[3-(4-methylpyridin-2-yl)phenyl] 4,4,4-tris(fluoranyl)butane-1-sulfonate

Systemtic Name: [3-(4-methylpyridin-2-yl)phenyl] 4,4,4-tris(fluoranyl)butane-1-sulfonate Openeye Name: [3-(4-methyl-2-pyridyl)phenyl] 4,4,4-trifluorobutane-1-sulfonate CAS Name: 4,4,4-trifluoro-1-butanesulfonic acid IUPAC Name: [3-(4-methylpyridin-2-yl)phenyl] 4,4,4-trifluorobutane-1-sulfonate Traditional Name: 4,4,4-trifluorobutane-1-sulfonic acid [3-(4-methyl-2-pyridyl)phenyl] ester Formula: C16H16F3NO3S MolecularWeight: 359.36335

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)C2=CC(=CC=C2)OS(=O)(=O)CCCC(F)(F)F

Isomeric SMILES

CC1=CC(=NC=C1)C2=CC(=CC=C2)OS(=O)(=O)CCCC(F)(F)F

InChI

InChI=1S/C16H16F3NO3S/c1-12-6-8-20-15(10-12)13-4-2-5-14(11-13)23-24(21,22)9-3-7-16(17,18)19/h2,4-6,8,10-11H,3,7,9H2,1H3