4-(3-chloranyl-4-fluoranyl-phenyl)sulfanylbutanoic acid

Systemtic Name: 4-(3-chloranyl-4-fluoranyl-phenyl)sulfanylbutanoic acid Openeye Name: 4-(3-chloro-4-fluoro-phenyl)sulfanylbutanoic acid CAS Name: 4-[(3-chloro-4-fluorophenyl)thio]butanoic acid IUPAC Name: 4-(3-chloro-4-fluorophenyl)sulfanylbutanoic acid Traditional Name: 4-[(3-chloro-4-fluoro-phenyl)thio]butyric acid Formula: C10H10ClFO2S MolecularWeight: 248.701603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SCCCC(=O)O)Cl)F

Isomeric SMILES

C1=CC(=C(C=C1SCCCC(=O)O)Cl)F

InChI

InChI=1S/C10H10ClFO2S/c11-8-6-7(3-4-9(8)12)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)