compound 0082959

Properties Image MNX_ID MNXM1193788 reference envipathM:...dd0a5427d603 formula C12H8Cl6O5 global charge 0 mol weight 444.909 InChIKey CVNBDPLCBLQLDT-UHFFFAOYSA-N InChI InChI=1S/C12H8Cl6O5/c13-4-5(14)11(16)8(21)23-7(10(4,15)12(11,17)18)9(22)2-1-3(19)6(9)20/h6-7,20,22H,1-2H2 SMILES O=C1CCC(O)(C2OC(=O)C3(Cl)C(Cl)=C(Cl)C2(Cl)C3(Cl)Cl)C1O MNX internals InChI (mnx) InChI=1/C12H8Cl6O5/c13-4-5(14)11(16)8(21)23-7(10(4,15)12(11,17)18)9(22)2-1-3(19)6(9)20/h6-7,20,22H,1-2H2/t6?,7?,9?,10?,11? SMILES (mnx) [CH2:1]1[CH2:2][C:9]([CH:7]2[C:10]3([Cl:15])[C:4]([Cl:13])=[C:5]([Cl:14])[C:11]([Cl:16])([C:8](=[O:21])[O:23]2)[C:12]3([Cl:17])[Cl:18])([OH:22])[CH:6]([OH:20])[C:3]1=[O:19]

Parent-child relations graph

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