[3-[4-(4-fluorophenyl)phenyl]-3-oxidanyl-butyl] benzenesulfonate

Systemtic Name: [3-[4-(4-fluorophenyl)phenyl]-3-oxidanyl-butyl] benzenesulfonate Openeye Name: [3-[4-(4-fluorophenyl)phenyl]-3-hydroxy-butyl] benzenesulfonate CAS Name: benzenesulfonic acid [3-[4-(4-fluorophenyl)phenyl]-3-hydroxybutyl] ester IUPAC Name: [3-[4-(4-fluorophenyl)phenyl]-3-hydroxybutyl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-[4-(4-fluorophenyl)phenyl]-3-hydroxy-butyl] ester Formula: C22H21FO4S MolecularWeight: 400.463143

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOS(=O)(=O)C1=CC=CC=C1)(C2=CC=C(C=C2)C3=CC=C(C=C3)F)O

Isomeric SMILES

CC(CCOS(=O)(=O)C1=CC=CC=C1)(C2=CC=C(C=C2)C3=CC=C(C=C3)F)O

InChI

InChI=1S/C22H21FO4S/c1-22(24,15-16-27-28(25,26)21-5-3-2-4-6-21)19-11-7-17(8-12-19)18-9-13-20(23)14-10-18/h2-14,24H,15-16H2,1H3