5-tert-butyl-3-iodanyl-2-oxidanyl-benzoic acid

Systemtic Name: 5-tert-butyl-3-iodanyl-2-oxidanyl-benzoic acid Openeye Name: 5-tert-butyl-2-hydroxy-3-iodo-benzoic acid CAS Name: 5-tert-butyl-2-hydroxy-3-iodobenzoic acid IUPAC Name: 5-tert-butyl-2-hydroxy-3-iodobenzoic acid Traditional Name: 5-tert-butyl-2-hydroxy-3-iodo-benzoic acid Formula: C11H13IO3 MolecularWeight: 320.12359

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13IO3/c1-11(2,3)6-4-7(10(14)15)9(13)8(12)5-6/h4-5,13H,1-3H3,(H,14,15)