4-methylbenzenesulfonate; 4,4,5,5,5-pentakis(fluoranyl)pentane-1,3-diol

Systemtic Name: 4-methylbenzenesulfonate; 4,4,5,5,5-pentakis(fluoranyl)pentane-1,3-diol Openeye Name: 4-methylbenzenesulfonate; 4,4,5,5,5-pentafluoropentane-1,3-diol CAS Name: 4-methylbenzenesulfonate; 4,4,5,5,5-pentafluoropentane-1,3-diol IUPAC Name: 4-methylbenzenesulfonate; 4,4,5,5,5-pentafluoropentane-1,3-diol Traditional Name: 4,4,5,5,5-pentafluoropentane-1,3-diol tosylate Formula: C12H14F5O5S- MolecularWeight: 365.293576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C(CO)C(C(C(F)(F)F)(F)F)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C(CO)C(C(C(F)(F)F)(F)F)O

InChI

InChI=1S/C7H8O3S.C5H7F5O2/c1-6-2-4-7(5-3-6)11(8,9)10;6-4(7,5(8,9)10)3(12)1-2-11/h2-5H,1H3,(H,8,9,10);3,11-12H,1-2H2/p-1