compound 0094068

Properties Image MNX_ID MNXM1175637 reference envipathM:...6176314f5eeb formula C12H11Cl5O6 global charge 0 mol weight 428.479 InChIKey ZUTLFXDJDMEMPH-UHFFFAOYSA-N InChI InChI=1S/C12H11Cl5O6/c13-3-4(14)10(17)7(15)9(3,16)11(21)2-1-8(20,12(10,11)22)5(18)6(19)23-2/h2-5,7,18,20-22H,1H2 SMILES O=C1OC2CC(O)(C1O)C1(O)C3(Cl)C(Cl)C(Cl)C(Cl)(C3Cl)C21O MNX internals InChI (mnx) InChI=1/C12H11Cl5O6/c13-3-4(14)10(17)7(15)9(3,16)11(21)2-1-8(20,12(10,11)22)5(18)6(19)23-2/h2-5,7,18,20-22H,1H2/t2?,3?,4?,5?,7?,8?,9?,10?,11?,12? SMILES (mnx) [CH2:1]1[CH:2]2[C:11]3([OH:21])[C:9]4([Cl:16])[CH:3]([Cl:13])[CH:4]([Cl:14])[C:10]([Cl:17])([CH:7]4[Cl:15])[C:12]3([OH:22])[C:8]1([OH:20])[CH:5]([OH:18])[C:6](=[O:19])[O:23]2

Parent-child relations graph

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