(1S,4R,8R)-8-butoxy-4-iodanyl-2-oxabicyclo[2.2.2]oct-5-en-3-one

Systemtic Name: (1S,4R,8R)-8-butoxy-4-iodanyl-2-oxabicyclo[2.2.2]oct-5-en-3-one Openeye Name: (1S,4R,8R)-8-butoxy-4-iodo-2-oxabicyclo[2.2.2]oct-5-en-3-one CAS Name: (1S,4R,8R)-8-butoxy-4-iodo-2-oxabicyclo[2.2.2]oct-5-en-3-one IUPAC Name: (1S,4R,8R)-8-butoxy-4-iodo-2-oxabicyclo[2.2.2]oct-5-en-3-one Traditional Name: (1S,4R,8R)-8-butoxy-4-iodo-2-oxabicyclo[2.2.2]oct-5-en-3-one Formula: C11H15IO3 MolecularWeight: 322.13947

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1CC2C=CC1(C(=O)O2)I

Isomeric SMILES

CCCCO[C@@H]1C[C@H]2C=C[C@@]1(C(=O)O2)I

InChI

InChI=1S/C11H15IO3/c1-2-3-6-14-9-7-8-4-5-11(9,12)10(13)15-8/h4-5,8-9H,2-3,6-7H2,1H3/t8-,9-,11-/m1/s1