sodium (2S)-2-azanyl-3-[2,3-bis(iodanyl)-4-(2-iodanyl-4-oxidanyl-phenoxy)phenyl]propanoate

Systemtic Name: sodium (2S)-2-azanyl-3-[2,3-bis(iodanyl)-4-(2-iodanyl-4-oxidanyl-phenoxy)phenyl]propanoate Openeye Name: sodium (2S)-2-amino-3-[4-(4-hydroxy-2-iodo-phenoxy)-2,3-diiodo-phenyl]propanoate CAS Name: sodium (2S)-2-amino-3-[4-(4-hydroxy-2-iodophenoxy)-2,3-diiodophenyl]propanoate IUPAC Name: sodium (2S)-2-amino-3-[4-(4-hydroxy-2-iodophenoxy)-2,3-diiodophenyl]propanoate Traditional Name: sodium (2S)-2-amino-3-[4-(4-hydroxy-2-iodo-phenoxy)-2,3-diiodo-phenyl]propionate Formula: C15H11I3NNaO4 MolecularWeight: 672.95532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1O)I)OC2=C(C(=C(C=C2)CC(C(=O)[O-])N)I)I.[Na+]

Isomeric SMILES

C1=CC(=C(C=C1O)I)OC2=C(C(=C(C=C2)C[C@@H](C(=O)[O-])N)I)I.[Na+]

InChI

InChI=1S/C15H12I3NO4.Na/c16-9-6-8(20)2-4-11(9)23-12-3-1-7(13(17)14(12)18)5-10(19)15(21)22;/h1-4,6,10,20H,5,19H2,(H,21,22);/q;+1/p-1/t10-;/m0./s1