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

Systemtic Name: 2-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]acetic acid CAS Name: 2-[(4-bromo-2-fluorophenyl)methylthio]acetic acid IUPAC Name: 2-[(4-bromo-2-fluorophenyl)methylsulfanyl]acetic acid Traditional Name: 2-[(4-bromo-2-fluoro-benzyl)thio]acetic acid Formula: C9H8BrFO2S MolecularWeight: 279.126023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)F)CSCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Br)F)CSCC(=O)O

InChI

InChI=1S/C9H8BrFO2S/c10-7-2-1-6(8(11)3-7)4-14-5-9(12)13/h1-3H,4-5H2,(H,12,13)