[(2R)-2-oxidanyl-2-[4-(trifluoromethyl)phenyl]ethyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R)-2-oxidanyl-2-[4-(trifluoromethyl)phenyl]ethyl] 4-methylbenzenesulfonate Openeye Name: [(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl] ester IUPAC Name: [(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl] ester Formula: C16H15F3O4S MolecularWeight: 360.34811

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15F3O4S/c1-11-2-8-14(9-3-11)24(21,22)23-10-15(20)12-4-6-13(7-5-12)16(17,18)19/h2-9,15,20H,10H2,1H3/t15-/m0/s1