3-acetamido-5-[ethanoyl-(6-ethoxy-6-oxidanylidene-hexyl)amino]-2,4,6-tris(iodanyl)benzoic acid

Systemtic Name: 3-acetamido-5-[ethanoyl-(6-ethoxy-6-oxidanylidene-hexyl)amino]-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-acetamido-5-[acetyl-(6-ethoxy-6-oxo-hexyl)amino]-2,4,6-triiodo-benzoic acid CAS Name: 3-acetamido-5-[acetyl-(6-ethoxy-6-oxohexyl)amino]-2,4,6-triiodobenzoic acid IUPAC Name: 3-acetamido-5-[acetyl-(6-ethoxy-6-oxohexyl)amino]-2,4,6-triiodobenzoic acid Traditional Name: 3-acetamido-5-[acetyl-(6-ethoxy-6-keto-hexyl)amino]-2,4,6-triiodo-benzoic acid Formula: C19H23I3N2O6 MolecularWeight: 756.10913

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCN(C1=C(C(=C(C(=C1I)NC(=O)C)I)C(=O)O)I)C(=O)C

Isomeric SMILES

CCOC(=O)CCCCCN(C1=C(C(=C(C(=C1I)NC(=O)C)I)C(=O)O)I)C(=O)C

InChI

InChI=1S/C19H23I3N2O6/c1-4-30-12(27)8-6-5-7-9-24(11(3)26)18-15(21)13(19(28)29)14(20)17(16(18)22)23-10(2)25/h4-9H2,1-3H3,(H,23,25)(H,28,29)