[(2S,3R)-3-fluoranyl-2-oxidanyl-3-phenyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,3R)-3-fluoranyl-2-oxidanyl-3-phenyl-propyl] 4-methylbenzenesulfonate Openeye Name: [(2S,3R)-3-fluoro-2-hydroxy-3-phenyl-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3R)-3-fluoro-2-hydroxy-3-phenylpropyl] ester IUPAC Name: [(2S,3R)-3-fluoro-2-hydroxy-3-phenylpropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,3R)-3-fluoro-2-hydroxy-3-phenyl-propyl] ester Formula: C16H17FO4S MolecularWeight: 324.367183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17FO4S/c1-12-7-9-14(10-8-12)22(19,20)21-11-15(18)16(17)13-5-3-2-4-6-13/h2-10,15-16,18H,11H2,1H3/t15-,16+/m0/s1