3-ethoxy-4-(2-ethoxy-2-oxidanylidene-ethoxy)-5-iodanyl-benzoic acid

Systemtic Name: 3-ethoxy-4-(2-ethoxy-2-oxidanylidene-ethoxy)-5-iodanyl-benzoic acid Openeye Name: 3-ethoxy-4-(2-ethoxy-2-oxo-ethoxy)-5-iodo-benzoic acid CAS Name: 3-ethoxy-4-(2-ethoxy-2-oxoethoxy)-5-iodobenzoic acid IUPAC Name: 3-ethoxy-4-(2-ethoxy-2-oxoethoxy)-5-iodobenzoic acid Traditional Name: 3-ethoxy-4-(2-ethoxy-2-keto-ethoxy)-5-iodo-benzoic acid Formula: C13H15IO6 MolecularWeight: 394.15907

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)O)I)OCC(=O)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)O)I)OCC(=O)OCC

InChI

InChI=1S/C13H15IO6/c1-3-18-10-6-8(13(16)17)5-9(14)12(10)20-7-11(15)19-4-2/h5-6H,3-4,7H2,1-2H3,(H,16,17)