5-(3-acetyloxy-2-oxidanylidene-piperidin-1-yl)-2,4,6-tris(iodanyl)benzene-1,3-dicarboxylic acid

Systemtic Name: 5-(3-acetyloxy-2-oxidanylidene-piperidin-1-yl)-2,4,6-tris(iodanyl)benzene-1,3-dicarboxylic acid Openeye Name: 5-(3-acetoxy-2-oxo-1-piperidyl)-2,4,6-triiodo-benzene-1,3-dicarboxylic acid CAS Name: 5-(3-acetyloxy-2-oxo-1-piperidinyl)-2,4,6-triiodobenzene-1,3-dicarboxylic acid IUPAC Name: 5-(3-acetyloxy-2-oxopiperidin-1-yl)-2,4,6-triiodobenzene-1,3-dicarboxylic acid Traditional Name: 5-(3-acetoxy-2-keto-piperidino)-2,4,6-triiodo-isophthalic acid Formula: C15H12I3NO7 MolecularWeight: 698.97169

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCCN(C1=O)C2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)O)I

Isomeric SMILES

CC(=O)OC1CCCN(C1=O)C2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)O)I

InChI

InChI=1S/C15H12I3NO7/c1-5(20)26-6-3-2-4-19(13(6)21)12-10(17)7(14(22)23)9(16)8(11(12)18)15(24)25/h6H,2-4H2,1H3,(H,22,23)(H,24,25)