-bromophenyl)ethynyl]phenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-[2-(4-bromophenyl)ethynyl]phenyl] ester Formula: C15H8BrF3O3S MolecularWeight: 405.18643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CC2=CC=C(C=C2)Br)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C#CC2=CC=C(C=C2)Br)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C15H8BrF3O3S/c16-13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)22-23(20,21)15(17,18)19/h3-10H