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

Systemtic Name: pyridin-4-yl 2-(4-tert-butylphenyl)-4,4,4-tris(fluoranyl)butane-1-sulfonate Openeye Name: 4-pyridyl 2-(4-tert-butylphenyl)-4,4,4-trifluoro-butane-1-sulfonate CAS Name: 2-(4-tert-butylphenyl)-4,4,4-trifluoro-1-butanesulfonic acid IUPAC Name: pyridin-4-yl 2-(4-tert-butylphenyl)-4,4,4-trifluorobutane-1-sulfonate Traditional Name: 2-(4-tert-butylphenyl)-4,4,4-trifluoro-butane-1-sulfonic acid 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)C(CC(F)(F)F)CS(=O)(=O)OC2=CC=NC=C2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(CC(F)(F)F)CS(=O)(=O)OC2=CC=NC=C2

InChI

InChI=1S/C19H22F3NO3S/c1-18(2,3)16-6-4-14(5-7-16)15(12-19(20,21)22)13-27(24,25)26-17-8-10-23-11-9-17/h4-11,15H,12-13H2,1-3H3