2-[2,3,4,5,6-pentakis(fluoranyl)phenyl]sulfanylbenzoate

Systemtic Name: 2-[2,3,4,5,6-pentakis(fluoranyl)phenyl]sulfanylbenzoate Openeye Name: 2-(2,3,4,5,6-pentafluorophenyl)sulfanylbenzoate CAS Name: 2-[(2,3,4,5,6-pentafluorophenyl)thio]benzoate IUPAC Name: 2-(2,3,4,5,6-pentafluorophenyl)sulfanylbenzoate Traditional Name: 2-[(2,3,4,5,6-pentafluorophenyl)thio]benzoate Formula: C13H4F5O2S- MolecularWeight: 319.226676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])SC2=C(C(=C(C(=C2F)F)F)F)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])SC2=C(C(=C(C(=C2F)F)F)F)F

InChI

InChI=1S/C13H5F5O2S/c14-7-8(15)10(17)12(11(18)9(7)16)21-6-4-2-1-3-5(6)13(19)20/h1-4H,(H,19,20)/p-1