compound 0090513

Properties Image MNX_ID MNXM1196745 reference envipathM:...397c24d58801 formula C12H7Cl6O6 global charge -1 mol weight 459.9 InChIKey ZSWMWMMTWNBEHJ-UHFFFAOYSA-M InChI InChI=1S/C12H8Cl6O6/c13-6-7(14)11(16)9(23)24-8(10(6,15)12(11,17)18)3(2-19)4(20)1-5(21)22/h2-4,8,20H,1H2,(H,21,22)/p-1 SMILES O=CC(C(O)CC(=O)[O-])C1OC(=O)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H8Cl6O6/c13-6-7(14)11(16)9(23)24-8(10(6,15)12(11,17)18)3(2-19)4(20)1-5(21)22/h2-4,8,20H,1H2,(H,21,22)/t3?,4?,8?,10?,11? SMILES (mnx) [CH2:1]([CH:4]([CH:3]([CH:2]=[O:19])[CH:8]1[C:10]2([Cl:15])[C:6]([Cl:13])=[C:7]([Cl:14])[C:11]([Cl:16])([C:9](=[O:23])[O:24]1)[C:12]2([Cl:17])[Cl:18])[OH:20])[C:5](=[O:21])[OH:22]

Parent-child relations graph

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