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

Systemtic Name: phenacyl 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate Openeye Name: phenacyl 3,5-diacetamido-2,4,6-triiodo-benzoate CAS Name: 3,5-diacetamido-2,4,6-triiodobenzoic acid phenacyl ester IUPAC Name: phenacyl 3,5-diacetamido-2,4,6-triiodobenzoate Traditional Name: 3,5-diacetamido-2,4,6-triiodo-benzoic acid phenacyl ester Formula: C19H15I3N2O5 MolecularWeight: 732.04621

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15I3N2O5/c1-9(25)23-17-14(20)13(15(21)18(16(17)22)24-10(2)26)19(28)29-8-12(27)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,23,25)(H,24,26)