compound 0096321

Properties Image MNX_ID MNXM1198431 reference envipathM:...e841d0c058de formula C12H11Cl5O6 global charge 0 mol weight 428.479 InChIKey SLMLEEJDXRVJEG-UHFFFAOYSA-N InChI InChI=1S/C12H11Cl5O6/c13-8-3-9(14,21)11(15,12(8,16)17)7(20)10(8,22)4-1-2-23-6(19)5(4)18/h4-5,18,21-22H,1-3H2 SMILES O=C1OCCC(C2(O)C(=O)C3(Cl)C(O)(Cl)CC2(Cl)C3(Cl)Cl)C1O MNX internals InChI (mnx) InChI=1/C12H11Cl5O6/c13-8-3-9(14,21)11(15,12(8,16)17)7(20)10(8,22)4-1-2-23-6(19)5(4)18/h4-5,18,21-22H,1-3H2/t4?,5?,8?,9?,10?,11? SMILES (mnx) [CH2:1]1[CH2:2][O:23][C:6](=[O:19])[CH:5]([OH:18])[CH:4]1[C:10]1([OH:22])[C:7](=[O:20])[C:11]2([Cl:15])[C:9]([Cl:14])([OH:21])[CH2:3][C:8]1([Cl:13])[C:12]2([Cl:16])[Cl:17]

Parent-child relations graph

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