4-[[2-(fluoranylmethyl)phenyl]methylsulfanyl]butanoic acid

Systemtic Name: 4-[[2-(fluoranylmethyl)phenyl]methylsulfanyl]butanoic acid Openeye Name: 4-[[2-(fluoromethyl)phenyl]methylsulfanyl]butanoic acid CAS Name: 4-[[2-(fluoromethyl)phenyl]methylthio]butanoic acid IUPAC Name: 4-[[2-(fluoromethyl)phenyl]methylsulfanyl]butanoic acid Traditional Name: 4-[[2-(fluoromethyl)benzyl]thio]butyric acid Formula: C12H15FO2S MolecularWeight: 242.309703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CF)CSCCCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)CF)CSCCCC(=O)O

InChI

InChI=1S/C12H15FO2S/c13-8-10-4-1-2-5-11(10)9-16-7-3-6-12(14)15/h1-2,4-5H,3,6-9H2,(H,14,15)