3-(butanoylamino)-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)benzoic acid

Systemtic Name: 3-(butanoylamino)-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)benzoic acid Openeye Name: 3-(butanoylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid CAS Name: 2,4,6-triiodo-3-(methylcarbamoyl)-5-(1-oxobutylamino)benzoic acid IUPAC Name: 3-(butanoylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid Traditional Name: 3-butyramido-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid Formula: C13H13I3N2O4 MolecularWeight: 641.96673

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NC)I

Isomeric SMILES

CCCC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NC)I

InChI

InChI=1S/C13H13I3N2O4/c1-3-4-5(19)18-11-9(15)6(12(20)17-2)8(14)7(10(11)16)13(21)22/h3-4H2,1-2H3,(H,17,20)(H,18,19)(H,21,22)