compound 0091834

Properties Image MNX_ID MNXM1174448 reference envipathM:...2ee34a19b0be formula C12H12Cl4O5 global charge 0 mol weight 378.035 InChIKey OWWLUJRKZYXWPF-UHFFFAOYSA-N InChI InChI=1S/C12H12Cl4O5/c13-5-6(14)11(16)8(15)10(5,20)4-2-1-9(19,12(4,11)21)7(18)3(2)17/h2-6,8,17,19-21H,1H2 SMILES O=C1C(O)C2CC1(O)C1(O)C2C2(O)C(Cl)C(Cl)C1(Cl)C2Cl MNX internals InChI (mnx) InChI=1/C12H12Cl4O5/c13-5-6(14)11(16)8(15)10(5,20)4-2-1-9(19,12(4,11)21)7(18)3(2)17/h2-6,8,17,19-21H,1H2/t2?,3?,4?,5?,6?,8?,9?,10?,11?,12? SMILES (mnx) [CH2:1]1[CH:2]2[CH:3]([OH:17])[C:7](=[O:18])[C:9]1([OH:19])[C:12]1([OH:21])[CH:4]2[C:10]2([OH:20])[CH:5]([Cl:13])[CH:6]([Cl:14])[C:11]1([Cl:16])[CH:8]2[Cl:15]

Parent-child relations graph

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