2-[3-azanyl-2,4,6-tris(iodanyl)phenyl]carbonyloxy-2-ethyl-butanoate

Systemtic Name: 2-[3-azanyl-2,4,6-tris(iodanyl)phenyl]carbonyloxy-2-ethyl-butanoate Openeye Name: 2-(3-amino-2,4,6-triiodo-benzoyl)oxy-2-ethyl-butanoate CAS Name: 2-[(3-amino-2,4,6-triiodophenyl)-oxomethoxy]-2-ethylbutanoate IUPAC Name: 2-(3-amino-2,4,6-triiodobenzoyl)oxy-2-ethylbutanoate Traditional Name: 2-(3-amino-2,4,6-triiodo-benzoyl)oxy-2-ethyl-butyrate Formula: C13H13I3NO4- MolecularWeight: 627.96003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)[O-])OC(=O)C1=C(C(=C(C=C1I)I)N)I

Isomeric SMILES

CCC(CC)(C(=O)[O-])OC(=O)C1=C(C(=C(C=C1I)I)N)I

InChI

InChI=1S/C13H14I3NO4/c1-3-13(4-2,12(19)20)21-11(18)8-6(14)5-7(15)10(17)9(8)16/h5H,3-4,17H2,1-2H3,(H,19,20)/p-1