2,4,6-tris(iodanyl)-3-octylperoxycarbonyl-benzoate

Systemtic Name: 2,4,6-tris(iodanyl)-3-octylperoxycarbonyl-benzoate Openeye Name: 2,4,6-triiodo-3-octylperoxycarbonyl-benzoate CAS Name: 2,4,6-triiodo-3-[octyldioxy(oxo)methyl]benzoate IUPAC Name: 2,4,6-triiodo-3-octylperoxycarbonylbenzoate Traditional Name: 2,4,6-triiodo-3-octylperoxycarbonyl-benzoate Formula: C16H18I3O5- MolecularWeight: 671.02453

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOOC(=O)C1=C(C=C(C(=C1I)C(=O)[O-])I)I

Isomeric SMILES

CCCCCCCCOOC(=O)C1=C(C=C(C(=C1I)C(=O)[O-])I)I

InChI

InChI=1S/C16H19I3O5/c1-2-3-4-5-6-7-8-23-24-16(22)13-11(18)9-10(17)12(14(13)19)15(20)21/h9H,2-8H2,1H3,(H,20,21)/p-1