compound 0088935

Properties Image MNX_ID MNXM1195152 reference envipathM:...aff2e4c7ec08 formula C12H9Cl5O4 global charge 0 mol weight 394.465 InChIKey SGFOFENLRNNZFV-UHFFFAOYSA-N InChI InChI=1S/C12H9Cl5O4/c13-3-6-11(21)5(10(15,7(3)14)12(6,16)17)2-1-9(11,20)8(19)4(2)18/h2-3,5-7,20-21H,1H2 SMILES O=C1C(=O)C2(O)CC1C1C2(O)C2C(Cl)C(Cl)C1(Cl)C2(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H9Cl5O4/c13-3-6-11(21)5(10(15,7(3)14)12(6,16)17)2-1-9(11,20)8(19)4(2)18/h2-3,5-7,20-21H,1H2/t2?,3?,5?,6?,7?,9?,10?,11? SMILES (mnx) [CH2:1]1[CH:2]2[C:4](=[O:18])[C:8](=[O:19])[C:9]1([OH:20])[C:11]1([OH:21])[CH:5]2[C:10]2([Cl:15])[CH:7]([Cl:14])[CH:3]([Cl:13])[CH:6]1[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