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

Systemtic Name: 3-acetamido-5-(hexanoylamino)-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-acetamido-5-(hexanoylamino)-2,4,6-triiodo-benzoic acid CAS Name: 3-acetamido-2,4,6-triiodo-5-(1-oxohexylamino)benzoic acid IUPAC Name: 3-acetamido-5-(hexanoylamino)-2,4,6-triiodobenzoic acid Traditional Name: 3-acetamido-5-(caproylamino)-2,4,6-triiodo-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)NC(=O)C)I)C(=O)O)I

Isomeric SMILES

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

InChI

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