3-fluoranyl-4-[(2-fluorophenyl)methylsulfanyl]benzoic acid

Systemtic Name: 3-fluoranyl-4-[(2-fluorophenyl)methylsulfanyl]benzoic acid Openeye Name: 3-fluoro-4-[(2-fluorophenyl)methylsulfanyl]benzoic acid CAS Name: 3-fluoro-4-[(2-fluorophenyl)methylthio]benzoic acid IUPAC Name: 3-fluoro-4-[(2-fluorophenyl)methylsulfanyl]benzoic acid Traditional Name: 3-fluoro-4-[(2-fluorobenzyl)thio]benzoic acid Formula: C14H10F2O2S MolecularWeight: 280.289806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=C(C=C(C=C2)C(=O)O)F)F

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=C(C=C(C=C2)C(=O)O)F)F

InChI

InChI=1S/C14H10F2O2S/c15-11-4-2-1-3-10(11)8-19-13-6-5-9(14(17)18)7-12(13)16/h1-7H,8H2,(H,17,18)