potassium 3-[4-tert-butyl-2,6-bis(iodanyl)phenoxy]propane-1-sulfonate

Systemtic Name: potassium 3-[4-tert-butyl-2,6-bis(iodanyl)phenoxy]propane-1-sulfonate Openeye Name: potassium 3-(4-tert-butyl-2,6-diiodo-phenoxy)propane-1-sulfonate CAS Name: potassium 3-(4-tert-butyl-2,6-diiodophenoxy)-1-propanesulfonate IUPAC Name: potassium 3-(4-tert-butyl-2,6-diiodophenoxy)propane-1-sulfonate Traditional Name: potassium 3-(4-tert-butyl-2,6-diiodo-phenoxy)propane-1-sulfonate Formula: C13H17I2KO4S MolecularWeight: 562.24392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)I)OCCCS(=O)(=O)[O-])I.[K+]

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)I)OCCCS(=O)(=O)[O-])I.[K+]

InChI

InChI=1S/C13H18I2O4S.K/c1-13(2,3)9-7-10(14)12(11(15)8-9)19-5-4-6-20(16,17)18;/h7-8H,4-6H2,1-3H3,(H,16,17,18);/q;+1/p-1