[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 3,5-diacetamido-2,4,6-triiodo-benzoate CAS Name: 3,5-diacetamido-2,4,6-triiodobenzoic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 3,5-diacetamido-2,4,6-triiodobenzoate Traditional Name: 3,5-diacetamido-2,4,6-triiodo-benzoic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C20H17I3N2O5 MolecularWeight: 746.07279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C(=C(C(=C2I)NC(=O)C)I)NC(=O)C)I

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C(=C(C(=C2I)NC(=O)C)I)NC(=O)C)I

InChI

InChI=1S/C20H17I3N2O5/c1-9-4-6-12(7-5-9)13(28)8-30-20(29)14-15(21)18(24-10(2)26)17(23)19(16(14)22)25-11(3)27/h4-7H,8H2,1-3H3,(H,24,26)(H,25,27)