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

Systemtic Name: 2-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]benzoic acid Openeye Name: 2-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]benzoic acid CAS Name: 2-[(4-bromo-2-fluorophenyl)methylthio]benzoic acid IUPAC Name: 2-[(4-bromo-2-fluorophenyl)methylsulfanyl]benzoic acid Traditional Name: 2-[(4-bromo-2-fluoro-benzyl)thio]benzoic acid Formula: C14H10BrFO2S MolecularWeight: 341.195403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SCC2=C(C=C(C=C2)Br)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SCC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C14H10BrFO2S/c15-10-6-5-9(12(16)7-10)8-19-13-4-2-1-3-11(13)14(17)18/h1-7H,8H2,(H,17,18)