compound 0096058

Properties Image MNX_ID MNXM1177494 reference envipathM:...e0a0642eaf44 formula C12H6Cl6O6 global charge 0 mol weight 458.892 InChIKey XSHNBFLRRFKSQT-UHFFFAOYSA-N InChI InChI=1S/C12H6Cl6O6/c13-5-6(14)11(16)10(23,8(22)9(5,15)12(11,17)18)2-1-24-7(21)4(20)3(2)19/h2-3,19,23H,1H2 SMILES O=C1OCC(C2(O)C(=O)C3(Cl)C(Cl)=C(Cl)C2(Cl)C3(Cl)Cl)C(O)C1=O MNX internals InChI (mnx) InChI=1/C12H6Cl6O6/c13-5-6(14)11(16)10(23,8(22)9(5,15)12(11,17)18)2-1-24-7(21)4(20)3(2)19/h2-3,19,23H,1H2/t2?,3?,9?,10?,11? SMILES (mnx) [CH2:1]1[CH:2]([C:10]2([OH:23])[C:8](=[O:22])[C:9]3([Cl:15])[C:5]([Cl:13])=[C:6]([Cl:14])[C:11]2([Cl:16])[C:12]3([Cl:17])[Cl:18])[CH:3]([OH:19])[C:4](=[O:20])[C:7](=[O:21])[O:24]1

Parent-child relations graph

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