[(1R,2S)-2-acetyloxy-1-(1,3-benzodioxol-5-yl)-3-iodanyl-but-3-enyl] ethanoate

Systemtic Name: [(1R,2S)-2-acetyloxy-1-(1,3-benzodioxol-5-yl)-3-iodanyl-but-3-enyl] ethanoate Openeye Name: [(1R,2S)-2-acetoxy-1-(1,3-benzodioxol-5-yl)-3-iodo-but-3-enyl] acetate CAS Name: acetic acid [(1R,2S)-2-acetyloxy-1-(1,3-benzodioxol-5-yl)-3-iodobut-3-enyl] ester IUPAC Name: [(1R,2S)-2-acetyloxy-1-(1,3-benzodioxol-5-yl)-3-iodobut-3-enyl] acetate Traditional Name: acetic acid [(1R,2S)-2-acetoxy-1-(1,3-benzodioxol-5-yl)-3-iodo-but-3-enyl] ester Formula: C15H15IO6 MolecularWeight: 418.18047

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=CC2=C(C=C1)OCO2)C(C(=C)I)OC(=O)C

Isomeric SMILES

CC(=O)O[C@H](C1=CC2=C(C=C1)OCO2)[C@@H](C(=C)I)OC(=O)C

InChI

InChI=1S/C15H15IO6/c1-8(16)14(21-9(2)17)15(22-10(3)18)11-4-5-12-13(6-11)20-7-19-12/h4-6,14-15H,1,7H2,2-3H3/t14-,15-/m1/s1