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

Systemtic Name: 3-(hexanoylamino)-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)benzoic acid Openeye Name: 3-(hexanoylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid CAS Name: 2,4,6-triiodo-3-(methylcarbamoyl)-5-(1-oxohexylamino)benzoic acid IUPAC Name: 3-(hexanoylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid Traditional Name: 3-(caproylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid Formula: C15H17I3N2O4 MolecularWeight: 670.01989

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17I3N2O4/c1-3-4-5-6-7(21)20-13-11(17)8(14(22)19-2)10(16)9(12(13)18)15(23)24/h3-6H2,1-2H3,(H,19,22)(H,20,21)(H,23,24)