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

Systemtic Name: 3-acetamido-5-(heptanoylamino)-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-acetamido-5-(heptanoylamino)-2,4,6-triiodo-benzoic acid CAS Name: 3-acetamido-2,4,6-triiodo-5-(1-oxoheptylamino)benzoic acid IUPAC Name: 3-acetamido-5-(heptanoylamino)-2,4,6-triiodobenzoic acid Traditional Name: 3-acetamido-5-(enanthylamino)-2,4,6-triiodo-benzoic acid Formula: C16H19I3N2O4 MolecularWeight: 684.04647

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19I3N2O4/c1-3-4-5-6-7-9(23)21-15-12(18)10(16(24)25)11(17)14(13(15)19)20-8(2)22/h3-7H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)