Molecular Weight (g/mol)

1234

Molecular Formula

C24H24CaI6N4O4

InChI

InChI=1S/2C12H13I3N2O2.Ca/c2*1-17(2)6-16-12-9(14)5-8(13)7(11(12)15)3-4-10(18)19;/h2*5-6H,3-4H2,1-2H3,(H,18,19);/q;;+2/p-2

InChIKey

HVZGHKKROPCBDE-UHFFFAOYSA-L

SMILES

CN(C)C=NC1=C(C=C(C(=C1I)CCC(=O)[O-])I)I.CN(C)C=NC1=C(C=C(C(=C1I)CCC(=O)[O-])I)I.[Ca+2]

IUPAC Name

calcium;3-[3-(dimethylaminomethylideneamino)-2,4,6-triiodophenyl]propanoate

Exact Mass (Da)

1233.5692

Monoisotopic Mass (Da)

1233.5692