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

Systemtic Name: 4-[(3-bromanyl-4-fluoranyl-phenyl)methylsulfanyl]benzoic acid Openeye Name: 4-[(3-bromo-4-fluoro-phenyl)methylsulfanyl]benzoic acid CAS Name: 4-[(3-bromo-4-fluorophenyl)methylthio]benzoic acid IUPAC Name: 4-[(3-bromo-4-fluorophenyl)methylsulfanyl]benzoic acid Traditional Name: 4-[(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(=CC=C1C(=O)O)SCC2=CC(=C(C=C2)F)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)SCC2=CC(=C(C=C2)F)Br

InChI

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