calcium 5,5,5-tris(fluoranyl)-4-oxidanylidene-pentane-1-sulfonate

Systemtic Name: calcium 5,5,5-tris(fluoranyl)-4-oxidanylidene-pentane-1-sulfonate Openeye Name: calcium 5,5,5-trifluoro-4-oxo-pentane-1-sulfonate CAS Name: calcium 5,5,5-trifluoro-4-oxo-1-pentanesulfonate IUPAC Name: calcium 5,5,5-trifluoro-4-oxopentane-1-sulfonate Traditional Name: calcium 5,5,5-trifluoro-4-keto-pentane-1-sulfonate Formula: C5H6CaF3O4S+ MolecularWeight: 259.23695

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)C(F)(F)F)CS(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

C(CC(=O)C(F)(F)F)CS(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/C5H7F3O4S.Ca/c6-5(7,8)4(9)2-1-3-13(10,11)12;/h1-3H2,(H,10,11,12);/q;+2/p-1