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

Systemtic Name: ethyl 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate; 2-oxidanylbenzoic acid Openeye Name: ethyl 3,5-diacetamido-2,4,6-triiodo-benzoate; 2-hydroxybenzoic acid CAS Name: 3,5-diacetamido-2,4,6-triiodobenzoic acid ethyl ester; 2-hydroxybenzoic acid IUPAC Name: ethyl 3,5-diacetamido-2,4,6-triiodobenzoate; 2-hydroxybenzoic acid Traditional Name: 3,5-diacetamido-2,4,6-triiodo-benzoic acid ethyl ester; salicylic acid Formula: C20H19I3N2O7 MolecularWeight: 780.08747

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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)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)O

InChI

InChI=1S/C13H13I3N2O4.C7H6O3/c1-4-22-13(21)7-8(14)11(17-5(2)19)10(16)12(9(7)15)18-6(3)20;8-6-4-2-1-3-5(6)7(9)10/h4H2,1-3H3,(H,17,19)(H,18,20);1-4,8H,(H,9,10)