compound 0095487

Properties Image MNX_ID MNXM1196959 reference envipathM:...25fdb1073bbc formula C12H8Cl5O6 global charge -1 mol weight 425.455 InChIKey PTSTYWKRCHORIF-UHFFFAOYSA-M InChI InChI=1S/C12H9Cl5O6/c13-4-2-8(14)5-3(18)1-9(22,6(19)7(20)21)11(5,23)10(4,15)12(8,16)17/h2-3,5,18,22-23H,1H2,(H,20,21)/p-1 SMILES O=C([O-])C(=O)C1(O)CC(O)C2C3(Cl)C=C(Cl)C(Cl)(C3(Cl)Cl)C21O MNX internals InChI (mnx) InChI=1/C12H9Cl5O6/c13-4-2-8(14)5-3(18)1-9(22,6(19)7(20)21)11(5,23)10(4,15)12(8,16)17/h2-3,5,18,22-23H,1H2,(H,20,21)/t3?,5?,8?,9?,10?,11? SMILES (mnx) [CH2:1]1[CH:3]([OH:18])[CH:5]2[C:8]3([Cl:14])[CH:2]=[C:4]([Cl:13])[C:10]([Cl:15])([C:11]2([OH:23])[C:9]1([C:6]([C:7]([OH:20])=[O:21])=[O:19])[OH:22])[C:12]3([Cl:16])[Cl:17]

Parent-child relations graph

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