sodium 4-[2,2,2-tris(fluoranyl)ethanoyl]benzenesulfonate

Systemtic Name: sodium 4-[2,2,2-tris(fluoranyl)ethanoyl]benzenesulfonate Openeye Name: sodium 4-(2,2,2-trifluoroacetyl)benzenesulfonate CAS Name: sodium 4-(2,2,2-trifluoro-1-oxoethyl)benzenesulfonate IUPAC Name: sodium 4-(2,2,2-trifluoroacetyl)benzenesulfonate Traditional Name: sodium 4-(2,2,2-trifluoroacetyl)besylate Formula: C8H4F3NaO4S MolecularWeight: 276.16494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C(F)(F)F)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC=C1C(=O)C(F)(F)F)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C8H5F3O4S.Na/c9-8(10,11)7(12)5-1-3-6(4-2-5)16(13,14)15;/h1-4H,(H,13,14,15);/q;+1/p-1