compound 0089572

Properties Image MNX_ID MNXM1193614 reference envipathM:...80b1b9489d7f formula C12H10Cl4O5 global charge 0 mol weight 376.019 InChIKey HFPDWFDWIUFWRH-UHFFFAOYSA-N InChI InChI=1S/C12H10Cl4O5/c13-4-2-10(14)9-5(21-7(19)3-17)1-6(18)11(9,20)8(4)12(10,15)16/h2,5,8-9,17,20H,1,3H2 SMILES O=C(CO)OC1CC(=O)C2(O)C3C(Cl)=CC(Cl)(C12)C3(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H10Cl4O5/c13-4-2-10(14)9-5(21-7(19)3-17)1-6(18)11(9,20)8(4)12(10,15)16/h2,5,8-9,17,20H,1,3H2/t5?,8?,9?,10?,11? SMILES (mnx) [CH2:1]1[CH:5]([O:21][C:7]([CH2:3][OH:17])=[O:19])[CH:9]2[C:10]3([Cl:14])[CH:2]=[C:4]([Cl:13])[CH:8]([C:11]2([OH:20])[C:6]1=[O:18])[C:12]3([Cl:15])[Cl:16]

Parent-child relations graph

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