1-hexoxypropyl 3-acetamido-2,4,6-tris(iodanyl)benzoate

Systemtic Name: 1-hexoxypropyl 3-acetamido-2,4,6-tris(iodanyl)benzoate Openeye Name: 1-hexoxypropyl 3-acetamido-2,4,6-triiodo-benzoate CAS Name: 3-acetamido-2,4,6-triiodobenzoic acid 1-hexoxypropyl ester IUPAC Name: 1-hexoxypropyl 3-acetamido-2,4,6-triiodobenzoate Traditional Name: 3-acetamido-2,4,6-triiodo-benzoic acid 1-hexoxypropyl ester Formula: C18H24I3NO4 MolecularWeight: 699.10087

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(CC)OC(=O)C1=C(C(=C(C=C1I)I)NC(=O)C)I

Isomeric SMILES

CCCCCCOC(CC)OC(=O)C1=C(C(=C(C=C1I)I)NC(=O)C)I

InChI

InChI=1S/C18H24I3NO4/c1-4-6-7-8-9-25-14(5-2)26-18(24)15-12(19)10-13(20)17(16(15)21)22-11(3)23/h10,14H,4-9H2,1-3H3,(H,22,23)