compound 0086565

Properties Image MNX_ID MNXM1194803 reference envipathM:...03f6fed0081b formula C12H6Cl6O5 global charge 0 mol weight 442.893 InChIKey BGVLPPZUWMTELB-UHFFFAOYSA-N InChI InChI=1S/C12H6Cl6O5/c13-4-5(14)10(16)11(23,7(21)9(4,15)12(10,17)18)8(22)2-1-3(19)6(8)20/h22-23H,1-2H2 SMILES O=C1CCC(O)(C2(O)C(=O)C3(Cl)C(Cl)=C(Cl)C2(Cl)C3(Cl)Cl)C1=O MNX internals InChI (mnx) InChI=1/C12H6Cl6O5/c13-4-5(14)10(16)11(23,7(21)9(4,15)12(10,17)18)8(22)2-1-3(19)6(8)20/h22-23H,1-2H2/t8?,9?,10?,11? SMILES (mnx) [CH2:1]1[CH2:2][C:8]([C:11]2([OH:23])[C:7](=[O:21])[C:9]3([Cl:15])[C:4]([Cl:13])=[C:5]([Cl:14])[C:10]2([Cl:16])[C:12]3([Cl:17])[Cl:18])([OH:22])[C:6](=[O:20])[C:3]1=[O:19]

Parent-child relations graph

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