methyl (E)-7-iodanyl-5-(phenylcarbonyl)hept-6-enoate

Systemtic Name: methyl (E)-7-iodanyl-5-(phenylcarbonyl)hept-6-enoate Openeye Name: methyl (E)-5-benzoyl-7-iodo-hept-6-enoate CAS Name: (E)-5-benzoyl-7-iodo-6-heptenoic acid methyl ester IUPAC Name: methyl (E)-5-benzoyl-7-iodohept-6-enoate Traditional Name: (E)-5-benzoyl-7-iodo-hept-6-enoic acid methyl ester Formula: C15H17IO3 MolecularWeight: 372.19815

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(C=CI)C(=O)C1=CC=CC=C1

Isomeric SMILES

COC(=O)CCCC(/C=C/I)C(=O)C1=CC=CC=C1

InChI

InChI=1S/C15H17IO3/c1-19-14(17)9-5-8-13(10-11-16)15(18)12-6-3-2-4-7-12/h2-4,6-7,10-11,13H,5,8-9H2,1H3/b11-10+