methyl 2-(2-iodanylethyl)-4-oxidanylidene-2-phenyl-butanoate

Systemtic Name: methyl 2-(2-iodanylethyl)-4-oxidanylidene-2-phenyl-butanoate Openeye Name: methyl 2-(2-iodoethyl)-4-oxo-2-phenyl-butanoate CAS Name: 2-(2-iodoethyl)-4-oxo-2-phenylbutanoic acid methyl ester IUPAC Name: methyl 2-(2-iodoethyl)-4-oxo-2-phenylbutanoate Traditional Name: 2-(2-iodoethyl)-4-keto-2-phenyl-butyric acid methyl ester Formula: C13H15IO3 MolecularWeight: 346.16087

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCI)(CC=O)C1=CC=CC=C1

Isomeric SMILES

COC(=O)C(CCI)(CC=O)C1=CC=CC=C1

InChI

InChI=1S/C13H15IO3/c1-17-12(16)13(7-9-14,8-10-15)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3