Molecular Weight (g/mol)

663

Molecular Formula

C15H17I3NNaO3

InChI

InChI=1S/C15H18I3NO3.Na/c1-3-5-12(20)19-14-11(17)7-10(16)9(13(14)18)6-8(4-2)15(21)22;/h7-8H,3-6H2,1-2H3,(H,19,20)(H,21,22);/q;+1/p-1

InChIKey

KTVKGXZZBQCBGD-UHFFFAOYSA-M

SMILES

CCCC(=O)NC1=C(C=C(C(=C1I)CC(CC)C(=O)[O-])I)I.[Na+]

IUPAC Name

sodium;2-[[3-(butanoylamino)-2,4,6-triiodophenyl]methyl]butanoate

Exact Mass (Da)

662.824

Monoisotopic Mass (Da)

662.824