4-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]benzoic acid

Systemtic Name: 4-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]benzoic acid Openeye Name: 4-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]benzoic acid CAS Name: 4-[(2-chloro-6-fluorophenyl)methylthio]benzoic acid IUPAC Name: 4-[(2-chloro-6-fluorophenyl)methylsulfanyl]benzoic acid Traditional Name: 4-[(2-chloro-6-fluoro-benzyl)thio]benzoic acid Formula: C14H10ClFO2S MolecularWeight: 296.744403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)CSC2=CC=C(C=C2)C(=O)O)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)CSC2=CC=C(C=C2)C(=O)O)F

InChI

InChI=1S/C14H10ClFO2S/c15-12-2-1-3-13(16)11(12)8-19-10-6-4-9(5-7-10)14(17)18/h1-7H,8H2,(H,17,18)