(3-quinolin-8-ylphenyl) 4,4,4-tris(fluoranyl)butane-1-sulfonate

Systemtic Name: (3-quinolin-8-ylphenyl) 4,4,4-tris(fluoranyl)butane-1-sulfonate Openeye Name: [3-(8-quinolyl)phenyl] 4,4,4-trifluorobutane-1-sulfonate CAS Name: 4,4,4-trifluoro-1-butanesulfonic acid IUPAC Name: (3-quinolin-8-ylphenyl) 4,4,4-trifluorobutane-1-sulfonate Traditional Name: 4,4,4-trifluorobutane-1-sulfonic acid [3-(8-quinolyl)phenyl] ester Formula: C19H16F3NO3S MolecularWeight: 395.39545

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)C3=CC(=CC=C3)OS(=O)(=O)CCCC(F)(F)F)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)C3=CC(=CC=C3)OS(=O)(=O)CCCC(F)(F)F)N=CC=C2

InChI

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