compound 0088953

Properties Image MNX_ID MNXM1184032 reference envipathM:...2f23c4b1a2e2 formula C12H6Cl6O5 global charge 0 mol weight 442.893 InChIKey XOQACVDIJLEGMH-UHFFFAOYSA-N InChI InChI=1S/C12H6Cl6O5/c13-5-6(14)11(16)7(20)4(10(5,15)12(11,17)18)9(22)2-1-3(19)23-8(9)21/h4,22H,1-2H2 SMILES O=C1CCC(O)(C2C(=O)C3(Cl)C(Cl)=C(Cl)C2(Cl)C3(Cl)Cl)C(=O)O1 MNX internals InChI (mnx) InChI=1/C12H6Cl6O5/c13-5-6(14)11(16)7(20)4(10(5,15)12(11,17)18)9(22)2-1-3(19)23-8(9)21/h4,22H,1-2H2/t4?,9?,10?,11? SMILES (mnx) [CH2:1]1[CH2:2][C:9]([CH:4]2[C:7](=[O:20])[C:11]3([Cl:16])[C:6]([Cl:14])=[C:5]([Cl:13])[C:10]2([Cl:15])[C:12]3([Cl:17])[Cl:18])([OH:22])[C:8](=[O:21])[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