compound 0085902

Properties Image MNX_ID MNXM1173708 reference envipathM:...768940ebe932 formula C12H7Cl6O5 global charge -1 mol weight 443.901 InChIKey MBEGLZPXFSJVFJ-UHFFFAOYSA-M InChI InChI=1S/C12H8Cl6O5/c13-7-8(14)11(16)9(23)6(10(7,15)12(11,17)18)3(1-5(21)22)4(20)2-19/h2-3,6,9,23H,1H2,(H,21,22)/p-1 SMILES O=CC(=O)C(CC(=O)[O-])C1C(O)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H8Cl6O5/c13-7-8(14)11(16)9(23)6(10(7,15)12(11,17)18)3(1-5(21)22)4(20)2-19/h2-3,6,9,23H,1H2,(H,21,22)/t3?,6?,9?,10?,11? SMILES (mnx) [CH2:1]([CH:3]([C:4]([CH:2]=[O:19])=[O:20])[CH:6]1[CH:9]([OH:23])[C:11]2([Cl:16])[C:8]([Cl:14])=[C:7]([Cl:13])[C:10]1([Cl:15])[C:12]2([Cl:17])[Cl:18])[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