3,5-diethoxy-2-[3-(4-ethoxyphenyl)-3-oxidanylidene-propanoyl]-6-iodanyl-phenolate

Systemtic Name: 3,5-diethoxy-2-[3-(4-ethoxyphenyl)-3-oxidanylidene-propanoyl]-6-iodanyl-phenolate Openeye Name: 3,5-diethoxy-2-[3-(4-ethoxyphenyl)-3-oxo-propanoyl]-6-iodo-phenolate CAS Name: 3,5-diethoxy-2-[3-(4-ethoxyphenyl)-1,3-dioxopropyl]-6-iodophenolate IUPAC Name: 3,5-diethoxy-2-[3-(4-ethoxyphenyl)-3-oxopropanoyl]-6-iodophenolate Traditional Name: 3,5-diethoxy-2-iodo-6-(3-keto-3-p-phenetyl-propanoyl)phenolate Formula: C21H22IO6- MolecularWeight: 497.30025

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CC(=O)C2=C(C(=C(C=C2OCC)OCC)I)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CC(=O)C2=C(C(=C(C=C2OCC)OCC)I)[O-]

InChI

InChI=1S/C21H23IO6/c1-4-26-14-9-7-13(8-10-14)15(23)11-16(24)19-17(27-5-2)12-18(28-6-3)20(22)21(19)25/h7-10,12,25H,4-6,11H2,1-3H3/p-1