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

Systemtic Name: 3-[(3-bromanyl-4-fluoranyl-phenyl)methylsulfanyl]propanoic acid Openeye Name: 3-[(3-bromo-4-fluoro-phenyl)methylsulfanyl]propanoic acid CAS Name: 3-[(3-bromo-4-fluorophenyl)methylthio]propanoic acid IUPAC Name: 3-[(3-bromo-4-fluorophenyl)methylsulfanyl]propanoic acid Traditional Name: 3-[(3-bromo-4-fluoro-benzyl)thio]propionic acid Formula: C10H10BrFO2S MolecularWeight: 293.152603

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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)