compound 0087355

Properties Image MNX_ID MNXM1193995 reference envipathM:...fcf6183c5104 formula C12H8Cl6O6 global charge 0 mol weight 460.908 InChIKey XJMMRFRPYSFAIQ-UHFFFAOYSA-N InChI InChI=1S/C12H8Cl6O6/c13-4-5(14)11(16)12(17,18)9(4,15)10(23,7(21)24-11)8(22)2-1-3(19)6(8)20/h6,20,22-23H,1-2H2 SMILES O=C1CCC(O)(C2(O)C(=O)OC3(Cl)C(Cl)=C(Cl)C2(Cl)C3(Cl)Cl)C1O MNX internals InChI (mnx) InChI=1/C12H8Cl6O6/c13-4-5(14)11(16)12(17,18)9(4,15)10(23,7(21)24-11)8(22)2-1-3(19)6(8)20/h6,20,22-23H,1-2H2/t6?,8?,9?,10?,11? SMILES (mnx) [CH2:1]1[CH2:2][C:8]([C:10]2([OH:23])[C:7](=[O:21])[O:24][C:11]3([Cl:16])[C:5]([Cl:14])=[C:4]([Cl:13])[C:9]2([Cl:15])[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