4-[[3,5-diacetamido-2,4,6-tris(iodanyl)phenyl]carbonyloxymethyl]benzoic acid

Systemtic Name: 4-[[3,5-diacetamido-2,4,6-tris(iodanyl)phenyl]carbonyloxymethyl]benzoic acid Openeye Name: 4-[(3,5-diacetamido-2,4,6-triiodo-benzoyl)oxymethyl]benzoic acid CAS Name: 4-[[(3,5-diacetamido-2,4,6-triiodophenyl)-oxomethoxy]methyl]benzoic acid IUPAC Name: 4-[(3,5-diacetamido-2,4,6-triiodobenzoyl)oxymethyl]benzoic acid Traditional Name: 4-[(3,5-diacetamido-2,4,6-triiodo-benzoyl)oxymethyl]benzoic acid Formula: C19H15I3N2O6 MolecularWeight: 748.04561

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)OCC2=CC=C(C=C2)C(=O)O)I)NC(=O)C)I

Isomeric SMILES

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)OCC2=CC=C(C=C2)C(=O)O)I)NC(=O)C)I

InChI

InChI=1S/C19H15I3N2O6/c1-8(25)23-16-13(20)12(14(21)17(15(16)22)24-9(2)26)19(29)30-7-10-3-5-11(6-4-10)18(27)28/h3-6H,7H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)