3-aminocarbonyl-5-[ethanoyl(2-hydroxyethyl)amino]-2,4,6-tris(iodanyl)benzoic acid

Systemtic Name: 3-aminocarbonyl-5-[ethanoyl(2-hydroxyethyl)amino]-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-[acetyl(2-hydroxyethyl)amino]-5-carbamoyl-2,4,6-triiodo-benzoic acid CAS Name: 3-[acetyl(2-hydroxyethyl)amino]-5-carbamoyl-2,4,6-triiodobenzoic acid IUPAC Name: 3-[acetyl(2-hydroxyethyl)amino]-5-carbamoyl-2,4,6-triiodobenzoic acid Traditional Name: 3-[acetyl(2-hydroxyethyl)amino]-5-carbamoyl-2,4,6-triiodo-benzoic acid Formula: C12H11I3N2O5 MolecularWeight: 643.93955

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11I3N2O5/c1-4(19)17(2-3-18)10-8(14)5(11(16)20)7(13)6(9(10)15)12(21)22/h18H,2-3H2,1H3,(H2,16,20)(H,21,22)