Bithionolate sodium (USAN)

Properties Image MNX_ID MNXM152864 reference keggD:D03135 formula C12H4Cl4Na2O2S global charge 0 mol weight 400.021 InChIKey FNYZFZRGBBCWBI-UHFFFAOYSA-L InChI InChI=1S/C12H6Cl4O2S.2Na/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18;;/h1-4,17-18H;;/q;2*+1/p-2 SMILES [Na+].[Na+].[O-]C1=C(Cl)C=C(Cl)C=C1SC1=C([O-])C(Cl)=CC(Cl)=C1 MNX internals InChI (mnx) InChI=1/C12H6Cl4O2S.2Na/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18;;/h1-4,17-18H;;/q;2*+1 SMILES (mnx) [CH:1]1=[C:5]([Cl:13])[CH:3]=[C:9]([S:19][C:10]2=[CH:4][C:6]([Cl:14])=[CH:2][C:8]([Cl:16])=[C:12]2[OH:18])[C:11]([OH:17])=[C:7]1[Cl:15].[Na+:20].[Na+:21]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0