methyl 2-[(2-iodanylphenyl)methyl]-4-oxidanylidene-pentanoate

Systemtic Name: methyl 2-[(2-iodanylphenyl)methyl]-4-oxidanylidene-pentanoate Openeye Name: methyl 2-[(2-iodophenyl)methyl]-4-oxo-pentanoate CAS Name: 2-[(2-iodophenyl)methyl]-4-oxopentanoic acid methyl ester IUPAC Name: methyl 2-[(2-iodophenyl)methyl]-4-oxopentanoate Traditional Name: 2-(2-iodobenzyl)-4-keto-valeric acid methyl ester Formula: C13H15IO3 MolecularWeight: 346.16087

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(CC1=CC=CC=C1I)C(=O)OC

Isomeric SMILES

CC(=O)CC(CC1=CC=CC=C1I)C(=O)OC

InChI

InChI=1S/C13H15IO3/c1-9(15)7-11(13(16)17-2)8-10-5-3-4-6-12(10)14/h3-6,11H,7-8H2,1-2H3