compound 0088445

Properties Image MNX_ID MNXM1175053 reference envipathM:...97caf80dbc58 formula C12H8Cl6O6 global charge 0 mol weight 460.908 InChIKey BMCKQVZUCONXKS-UHFFFAOYSA-N InChI InChI=1S/C12H8Cl6O6/c13-4-5(14)11(16)8(22)24-7(10(4,15)12(11,17)18)9(23)3(20)1-2(19)6(9)21/h3,6-7,20-21,23H,1H2 SMILES O=C1CC(O)C(O)(C2OC(=O)C3(Cl)C(Cl)=C(Cl)C2(Cl)C3(Cl)Cl)C1O MNX internals InChI (mnx) InChI=1/C12H8Cl6O6/c13-4-5(14)11(16)8(22)24-7(10(4,15)12(11,17)18)9(23)3(20)1-2(19)6(9)21/h3,6-7,20-21,23H,1H2/t3?,6?,7?,9?,10?,11? SMILES (mnx) [CH2:1]1[C:2](=[O:19])[CH:6]([OH:21])[C:9]([CH:7]2[C:10]3([Cl:15])[C:4]([Cl:13])=[C:5]([Cl:14])[C:11]([Cl:16])([C:8](=[O:22])[O:24]2)[C:12]3([Cl:17])[Cl:18])([OH:23])[CH:3]1[OH:20]

Parent-child relations graph

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