2-[(3-bromanyl-4-fluoranyl-phenyl)methylsulfanyl]benzoic acid

Systemtic Name: 2-[(3-bromanyl-4-fluoranyl-phenyl)methylsulfanyl]benzoic acid Openeye Name: 2-[(3-bromo-4-fluoro-phenyl)methylsulfanyl]benzoic acid CAS Name: 2-[(3-bromo-4-fluorophenyl)methylthio]benzoic acid IUPAC Name: 2-[(3-bromo-4-fluorophenyl)methylsulfanyl]benzoic acid Traditional Name: 2-[(3-bromo-4-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=CC(=C(C=C2)F)Br

Isomeric SMILES

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

InChI

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