ethyl 4-tert-butyl-3-iodanyl-benzoate

Systemtic Name: ethyl 4-tert-butyl-3-iodanyl-benzoate Openeye Name: ethyl 4-tert-butyl-3-iodo-benzoate CAS Name: 4-tert-butyl-3-iodobenzoic acid ethyl ester IUPAC Name: ethyl 4-tert-butyl-3-iodobenzoate Traditional Name: 4-tert-butyl-3-iodo-benzoic acid ethyl ester Formula: C13H17IO2 MolecularWeight: 332.17735

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17IO2/c1-5-16-12(15)9-6-7-10(11(14)8-9)13(2,3)4/h6-8H,5H2,1-4H3