sodium 2-[3,3,3-tris(fluoranyl)propyl]benzenesulfonate

Systemtic Name: sodium 2-[3,3,3-tris(fluoranyl)propyl]benzenesulfonate Openeye Name: sodium 2-(3,3,3-trifluoropropyl)benzenesulfonate CAS Name: sodium 2-(3,3,3-trifluoropropyl)benzenesulfonate IUPAC Name: sodium 2-(3,3,3-trifluoropropyl)benzenesulfonate Traditional Name: sodium 2-(3,3,3-trifluoropropyl)besylate Formula: C9H8F3NaO3S MolecularWeight: 276.208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9F3O3S.Na/c10-9(11,12)6-5-7-3-1-2-4-8(7)16(13,14)15;/h1-4H,5-6H2,(H,13,14,15);/q;+1/p-1