3-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]propanoate

Systemtic Name: 3-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]propanoate Openeye Name: 3-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]propanoate CAS Name: 3-[(2-chloro-4-fluorophenyl)methylthio]propanoate IUPAC Name: 3-[(2-chloro-4-fluorophenyl)methylsulfanyl]propanoate Traditional Name: 3-[(2-chloro-4-fluoro-benzyl)thio]propionate Formula: C10H9ClFO2S- MolecularWeight: 247.693663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)Cl)CSCCC(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1F)Cl)CSCCC(=O)[O-]

InChI

InChI=1S/C10H10ClFO2S/c11-9-5-8(12)2-1-7(9)6-15-4-3-10(13)14/h1-2,5H,3-4,6H2,(H,13,14)/p-1