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

Systemtic Name: sodium 4-[2,2,2-tris(fluoranyl)ethanoyloxy]benzenesulfonate Openeye Name: sodium 4-(2,2,2-trifluoroacetyl)oxybenzenesulfonate CAS Name: sodium 4-(2,2,2-trifluoro-1-oxoethoxy)benzenesulfonate IUPAC Name: sodium 4-(2,2,2-trifluoroacetyl)oxybenzenesulfonate Traditional Name: sodium 4-(2,2,2-trifluoroacetyl)oxybesylate Formula: C8H4F3NaO5S MolecularWeight: 292.16434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC(=O)C(F)(F)F)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC=C1OC(=O)C(F)(F)F)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C8H5F3O5S.Na/c9-8(10,11)7(12)16-5-1-3-6(4-2-5)17(13,14)15;/h1-4H,(H,13,14,15);/q;+1/p-1