methyl (2E,5R,6E)-7-iodanyl-3-methyl-5-oxidanyl-hepta-2,6-dienoate

Systemtic Name: methyl (2E,5R,6E)-7-iodanyl-3-methyl-5-oxidanyl-hepta-2,6-dienoate Openeye Name: methyl (2E,5R,6E)-5-hydroxy-7-iodo-3-methyl-hepta-2,6-dienoate CAS Name: (2E,5R,6E)-5-hydroxy-7-iodo-3-methylhepta-2,6-dienoic acid methyl ester IUPAC Name: methyl (2E,5R,6E)-5-hydroxy-7-iodo-3-methylhepta-2,6-dienoate Traditional Name: (2E,5R,6E)-5-hydroxy-7-iodo-3-methyl-hepta-2,6-dienoic acid methyl ester Formula: C9H13IO3 MolecularWeight: 296.10219

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OC)CC(C=CI)O

Isomeric SMILES

C/C(=C\C(=O)OC)/C[C@H](/C=C/I)O

InChI

InChI=1S/C9H13IO3/c1-7(6-9(12)13-2)5-8(11)3-4-10/h3-4,6,8,11H,5H2,1-2H3/b4-3+,7-6+/t8-/m0/s1