compound 0084844

Properties Image MNX_ID MNXM1181836 reference envipathM:...0ee834aa5c1d formula C12H6Cl6O5 global charge 0 mol weight 442.893 InChIKey BOLXNMIKBMSNAQ-UHFFFAOYSA-N InChI InChI=1S/C12H6Cl6O5/c13-6-7(14)11(16)8(21)4(10(6,15)12(11,17)18)2-1-3(19)23-9(22)5(2)20/h2,4-5,20H,1H2 SMILES O=C1CC(C2C(=O)C3(Cl)C(Cl)=C(Cl)C2(Cl)C3(Cl)Cl)C(O)C(=O)O1 MNX internals InChI (mnx) InChI=1/C12H6Cl6O5/c13-6-7(14)11(16)8(21)4(10(6,15)12(11,17)18)2-1-3(19)23-9(22)5(2)20/h2,4-5,20H,1H2/t2?,4?,5?,10?,11? SMILES (mnx) [CH2:1]1[CH:2]([CH:4]2[C:8](=[O:21])[C:11]3([Cl:16])[C:7]([Cl:14])=[C:6]([Cl:13])[C:10]2([Cl:15])[C:12]3([Cl:17])[Cl:18])[CH:5]([OH:20])[C:9](=[O:22])[O:23][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