2-azanyl-3-(dimethylamino)-2-[2,4,6-tris(iodanyl)phenyl]butanoic acid

Systemtic Name: 2-azanyl-3-(dimethylamino)-2-[2,4,6-tris(iodanyl)phenyl]butanoic acid Openeye Name: 2-amino-3-(dimethylamino)-2-(2,4,6-triiodophenyl)butanoic acid CAS Name: 2-amino-3-(dimethylamino)-2-(2,4,6-triiodophenyl)butanoic acid IUPAC Name: 2-amino-3-(dimethylamino)-2-(2,4,6-triiodophenyl)butanoic acid Traditional Name: 2-amino-3-(dimethylamino)-2-(2,4,6-triiodophenyl)butyric acid Formula: C12H15I3N2O2 MolecularWeight: 599.97311

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=C(C=C(C=C1I)I)I)(C(=O)O)N)N(C)C

Isomeric SMILES

CC(C(C1=C(C=C(C=C1I)I)I)(C(=O)O)N)N(C)C

InChI

InChI=1S/C12H15I3N2O2/c1-6(17(2)3)12(16,11(18)19)10-8(14)4-7(13)5-9(10)15/h4-6H,16H2,1-3H3,(H,18,19)