(phenylmethyl) 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate

Systemtic Name: (phenylmethyl) 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate Openeye Name: benzyl 3,5-diacetamido-2,4,6-triiodo-benzoate CAS Name: 3,5-diacetamido-2,4,6-triiodobenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3,5-diacetamido-2,4,6-triiodobenzoate Traditional Name: 3,5-diacetamido-2,4,6-triiodo-benzoic acid benzyl ester Formula: C18H15I3N2O4 MolecularWeight: 704.03611

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15I3N2O4/c1-9(24)22-16-13(19)12(14(20)17(15(16)21)23-10(2)25)18(26)27-8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,22,24)(H,23,25)