[(3aS,4R,7aS)-6-iodanyl-2,2-dimethyl-7-oxidanylidene-4,7a-dihydro-3aH-1,3-benzodioxol-4-yl] ethanoate

Systemtic Name: [(3aS,4R,7aS)-6-iodanyl-2,2-dimethyl-7-oxidanylidene-4,7a-dihydro-3aH-1,3-benzodioxol-4-yl] ethanoate Openeye Name: [(3aS,4R,7aS)-6-iodo-2,2-dimethyl-7-oxo-4,7a-dihydro-3aH-1,3-benzodioxol-4-yl] acetate CAS Name: acetic acid [(3aS,4R,7aS)-6-iodo-2,2-dimethyl-7-oxo-4,7a-dihydro-3aH-1,3-benzodioxol-4-yl] ester IUPAC Name: [(3aS,4R,7aS)-6-iodo-2,2-dimethyl-7-oxo-4,7a-dihydro-3aH-1,3-benzodioxol-4-yl] acetate Traditional Name: acetic acid [(3aS,4R,7aS)-6-iodo-7-keto-2,2-dimethyl-4,7a-dihydro-3aH-1,3-benzodioxol-4-yl] ester Formula: C11H13IO5 MolecularWeight: 352.12239

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C=C(C(=O)C2C1OC(O2)(C)C)I

Isomeric SMILES

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

InChI

InChI=1S/C11H13IO5/c1-5(13)15-7-4-6(12)8(14)10-9(7)16-11(2,3)17-10/h4,7,9-10H,1-3H3/t7-,9+,10-/m1/s1