3-[(3-bromanyl-4-fluoranyl-phenyl)methylsulfanyl]propanoate

Systemtic Name: 3-[(3-bromanyl-4-fluoranyl-phenyl)methylsulfanyl]propanoate Openeye Name: 3-[(3-bromo-4-fluoro-phenyl)methylsulfanyl]propanoate CAS Name: 3-[(3-bromo-4-fluorophenyl)methylthio]propanoate IUPAC Name: 3-[(3-bromo-4-fluorophenyl)methylsulfanyl]propanoate Traditional Name: 3-[(3-bromo-4-fluoro-benzyl)thio]propionate Formula: C10H9BrFO2S- MolecularWeight: 292.144663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CSCCC(=O)[O-])Br)F

Isomeric SMILES

C1=CC(=C(C=C1CSCCC(=O)[O-])Br)F

InChI

InChI=1S/C10H10BrFO2S/c11-8-5-7(1-2-9(8)12)6-15-4-3-10(13)14/h1-2,5H,3-4,6H2,(H,13,14)/p-1