iodanyl 4-tert-butyl-2-oxidanyl-benzoate

Systemtic Name: iodanyl 4-tert-butyl-2-oxidanyl-benzoate Openeye Name: iodo 4-tert-butyl-2-hydroxy-benzoate CAS Name: 4-tert-butyl-2-hydroxybenzoic acid iodo ester IUPAC Name: iodo 4-tert-butyl-2-hydroxybenzoate Traditional Name: 4-tert-butyl-2-hydroxy-benzoic acid iodo ester Formula: C11H13IO3 MolecularWeight: 320.12359

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)C(=O)OI)O

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)C(=O)OI)O

InChI

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