Molecule ID: 24755550

IUPAC Name: (2-phenoxyquinolin-6-yl) trifluoromethanesulfonate

Description: The molecule is a member of the class of quinolines that is 2,6-dihydroxyquinoline in which the hydroxy group at position 2 has been converted to the corresponding phenyl ether while that at position 6 has been converted to the corresponding triflate ester. It is a member of quinolines and a triflate ester. It contains a triflate group.

SMILES: O=S(=O)(Oc1ccc2nc(Oc3ccccc3)ccc2c1)C(F)(F)F

SELFIES: [O][=S][=Branch1][C][=O][Branch2][Ring1][O][O][C][=C][C][=C][N][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][=N][=C][Ring1][P][C][Branch1][C][F][Branch1][C][F][F]

InChI: InChI=1S/C16H10F3NO4S/c17-16(18,19)25(21,22)24-13-7-8-14-11(10-13)6-9-15(20-14)23-12-4-2-1-3-5-12/h1-10H

Molecular Properties:
- Polar Surface Area: 73.9 Ų
- LogP: 4.8