[1-(2-chlorophenyl)isoquinolin-3-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [1-(2-chlorophenyl)isoquinolin-3-yl] tris(fluoranyl)methanesulfonate Openeye Name: [1-(2-chlorophenyl)-3-isoquinolyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [1-(2-chlorophenyl)-3-isoquinolinyl] ester IUPAC Name: [1-(2-chlorophenyl)isoquinolin-3-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [1-(2-chlorophenyl)-3-isoquinolyl] ester Formula: C16H9ClF3NO3S MolecularWeight: 387.76077

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N=C2C3=CC=CC=C3Cl)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N=C2C3=CC=CC=C3Cl)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C16H9ClF3NO3S/c17-13-8-4-3-7-12(13)15-11-6-2-1-5-10(11)9-14(21-15)24-25(22,23)16(18,19)20/h1-9H