5-[(4-fluorophenyl)methylsulfanyl]-3-oxidanyl-pentanoate

Systemtic Name: 5-[(4-fluorophenyl)methylsulfanyl]-3-oxidanyl-pentanoate Openeye Name: 5-[(4-fluorophenyl)methylsulfanyl]-3-hydroxy-pentanoate CAS Name: 5-[(4-fluorophenyl)methylthio]-3-hydroxypentanoate IUPAC Name: 5-[(4-fluorophenyl)methylsulfanyl]-3-hydroxypentanoate Traditional Name: 5-[(4-fluorobenzyl)thio]-3-hydroxy-valerate Formula: C12H14FO3S- MolecularWeight: 257.301163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCCC(CC(=O)[O-])O)F

Isomeric SMILES

C1=CC(=CC=C1CSCCC(CC(=O)[O-])O)F

InChI

InChI=1S/C12H15FO3S/c13-10-3-1-9(2-4-10)8-17-6-5-11(14)7-12(15)16/h1-4,11,14H,5-8H2,(H,15,16)/p-1