3-(6-azanylhexanoylamino)-2,4,6-tris(iodanyl)benzoic acid

Systemtic Name: 3-(6-azanylhexanoylamino)-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-(6-aminohexanoylamino)-2,4,6-triiodo-benzoic acid CAS Name: 3-[(6-amino-1-oxohexyl)amino]-2,4,6-triiodobenzoic acid IUPAC Name: 3-(6-aminohexanoylamino)-2,4,6-triiodobenzoic acid Traditional Name: 3-(6-aminohexanoylamino)-2,4,6-triiodo-benzoic acid Formula: C13H15I3N2O3 MolecularWeight: 627.98321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15I3N2O3/c14-7-6-8(15)12(11(16)10(7)13(20)21)18-9(19)4-2-1-3-5-17/h6H,1-5,17H2,(H,18,19)(H,20,21)