compound 0093222

Properties Image MNX_ID MNXM1170118 reference envipathM:...d8bbea7a7352 formula C12H9Cl5O6 global charge 0 mol weight 426.463 InChIKey SCNVOHMOFWIOMT-UHFFFAOYSA-N InChI InChI=1S/C12H9Cl5O6/c13-5-2-8(14)11(22)7(10(5,15)12(8,16)17)4(19)1-9(11,21)23-6(20)3-18/h2,7,18,21-22H,1,3H2 SMILES O=C(CO)OC1(O)CC(=O)C2C3(Cl)C(Cl)=CC(Cl)(C3(Cl)Cl)C21O MNX internals InChI (mnx) InChI=1/C12H9Cl5O6/c13-5-2-8(14)11(22)7(10(5,15)12(8,16)17)4(19)1-9(11,21)23-6(20)3-18/h2,7,18,21-22H,1,3H2/t7?,8?,9?,10?,11? SMILES (mnx) [CH2:1]1[C:4](=[O:19])[CH:7]2[C:10]3([Cl:15])[C:5]([Cl:13])=[CH:2][C:8]([Cl:14])([C:11]2([OH:22])[C:9]1([OH:21])[O:23][C:6]([CH2:3][OH:18])=[O:20])[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