[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl] 4-methylbenzenesulfonate

Systemtic Name: [(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl] 4-methylbenzenesulfonate Openeye Name: [(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl] ester IUPAC Name: [(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl] ester Formula: C17H14F6O3S MolecularWeight: 412.346679

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H](C)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C17H14F6O3S/c1-10-3-5-15(6-4-10)27(24,25)26-11(2)12-7-13(16(18,19)20)9-14(8-12)17(21,22)23/h3-9,11H,1-2H3/t11-/m0/s1