Molecular Weight (g/mol)

1293.9

Molecular Formula

C24H20CaI6N4O8

InChI

InChI=1S/2C12H11I3N2O4.Ca/c2*1-4(18)16-10-7(13)6(12(20)21)8(14)11(9(10)15)17(3)5(2)19;/h2*1-3H3,(H,16,18)(H,20,21);/q;;+2/p-2

InChIKey

PPUUBZDQNSSJDN-UHFFFAOYSA-L

SMILES

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)N(C)C(=O)C)I.CC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)N(C)C(=O)C)I.[Ca+2]

IUPAC Name

calcium;3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoate

Exact Mass (Da)

1293.5175

Monoisotopic Mass (Da)

1293.5175