compound 0084845

Properties Image MNX_ID MNXM1170203 reference envipathM:...98048d0874a1 formula C12H7Cl6O6 global charge -1 mol weight 459.9 InChIKey BSSFAKYQGBNDSB-UHFFFAOYSA-M InChI InChI=1S/C12H8Cl6O6/c13-5-6(14)10(16)11(24)4(9(5,15)12(10,17)18)2(1-8(11,22)23)3(19)7(20)21/h2,4,22-24H,1H2,(H,20,21)/p-1 SMILES O=C([O-])C(=O)C1CC(O)(O)C2(O)C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H8Cl6O6/c13-5-6(14)10(16)11(24)4(9(5,15)12(10,17)18)2(1-8(11,22)23)3(19)7(20)21/h2,4,22-24H,1H2,(H,20,21)/t2?,4?,9?,10?,11? SMILES (mnx) [CH2:1]1[CH:2]([C:3]([C:7]([OH:20])=[O:21])=[O:19])[CH:4]2[C:9]3([Cl:15])[C:5]([Cl:13])=[C:6]([Cl:14])[C:10]([Cl:16])([C:11]2([OH:24])[C:8]1([OH:22])[OH:23])[C:12]3([Cl:17])[Cl:18]

Parent-child relations graph

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