compound 0085171

Properties Image MNX_ID MNXM1178685 reference envipathM:...0241867bf702 formula C12H9Cl4O4 global charge -1 mol weight 359.012 InChIKey KFHRZAGYJCDFAR-UHFFFAOYSA-M InChI InChI=1S/C12H10Cl4O4/c13-6-5-8(14)11(16,9(6)15)7-3(2-17)1-4(10(18)19)12(5,7)20/h2-5,7-8,20H,1H2,(H,18,19)/p-1 SMILES O=CC1CC(C(=O)[O-])C2(O)C3C(Cl)=C(Cl)C(Cl)(C3Cl)C12 MNX internals InChI (mnx) InChI=1/C12H10Cl4O4/c13-6-5-8(14)11(16,9(6)15)7-3(2-17)1-4(10(18)19)12(5,7)20/h2-5,7-8,20H,1H2,(H,18,19)/t3?,4?,5?,7?,8?,11?,12? SMILES (mnx) [CH2:1]1[CH:3]([CH:2]=[O:17])[CH:7]2[C:11]3([Cl:16])[CH:8]([Cl:14])[CH:5]([C:6]([Cl:13])=[C:9]3[Cl:15])[C:12]2([OH:20])[CH:4]1[C:10](=[O:18])[OH:19]

Parent-child relations graph

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