3-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]propanoic acid Openeye Name: 3-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]propanoic acid CAS Name: 3-[(2-chloro-4-fluorophenyl)methylthio]propanoic acid IUPAC Name: 3-[(2-chloro-4-fluorophenyl)methylsulfanyl]propanoic acid Traditional Name: 3-[(2-chloro-4-fluoro-benzyl)thio]propionic acid Formula: C10H10ClFO2S MolecularWeight: 248.701603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)Cl)CSCCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1F)Cl)CSCCC(=O)O

InChI

InChI=1S/C10H10ClFO2S/c11-9-5-8(12)2-1-7(9)6-15-4-3-10(13)14/h1-2,5H,3-4,6H2,(H,13,14)