methyl 5-(2-iodanylphenyl)-2-methyl-3-oxidanylidene-pentanoate

Systemtic Name: methyl 5-(2-iodanylphenyl)-2-methyl-3-oxidanylidene-pentanoate Openeye Name: methyl 5-(2-iodophenyl)-2-methyl-3-oxo-pentanoate CAS Name: 5-(2-iodophenyl)-2-methyl-3-oxopentanoic acid methyl ester IUPAC Name: methyl 5-(2-iodophenyl)-2-methyl-3-oxopentanoate Traditional Name: 5-(2-iodophenyl)-3-keto-2-methyl-valeric acid methyl ester Formula: C13H15IO3 MolecularWeight: 346.16087

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)CCC1=CC=CC=C1I)C(=O)OC

Isomeric SMILES

CC(C(=O)CCC1=CC=CC=C1I)C(=O)OC

InChI

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