[(3S)-4,4,4-tris(fluoranyl)-3-oxidanyl-butyl] 4-methylbenzenesulfonate

Systemtic Name: [(3S)-4,4,4-tris(fluoranyl)-3-oxidanyl-butyl] 4-methylbenzenesulfonate Openeye Name: [(3S)-4,4,4-trifluoro-3-hydroxy-butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3S)-4,4,4-trifluoro-3-hydroxybutyl] ester IUPAC Name: [(3S)-4,4,4-trifluoro-3-hydroxybutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3S)-4,4,4-trifluoro-3-hydroxy-butyl] ester Formula: C11H13F3O4S MolecularWeight: 298.27873

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C(F)(F)F)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC[C@@H](C(F)(F)F)O

InChI

InChI=1S/C11H13F3O4S/c1-8-2-4-9(5-3-8)19(16,17)18-7-6-10(15)11(12,13)14/h2-5,10,15H,6-7H2,1H3/t10-/m0/s1