compound 0088249

Properties Image MNX_ID MNXM1178788 reference envipathM:...51723d6634e7 formula C12H9Cl5O4 global charge 0 mol weight 394.465 InChIKey GLNFIYDSBUDXEC-UHFFFAOYSA-N InChI InChI=1S/C12H9Cl5O4/c13-4-2-9(14)11(20)5-1-3(6(18)8(19)21-5)7(11)10(4,15)12(9,16)17/h3-5,7,20H,1-2H2 SMILES O=C1OC2CC(C1=O)C1C2(O)C2(Cl)CC(Cl)C1(Cl)C2(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H9Cl5O4/c13-4-2-9(14)11(20)5-1-3(6(18)8(19)21-5)7(11)10(4,15)12(9,16)17/h3-5,7,20H,1-2H2/t3?,4?,5?,7?,9?,10?,11? SMILES (mnx) [CH2:1]1[CH:3]2[C:6](=[O:18])[C:8](=[O:19])[O:21][CH:5]1[C:11]1([OH:20])[CH:7]2[C:10]2([Cl:15])[CH:4]([Cl:13])[CH2:2][C:9]1([Cl:14])[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