Molecular Weight (g/mol)

672.95

Molecular Formula

C15H11I3NNaO4

InChI

InChI=1S/C15H12I3NO4.Na/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22;/h1-4,6,12,20H,5,19H2,(H,21,22);/q;+1/p-1/t12-;/m0./s1

InChIKey

SBXXSUDPJJJJLC-YDALLXLXSA-M

SMILES

C1=CC(=C(C=C1OC2=C(C=C(C=C2I)C[C@@H](C(=O)[O-])N)I)I)O.[Na+]

IUPAC Name

sodium;(2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoate

Exact Mass (Da)

672.772

Monoisotopic Mass (Da)

672.772