2-[(4-fluorophenyl)methylsulfanyl]pentanoic acid

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]pentanoic acid Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]pentanoic acid CAS Name: 2-[(4-fluorophenyl)methylthio]pentanoic acid IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]pentanoic acid Traditional Name: 2-[(4-fluorobenzyl)thio]valeric acid Formula: C12H15FO2S MolecularWeight: 242.309703

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)SCC1=CC=C(C=C1)F

Isomeric SMILES

CCCC(C(=O)O)SCC1=CC=C(C=C1)F

InChI

InChI=1S/C12H15FO2S/c1-2-3-11(12(14)15)16-8-9-4-6-10(13)7-5-9/h4-7,11H,2-3,8H2,1H3,(H,14,15)