sodium 2-propyl-6-(trifluoromethyl)benzenesulfonate

Systemtic Name: sodium 2-propyl-6-(trifluoromethyl)benzenesulfonate Openeye Name: sodium 2-propyl-6-(trifluoromethyl)benzenesulfonate CAS Name: sodium 2-propyl-6-(trifluoromethyl)benzenesulfonate IUPAC Name: sodium 2-propyl-6-(trifluoromethyl)benzenesulfonate Traditional Name: sodium 2-propyl-6-(trifluoromethyl)besylate Formula: C10H10F3NaO3S MolecularWeight: 290.23458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC=C1)C(F)(F)F)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCC1=C(C(=CC=C1)C(F)(F)F)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C10H11F3O3S.Na/c1-2-4-7-5-3-6-8(10(11,12)13)9(7)17(14,15)16;/h3,5-6H,2,4H2,1H3,(H,14,15,16);/q;+1/p-1