[(3R)-3-(4-fluorophenyl)butyl] 4-methylbenzenesulfonate

Systemtic Name: [(3R)-3-(4-fluorophenyl)butyl] 4-methylbenzenesulfonate Openeye Name: [(3R)-3-(4-fluorophenyl)butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3R)-3-(4-fluorophenyl)butyl] ester IUPAC Name: [(3R)-3-(4-fluorophenyl)butyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3R)-3-(4-fluorophenyl)butyl] ester Formula: C17H19FO3S MolecularWeight: 322.394363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19FO3S/c1-13-3-9-17(10-4-13)22(19,20)21-12-11-14(2)15-5-7-16(18)8-6-15/h3-10,14H,11-12H2,1-2H3/t14-/m1/s1