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

Systemtic Name: phenyl 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate Openeye Name: phenyl 3,5-diacetamido-2,4,6-triiodo-benzoate CAS Name: 3,5-diacetamido-2,4,6-triiodobenzoic acid phenyl ester IUPAC Name: phenyl 3,5-diacetamido-2,4,6-triiodobenzoate Traditional Name: 3,5-diacetamido-2,4,6-triiodo-benzoic acid phenyl ester Formula: C17H13I3N2O4 MolecularWeight: 690.00953

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)OC2=CC=CC=C2)I)NC(=O)C)I

Isomeric SMILES

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)OC2=CC=CC=C2)I)NC(=O)C)I

InChI

InChI=1S/C17H13I3N2O4/c1-8(23)21-15-12(18)11(13(19)16(14(15)20)22-9(2)24)17(25)26-10-6-4-3-5-7-10/h3-7H,1-2H3,(H,21,23)(H,22,24)