3-iodanyl-4-(2-methylbutan-2-yl)benzoic acid

Systemtic Name: 3-iodanyl-4-(2-methylbutan-2-yl)benzoic acid Openeye Name: 4-(1,1-dimethylpropyl)-3-iodo-benzoic acid CAS Name: 3-iodo-4-(2-methylbutan-2-yl)benzoic acid IUPAC Name: 3-iodo-4-(2-methylbutan-2-yl)benzoic acid Traditional Name: 4-tert-amyl-3-iodo-benzoic acid Formula: C12H15IO2 MolecularWeight: 318.15077

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=C(C=C(C=C1)C(=O)O)I

Isomeric SMILES

CCC(C)(C)C1=C(C=C(C=C1)C(=O)O)I

InChI

InChI=1S/C12H15IO2/c1-4-12(2,3)9-6-5-8(11(14)15)7-10(9)13/h5-7H,4H2,1-3H3,(H,14,15)