compound 0090329

Properties Image MNX_ID MNXM1188599 reference envipathM:...a4cabd058fad formula C12H8Cl6O5 global charge 0 mol weight 444.909 InChIKey KARVDRMRSVIJRU-UHFFFAOYSA-N InChI InChI=1S/C12H8Cl6O5/c13-5-6(14)11(16)8(22)4(10(5,15)12(11,17)18)9(23)3(20)1-2(19)7(9)21/h4-7,21,23H,1H2 SMILES O=C1CC(=O)C(O)(C2C(=O)C3(Cl)C(Cl)C(Cl)C2(Cl)C3(Cl)Cl)C1O MNX internals InChI (mnx) InChI=1/C12H8Cl6O5/c13-5-6(14)11(16)8(22)4(10(5,15)12(11,17)18)9(23)3(20)1-2(19)7(9)21/h4-7,21,23H,1H2/t4?,5?,6?,7?,9?,10?,11? SMILES (mnx) [CH2:1]1[C:2](=[O:19])[CH:7]([OH:21])[C:9]([CH:4]2[C:8](=[O:22])[C:11]3([Cl:16])[CH:6]([Cl:14])[CH:5]([Cl:13])[C:10]2([Cl:15])[C:12]3([Cl:17])[Cl:18])([OH:23])[C:3]1=[O:20]

Parent-child relations graph

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