2-(3-tert-butyl-5-iodanyl-4-oxidanyl-phenyl)propanoic acid

Systemtic Name: 2-(3-tert-butyl-5-iodanyl-4-oxidanyl-phenyl)propanoic acid Openeye Name: 2-(3-tert-butyl-4-hydroxy-5-iodo-phenyl)propanoic acid CAS Name: 2-(3-tert-butyl-4-hydroxy-5-iodophenyl)propanoic acid IUPAC Name: 2-(3-tert-butyl-4-hydroxy-5-iodophenyl)propanoic acid Traditional Name: 2-(3-tert-butyl-4-hydroxy-5-iodo-phenyl)propionic acid Formula: C13H17IO3 MolecularWeight: 348.17675

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17IO3/c1-7(12(16)17)8-5-9(13(2,3)4)11(15)10(14)6-8/h5-7,15H,1-4H3,(H,16,17)