2-(3-chloranyl-4-fluoranyl-phenyl)-2-sulfanyl-ethanoic acid

Systemtic Name: 2-(3-chloranyl-4-fluoranyl-phenyl)-2-sulfanyl-ethanoic acid Openeye Name: 2-(3-chloro-4-fluoro-phenyl)-2-sulfanyl-acetic acid CAS Name: 2-(3-chloro-4-fluorophenyl)-2-mercaptoacetic acid IUPAC Name: 2-(3-chloro-4-fluorophenyl)-2-sulfanylacetic acid Traditional Name: 2-(3-chloro-4-fluoro-phenyl)-2-mercapto-acetic acid Formula: C8H6ClFO2S MolecularWeight: 220.648443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(C(=O)O)S)Cl)F

Isomeric SMILES

C1=CC(=C(C=C1C(C(=O)O)S)Cl)F

InChI

InChI=1S/C8H6ClFO2S/c9-5-3-4(1-2-6(5)10)7(13)8(11)12/h1-3,7,13H,(H,11,12)