methyl 2-[(2-iodanylphenyl)methyl]-3-oxidanylidene-hept-6-enoate

Systemtic Name: methyl 2-[(2-iodanylphenyl)methyl]-3-oxidanylidene-hept-6-enoate Openeye Name: methyl 2-[(2-iodophenyl)methyl]-3-oxo-hept-6-enoate CAS Name: 2-[(2-iodophenyl)methyl]-3-oxo-6-heptenoic acid methyl ester IUPAC Name: methyl 2-[(2-iodophenyl)methyl]-3-oxohept-6-enoate Traditional Name: 2-(2-iodobenzyl)-3-keto-hept-6-enoic acid methyl ester Formula: C15H17IO3 MolecularWeight: 372.19815

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17IO3/c1-3-4-9-14(17)12(15(18)19-2)10-11-7-5-6-8-13(11)16/h3,5-8,12H,1,4,9-10H2,2H3