(3-isoquinolin-5-ylphenyl) 4,4,4-tris(fluoranyl)butane-1-sulfonate

Systemtic Name: (3-isoquinolin-5-ylphenyl) 4,4,4-tris(fluoranyl)butane-1-sulfonate Openeye Name: [3-(5-isoquinolyl)phenyl] 4,4,4-trifluorobutane-1-sulfonate CAS Name: 4,4,4-trifluoro-1-butanesulfonic acid IUPAC Name: (3-isoquinolin-5-ylphenyl) 4,4,4-trifluorobutane-1-sulfonate Traditional Name: 4,4,4-trifluorobutane-1-sulfonic acid [3-(5-isoquinolyl)phenyl] ester Formula: C19H16F3NO3S MolecularWeight: 395.39545

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OS(=O)(=O)CCCC(F)(F)F)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

C1=CC(=CC(=C1)OS(=O)(=O)CCCC(F)(F)F)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C19H16F3NO3S/c20-19(21,22)9-3-11-27(24,25)26-16-6-1-4-14(12-16)17-7-2-5-15-13-23-10-8-18(15)17/h1-2,4-8,10,12-13H,3,9,11H2