methyl 3-tert-butyl-5-iodanyl-benzoate

Systemtic Name: methyl 3-tert-butyl-5-iodanyl-benzoate Openeye Name: methyl 3-tert-butyl-5-iodo-benzoate CAS Name: 3-tert-butyl-5-iodobenzoic acid methyl ester IUPAC Name: methyl 3-tert-butyl-5-iodobenzoate Traditional Name: 3-tert-butyl-5-iodo-benzoic acid methyl ester Formula: C12H15IO2 MolecularWeight: 318.15077

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15IO2/c1-12(2,3)9-5-8(11(14)15-4)6-10(13)7-9/h5-7H,1-4H3