5-(3-chloranyl-4-fluoranyl-phenyl)sulfanylpentanoic acid

Systemtic Name: 5-(3-chloranyl-4-fluoranyl-phenyl)sulfanylpentanoic acid Openeye Name: 5-(3-chloro-4-fluoro-phenyl)sulfanylpentanoic acid CAS Name: 5-[(3-chloro-4-fluorophenyl)thio]pentanoic acid IUPAC Name: 5-(3-chloro-4-fluorophenyl)sulfanylpentanoic acid Traditional Name: 5-[(3-chloro-4-fluoro-phenyl)thio]valeric acid Formula: C11H12ClFO2S MolecularWeight: 262.728183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SCCCCC(=O)O)Cl)F

Isomeric SMILES

C1=CC(=C(C=C1SCCCCC(=O)O)Cl)F

InChI

InChI=1S/C11H12ClFO2S/c12-9-7-8(4-5-10(9)13)16-6-2-1-3-11(14)15/h4-5,7H,1-3,6H2,(H,14,15)