3-azanyl-2,4,6-tris(iodanyl)-5-(pentanoylamino)benzoic acid

Systemtic Name: 3-azanyl-2,4,6-tris(iodanyl)-5-(pentanoylamino)benzoic acid Openeye Name: 3-amino-2,4,6-triiodo-5-(pentanoylamino)benzoic acid CAS Name: 3-amino-2,4,6-triiodo-5-(1-oxopentylamino)benzoic acid IUPAC Name: 3-amino-2,4,6-triiodo-5-(pentanoylamino)benzoic acid Traditional Name: 3-amino-2,4,6-triiodo-5-(valerylamino)benzoic acid Formula: C12H13I3N2O3 MolecularWeight: 613.95663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C(=C(C(=C1I)N)I)C(=O)O)I

Isomeric SMILES

CCCCC(=O)NC1=C(C(=C(C(=C1I)N)I)C(=O)O)I

InChI

InChI=1S/C12H13I3N2O3/c1-2-3-4-5(18)17-11-8(14)6(12(19)20)7(13)10(16)9(11)15/h2-4,16H2,1H3,(H,17,18)(H,19,20)