compound 0085321

Properties Image MNX_ID MNXM1178913 reference envipathM:...135b0c74f3af formula C12H8Cl6O4 global charge 0 mol weight 428.91 InChIKey VYBCNKVLQLEVLI-UHFFFAOYSA-N InChI InChI=1S/C12H8Cl6O4/c13-7-8(14)11(16)6-5(10(7,15)12(11,17)18)3(4(20)1-19)2-22-9(6)21/h1,3,5-8H,2H2 SMILES O=CC(=O)C1COC(=O)C2C1C1(Cl)C(Cl)C(Cl)C2(Cl)C1(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H8Cl6O4/c13-7-8(14)11(16)6-5(10(7,15)12(11,17)18)3(4(20)1-19)2-22-9(6)21/h1,3,5-8H,2H2/t3?,5?,6?,7?,8?,10?,11? SMILES (mnx) [CH:1]([C:4]([CH:3]1[CH2:2][O:22][C:9](=[O:21])[CH:6]2[CH:5]1[C:10]1([Cl:15])[CH:7]([Cl:13])[CH:8]([Cl:14])[C:11]2([Cl:16])[C:12]1([Cl:17])[Cl:18])=[O:20])=[O:19]

Parent-child relations graph

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