compound 0091462

Properties Image MNX_ID MNXM1195739 reference envipathM:...4575c6391510 formula C12H11Cl4O6 global charge -1 mol weight 393.026 InChIKey WMBZDADQSPGHAJ-UHFFFAOYSA-M InChI InChI=1S/C12H12Cl4O6/c13-5-6(14)10(16)2-9(5,15)4-3(7(17)18)1-11(21,8(19)20)12(4,10)22/h3-4,8,19-22H,1-2H2,(H,17,18)/p-1 SMILES O=C([O-])C1CC(O)(C(O)O)C2(O)C1C1(Cl)CC2(Cl)C(Cl)=C1Cl MNX internals InChI (mnx) InChI=1/C12H12Cl4O6/c13-5-6(14)10(16)2-9(5,15)4-3(7(17)18)1-11(21,8(19)20)12(4,10)22/h3-4,8,19-22H,1-2H2,(H,17,18)/t3?,4?,9?,10?,11?,12? SMILES (mnx) [CH2:1]1[CH:3]([C:7](=[O:17])[OH:18])[CH:4]2[C:9]3([Cl:15])[CH2:2][C:10]([Cl:16])([C:6]([Cl:14])=[C:5]3[Cl:13])[C:12]2([OH:22])[C:11]1([CH:8]([OH:19])[OH:20])[OH:21]

Parent-child relations graph

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