2-hydroxyethyl 3-(diethanoylamino)-2,4,5-tris(iodanyl)benzoate

Systemtic Name: 2-hydroxyethyl 3-(diethanoylamino)-2,4,5-tris(iodanyl)benzoate Openeye Name: 2-hydroxyethyl 3-(diacetylamino)-2,4,5-triiodo-benzoate CAS Name: 3-(diacetylamino)-2,4,5-triiodobenzoic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 3-(diacetylamino)-2,4,5-triiodobenzoate Traditional Name: 3-(diacetylamino)-2,4,5-triiodo-benzoic acid 2-hydroxyethyl ester Formula: C13H12I3NO5 MolecularWeight: 642.95149

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=C(C(=CC(=C1I)I)C(=O)OCCO)I)C(=O)C

Isomeric SMILES

CC(=O)N(C1=C(C(=CC(=C1I)I)C(=O)OCCO)I)C(=O)C

InChI

InChI=1S/C13H12I3NO5/c1-6(19)17(7(2)20)12-10(15)8(5-9(14)11(12)16)13(21)22-4-3-18/h5,18H,3-4H2,1-2H3