compound 0092628

Properties Image MNX_ID MNXM1175187 reference envipathM:...6e2d4f3938cc formula C12H10Cl4O5 global charge 0 mol weight 376.019 InChIKey MSNCEOGJKUYTTM-UHFFFAOYSA-N InChI InChI=1S/C12H10Cl4O5/c13-5-4-6(14)11(16,7(5)15)9(19)12(4,21)10(20)2-1-3(17)8(10)18/h4,6,8,18,20-21H,1-2H2 SMILES O=C1CCC(O)(C2(O)C(=O)C3(Cl)C(Cl)=C(Cl)C2C3Cl)C1O MNX internals InChI (mnx) InChI=1/C12H10Cl4O5/c13-5-4-6(14)11(16,7(5)15)9(19)12(4,21)10(20)2-1-3(17)8(10)18/h4,6,8,18,20-21H,1-2H2/t4?,6?,8?,10?,11?,12? SMILES (mnx) [CH2:1]1[CH2:2][C:10]([C:12]2([OH:21])[CH:4]3[C:5]([Cl:13])=[C:7]([Cl:15])[C:11]([Cl:16])([CH:6]3[Cl:14])[C:9]2=[O:19])([OH:20])[CH:8]([OH:18])[C:3]1=[O:17]

Parent-child relations graph

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