(2-isoquinolin-5-yl-3-prop-1-ynyl-phenyl) tris(fluoranyl)methanesulfonate

Systemtic Name: (2-isoquinolin-5-yl-3-prop-1-ynyl-phenyl) tris(fluoranyl)methanesulfonate Openeye Name: [2-(5-isoquinolyl)-3-prop-1-ynyl-phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [2-(5-isoquinolinyl)-3-prop-1-ynylphenyl] ester IUPAC Name: (2-isoquinolin-5-yl-3-prop-1-ynylphenyl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [2-(5-isoquinolyl)-3-prop-1-ynyl-phenyl] ester Formula: C19H12F3NO3S MolecularWeight: 391.36369

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=C(C(=CC=C1)OS(=O)(=O)C(F)(F)F)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC#CC1=C(C(=CC=C1)OS(=O)(=O)C(F)(F)F)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C19H12F3NO3S/c1-2-5-13-6-4-9-17(26-27(24,25)19(20,21)22)18(13)16-8-3-7-14-12-23-11-10-15(14)16/h3-4,6-12H,1H3