1-[3-acetamido-2,4,6-tris(iodanyl)phenyl]propan-2-yl hydrogen carbonate

Systemtic Name: 1-[3-acetamido-2,4,6-tris(iodanyl)phenyl]propan-2-yl hydrogen carbonate Openeye Name: [2-(3-acetamido-2,4,6-triiodo-phenyl)-1-methyl-ethyl] hydrogen carbonate CAS Name: carbonic acid 1-(3-acetamido-2,4,6-triiodophenyl)propan-2-yl ester IUPAC Name: 1-(3-acetamido-2,4,6-triiodophenyl)propan-2-yl hydrogen carbonate Traditional Name: carbonic acid [2-(3-acetamido-2,4,6-triiodo-phenyl)-1-methyl-ethyl] ester Formula: C12H12I3NO4 MolecularWeight: 614.94139

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C(C(=C(C=C1I)I)NC(=O)C)I)OC(=O)O

Isomeric SMILES

CC(CC1=C(C(=C(C=C1I)I)NC(=O)C)I)OC(=O)O

InChI

InChI=1S/C12H12I3NO4/c1-5(20-12(18)19)3-7-8(13)4-9(14)11(10(7)15)16-6(2)17/h4-5H,3H2,1-2H3,(H,16,17)(H,18,19)