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

Systemtic Name: 3-[4-tert-butyl-2,6-bis(iodanyl)phenoxy]propane-1-sulfonic acid Openeye Name: 3-(4-tert-butyl-2,6-diiodo-phenoxy)propane-1-sulfonic acid CAS Name: 3-(4-tert-butyl-2,6-diiodophenoxy)-1-propanesulfonic acid IUPAC Name: 3-(4-tert-butyl-2,6-diiodophenoxy)propane-1-sulfonic acid Traditional Name: 3-(4-tert-butyl-2,6-diiodo-phenoxy)propane-1-sulfonic acid Formula: C13H18I2O4S MolecularWeight: 524.15356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)I)OCCCS(=O)(=O)O)I

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)I)OCCCS(=O)(=O)O)I

InChI

InChI=1S/C13H18I2O4S/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)