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

Systemtic Name: [3-[4-(4-fluorophenyl)phenyl]-3-oxidanyl-butyl] 4-methylbenzenesulfonate Openeye Name: [3-[4-(4-fluorophenyl)phenyl]-3-hydroxy-butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[4-(4-fluorophenyl)phenyl]-3-hydroxybutyl] ester IUPAC Name: [3-[4-(4-fluorophenyl)phenyl]-3-hydroxybutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-[4-(4-fluorophenyl)phenyl]-3-hydroxy-butyl] ester Formula: C23H23FO4S MolecularWeight: 414.489723

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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)C3=CC=C(C=C3)F)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C)(C2=CC=C(C=C2)C3=CC=C(C=C3)F)O

InChI

InChI=1S/C23H23FO4S/c1-17-3-13-22(14-4-17)29(26,27)28-16-15-23(2,25)20-9-5-18(6-10-20)19-7-11-21(24)12-8-19/h3-14,25H,15-16H2,1-2H3