4-(2,2-dimethylpropyl)-3-iodanyl-benzoic acid

Systemtic Name: 4-(2,2-dimethylpropyl)-3-iodanyl-benzoic acid Openeye Name: 4-(2,2-dimethylpropyl)-3-iodo-benzoic acid CAS Name: 4-(2,2-dimethylpropyl)-3-iodobenzoic acid IUPAC Name: 4-(2,2-dimethylpropyl)-3-iodobenzoic acid Traditional Name: 3-iodo-4-neopentyl-benzoic acid Formula: C12H15IO2 MolecularWeight: 318.15077

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=C(C=C(C=C1)C(=O)O)I

Isomeric SMILES

CC(C)(C)CC1=C(C=C(C=C1)C(=O)O)I

InChI

InChI=1S/C12H15IO2/c1-12(2,3)7-9-5-4-8(11(14)15)6-10(9)13/h4-6H,7H2,1-3H3,(H,14,15)