compound 0092658

Properties Image MNX_ID MNXM1172483 reference envipathM:...d06dc6cee333 formula C12H11Cl5O6 global charge 0 mol weight 428.479 InChIKey GVTLBVQIAHJYNJ-UHFFFAOYSA-N InChI InChI=1S/C12H11Cl5O6/c13-6-10(15)4(9(21)2-1-3(18)23-8(9)20)5(19)11(6,16)12(17,22)7(10)14/h4,6-8,20-22H,1-2H2 SMILES O=C1CCC(O)(C2C(=O)C3(Cl)C(Cl)C2(Cl)C(Cl)C3(O)Cl)C(O)O1 MNX internals InChI (mnx) InChI=1/C12H11Cl5O6/c13-6-10(15)4(9(21)2-1-3(18)23-8(9)20)5(19)11(6,16)12(17,22)7(10)14/h4,6-8,20-22H,1-2H2/t4?,6?,7?,8?,9?,10?,11?,12? SMILES (mnx) [CH2:1]1[CH2:2][C:9]([CH:4]2[C:5](=[O:19])[C:11]3([Cl:16])[CH:6]([Cl:13])[C:10]2([Cl:15])[CH:7]([Cl:14])[C:12]3([Cl:17])[OH:22])([OH:21])[CH:8]([OH:20])[O:23][C:3]1=[O:18]

Parent-child relations graph

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