5-(2,3-diacetyloxypropanoylamino)-2,4,6-tris(iodanyl)benzene-1,3-dicarboxylic acid

Systemtic Name: 5-(2,3-diacetyloxypropanoylamino)-2,4,6-tris(iodanyl)benzene-1,3-dicarboxylic acid Openeye Name: 5-(2,3-diacetoxypropanoylamino)-2,4,6-triiodo-benzene-1,3-dicarboxylic acid CAS Name: 5-[(2,3-diacetyloxy-1-oxopropyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxylic acid IUPAC Name: 5-(2,3-diacetyloxypropanoylamino)-2,4,6-triiodobenzene-1,3-dicarboxylic acid Traditional Name: 5-(2,3-diacetoxypropanoylamino)-2,4,6-triiodo-isophthalic acid Formula: C15H12I3NO9 MolecularWeight: 730.97049

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)O)I)OC(=O)C

Isomeric SMILES

CC(=O)OCC(C(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)O)I)OC(=O)C

InChI

InChI=1S/C15H12I3NO9/c1-4(20)27-3-6(28-5(2)21)13(22)19-12-10(17)7(14(23)24)9(16)8(11(12)18)15(25)26/h6H,3H2,1-2H3,(H,19,22)(H,23,24)(H,25,26)