compound 0081512

Properties Image MNX_ID MNXM1175670 reference envipathM:...4ecb08aa3ad0 formula C12H8Cl6O4 global charge 0 mol weight 428.91 InChIKey KXEQSAUFUQWHDF-UHFFFAOYSA-N InChI InChI=1S/C12H8Cl6O4/c13-5-6(14)11(16)4-3(10(5,15)12(11,17)18)2-1-9(4,21)8(20)22-7(2)19/h2-4,8,20-21H,1H2 SMILES O=C1OC(O)C2(O)CC1C1C2C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H8Cl6O4/c13-5-6(14)11(16)4-3(10(5,15)12(11,17)18)2-1-9(4,21)8(20)22-7(2)19/h2-4,8,20-21H,1H2/t2?,3?,4?,8?,9?,10?,11? SMILES (mnx) [CH2:1]1[CH:2]2[CH:3]3[CH:4]([C:9]1([OH:21])[CH:8]([OH:20])[O:22][C:7]2=[O:19])[C:11]1([Cl:16])[C:6]([Cl:14])=[C:5]([Cl:13])[C:10]3([Cl:15])[C:12]1([Cl:17])[Cl:18]

Parent-child relations graph

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