isoquinolin-6-yl 1,2,2-tris(fluoranyl)ethanesulfonate

Systemtic Name: isoquinolin-6-yl 1,2,2-tris(fluoranyl)ethanesulfonate Openeye Name: 6-isoquinolyl 1,2,2-trifluoroethanesulfonate CAS Name: 1,2,2-trifluoroethanesulfonic acid 6-isoquinolinyl ester IUPAC Name: isoquinolin-6-yl 1,2,2-trifluoroethanesulfonate Traditional Name: 1,2,2-trifluoroethanesulfonic acid 6-isoquinolyl ester Formula: C11H8F3NO3S MolecularWeight: 291.24633

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C=C1OS(=O)(=O)C(C(F)F)F

Isomeric SMILES

C1=CC2=C(C=CN=C2)C=C1OS(=O)(=O)C(C(F)F)F

InChI

InChI=1S/C11H8F3NO3S/c12-10(13)11(14)19(16,17)18-9-2-1-8-6-15-4-3-7(8)5-9/h1-6,10-11H