methyl (2E,4E,6E,9S,10E)-11-iodanyl-9-oxidanyl-undeca-2,4,6,10-tetraenoate

Systemtic Name: methyl (2E,4E,6E,9S,10E)-11-iodanyl-9-oxidanyl-undeca-2,4,6,10-tetraenoate Openeye Name: methyl (2E,4E,6E,9S,10E)-9-hydroxy-11-iodo-undeca-2,4,6,10-tetraenoate CAS Name: (2E,4E,6E,9S,10E)-9-hydroxy-11-iodoundeca-2,4,6,10-tetraenoic acid methyl ester IUPAC Name: methyl (2E,4E,6E,9S,10E)-9-hydroxy-11-iodoundeca-2,4,6,10-tetraenoate Traditional Name: (2E,4E,6E,9S,10E)-9-hydroxy-11-iodo-undeca-2,4,6,10-tetraenoic acid methyl ester Formula: C12H15IO3 MolecularWeight: 334.15017

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC=CC=CCC(C=CI)O

Isomeric SMILES

COC(=O)/C=C/C=C/C=C/C[C@@H](/C=C/I)O

InChI

InChI=1S/C12H15IO3/c1-16-12(15)8-6-4-2-3-5-7-11(14)9-10-13/h2-6,8-11,14H,7H2,1H3/b4-2+,5-3+,8-6+,10-9+/t11-/m0/s1