sodium 2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate hydrate

CAS: 25416-65-3

Formula: C15H12I4NNaO5

SMILES: O.[Na+].NC(CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C([O-])=O

IUPAC: sodium 2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate hydrate

InChI: InChI=1/C15H11I4NO4.Na.H2O/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23;;/h1-2,4-5,12,21H,3,20H2,(H,22,23);;1H2/q;+1;/p-1

Composition: C (22.06%), H (1.48%), I (62.14%), N (1.71%), Na (2.81%), O (9.79%)

Molar Mass: 816.871

Atom Count: 38

Heavy Atom Count: 26