tert-butyl 4-(bromomethyl)-3-iodanyl-benzoate

Systemtic Name: tert-butyl 4-(bromomethyl)-3-iodanyl-benzoate Openeye Name: tert-butyl 4-(bromomethyl)-3-iodo-benzoate CAS Name: 4-(bromomethyl)-3-iodobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-(bromomethyl)-3-iodobenzoate Traditional Name: 4-(bromomethyl)-3-iodo-benzoic acid tert-butyl ester Formula: C12H14BrIO2 MolecularWeight: 397.04683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14BrIO2/c1-12(2,3)16-11(15)8-4-5-9(7-13)10(14)6-8/h4-6H,7H2,1-3H3