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

Systemtic Name: (4-propoxycarbonylphenyl) 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate Openeye Name: (4-propoxycarbonylphenyl) 3,5-diacetamido-2,4,6-triiodo-benzoate CAS Name: 3,5-diacetamido-2,4,6-triiodobenzoic acid [4-[oxo(propoxy)methyl]phenyl] ester IUPAC Name: (4-propoxycarbonylphenyl) 3,5-diacetamido-2,4,6-triiodobenzoate Traditional Name: 3,5-diacetamido-2,4,6-triiodo-benzoic acid (4-propoxycarbonylphenyl) ester Formula: C21H19I3N2O6 MolecularWeight: 776.09877

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=C(C(=C(C(=C2I)NC(=O)C)I)NC(=O)C)I

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=C(C(=C(C(=C2I)NC(=O)C)I)NC(=O)C)I

InChI

InChI=1S/C21H19I3N2O6/c1-4-9-31-20(29)12-5-7-13(8-6-12)32-21(30)14-15(22)18(25-10(2)27)17(24)19(16(14)23)26-11(3)28/h5-8H,4,9H2,1-3H3,(H,25,27)(H,26,28)