2-[3,4,4-tris(fluoranyl)but-3-enylsulfanyl]benzoic acid

Systemtic Name: 2-[3,4,4-tris(fluoranyl)but-3-enylsulfanyl]benzoic acid Openeye Name: 2-(3,4,4-trifluorobut-3-enylsulfanyl)benzoic acid CAS Name: 2-(3,4,4-trifluorobut-3-enylthio)benzoic acid IUPAC Name: 2-(3,4,4-trifluorobut-3-enylsulfanyl)benzoic acid Traditional Name: 2-(3,4,4-trifluorobut-3-enylthio)benzoic acid Formula: C11H9F3O2S MolecularWeight: 262.24817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SCCC(=C(F)F)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SCCC(=C(F)F)F

InChI

InChI=1S/C11H9F3O2S/c12-8(10(13)14)5-6-17-9-4-2-1-3-7(9)11(15)16/h1-4H,5-6H2,(H,15,16)