compound 0084789

Properties Image MNX_ID MNXM1179052 reference envipathM:...fd0fe329207d formula C12H8Cl4O4 global charge 0 mol weight 358.004 InChIKey VGQBZLQOXPSNKH-UHFFFAOYSA-N InChI InChI=1S/C12H8Cl4O4/c13-6-5-4-2-1-3(8(18)7(2)17)10(4,19)11(20,9(6)14)12(5,15)16/h2-5,19-20H,1H2 SMILES O=C1C(=O)C2CC1C1C3C(Cl)=C(Cl)C(O)(C3(Cl)Cl)C21O MNX internals InChI (mnx) InChI=1/C12H8Cl4O4/c13-6-5-4-2-1-3(8(18)7(2)17)10(4,19)11(20,9(6)14)12(5,15)16/h2-5,19-20H,1H2/t2?,3?,4?,5?,10?,11? SMILES (mnx) [CH2:1]1[CH:2]2[CH:4]3[CH:5]4[C:6]([Cl:13])=[C:9]([Cl:14])[C:11]([OH:20])([C:10]3([OH:19])[CH:3]1[C:8](=[O:18])[C:7]2=[O:17])[C:12]4([Cl:15])[Cl:16]

Parent-child relations graph

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