methyl 2-[(2-iodanylphenyl)methyl]-4-oxidanylidene-hex-5-enoate

Systemtic Name: methyl 2-[(2-iodanylphenyl)methyl]-4-oxidanylidene-hex-5-enoate Openeye Name: methyl 2-[(2-iodophenyl)methyl]-4-oxo-hex-5-enoate CAS Name: 2-[(2-iodophenyl)methyl]-4-oxo-5-hexenoic acid methyl ester IUPAC Name: methyl 2-[(2-iodophenyl)methyl]-4-oxohex-5-enoate Traditional Name: 2-(2-iodobenzyl)-4-keto-hex-5-enoic acid methyl ester Formula: C14H15IO3 MolecularWeight: 358.17157

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15IO3/c1-3-12(16)9-11(14(17)18-2)8-10-6-4-5-7-13(10)15/h3-7,11H,1,8-9H2,2H3