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benzoic acid; ethyl 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate

benzoic acid; ethyl 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate

Systemtic Name:benzoic acid; ethyl 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate
Openeye Name:benzoic acid; ethyl 3,5-diacetamido-2,4,6-triiodo-benzoate
CAS Name:benzoic acid; 3,5-diacetamido-2,4,6-triiodobenzoic acid ethyl ester
IUPAC Name:benzoic acid; ethyl 3,5-diacetamido-2,4,6-triiodobenzoate
Traditional Name:benzoic acid; 3,5-diacetamido-2,4,6-triiodo-benzoic acid ethyl ester
Formula: C20H19I3N2O6
MolecularWeight: 764.08807
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)NC(=O)C)I.C1=CC=C(C=C1)C(=O)O


Isomeric SMILES

CCOC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)NC(=O)C)I.C1=CC=C(C=C1)C(=O)O


InChI

InChI=1S/C13H13I3N2O4.C7H6O2/c1-4-22-13(21)7-8(14)11(17-5(2)19)10(16)12(9(7)15)18-6(3)20;8-7(9)6-4-2-1-3-5-6/h4H2,1-3H3,(H,17,19)(H,18,20);1-5H,(H,8,9)


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