[2-(4-tert-butylphenyl)pyridin-4-yl] 4,4,4-tris(fluoranyl)butane-1-sulfonate

Systemtic Name: [2-(4-tert-butylphenyl)pyridin-4-yl] 4,4,4-tris(fluoranyl)butane-1-sulfonate Openeye Name: [2-(4-tert-butylphenyl)-4-pyridyl] 4,4,4-trifluorobutane-1-sulfonate CAS Name: 4,4,4-trifluoro-1-butanesulfonic acid IUPAC Name: [2-(4-tert-butylphenyl)pyridin-4-yl] 4,4,4-trifluorobutane-1-sulfonate Traditional Name: 4,4,4-trifluorobutane-1-sulfonic acid [2-(4-tert-butylphenyl)-4-pyridyl] ester Formula: C19H22F3NO3S MolecularWeight: 401.44309

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC=CC(=C2)OS(=O)(=O)CCCC(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC=CC(=C2)OS(=O)(=O)CCCC(F)(F)F

InChI

InChI=1S/C19H22F3NO3S/c1-18(2,3)15-7-5-14(6-8-15)17-13-16(9-11-23-17)26-27(24,25)12-4-10-19(20,21)22/h5-9,11,13H,4,10,12H2,1-3H3