4-iodanyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]benzoic acid

Systemtic Name: 4-iodanyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]benzoic acid Openeye Name: 3-(2-tert-butoxy-2-oxo-ethoxy)-4-iodo-benzoic acid CAS Name: 4-iodo-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]benzoic acid IUPAC Name: 4-iodo-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]benzoic acid Traditional Name: 3-(2-tert-butoxy-2-keto-ethoxy)-4-iodo-benzoic acid Formula: C13H15IO5 MolecularWeight: 378.15967

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1=C(C=CC(=C1)C(=O)O)I

Isomeric SMILES

CC(C)(C)OC(=O)COC1=C(C=CC(=C1)C(=O)O)I

InChI

InChI=1S/C13H15IO5/c1-13(2,3)19-11(15)7-18-10-6-8(12(16)17)4-5-9(10)14/h4-6H,7H2,1-3H3,(H,16,17)