3-(trifluoromethylsulfonyl)pentan-3-ylphosphonic acid; tris(fluoranyl)methanesulfonate

Systemtic Name: 3-(trifluoromethylsulfonyl)pentan-3-ylphosphonic acid; tris(fluoranyl)methanesulfonate Openeye Name: [1-ethyl-1-(trifluoromethylsulfonyl)propyl]phosphonic acid; trifluoromethanesulfonate CAS Name: trifluoromethanesulfonate; 3-(trifluoromethylsulfonyl)pentan-3-ylphosphonic acid IUPAC Name: trifluoromethanesulfonate; 3-(trifluoromethylsulfonyl)pentan-3-ylphosphonic acid Traditional Name: (1-ethyl-1-triflyl-propyl)phosphonic acid triflate Formula: C7H12F6O8PS2- MolecularWeight: 433.25956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(P(=O)(O)O)S(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCC(CC)(P(=O)(O)O)S(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C6H12F3O5PS.CHF3O3S/c1-3-5(4-2,15(10,11)12)16(13,14)6(7,8)9;2-1(3,4)8(5,6)7/h3-4H2,1-2H3,(H2,10,11,12);(H,5,6,7)/p-1