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Amidotrizoic Acid Dihydrate

SZ CAT No SZ-A148001
CAS No 50978-11-5
Mol.F. C11H9I3N2O4 : 2(H2O)
Mol.Wt. 613.9 : 2(18.0)
Inv. Status Custom Synthesis
Rel. CAS No 117-96-4 (free base)


Chemical Name: 3,5-Bis(acetylamino)-2,4,6-triiodobenzoic acid dihydrate (as per EP)

Smiles: IC1=C(NC(C)=O)C(I)=C(C(O)=O)C(I)=C1NC(C)=O.[2H2O]

Inchi: InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,56-37-34(52)32(50)30(48)25(19-44)55-37)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(46)38(3,4)35(39)23(17-41(26,40)7)53-36-33(51)31(49)29(47)24(18-43)54-36/h10,21-37,43-52H,9,11-19H2,1-8H3/t21-,22+,23-,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36+,37-,39+,40+,41+,42-/m0/s1