compound 0094517

Properties Image MNX_ID MNXM1197941 reference envipathM:...573eec181c3a formula C12H12Cl4O5 global charge 0 mol weight 378.035 InChIKey NRPZABIRSKEAEN-UHFFFAOYSA-N InChI InChI=1S/C12H12Cl4O5/c13-10-2-4(17)11(14,12(10,15)16)5-3-1-9(20,6(5)10)8(19)21-7(3)18/h3-6,8,17,19-20H,1-2H2 SMILES O=C1OC(O)C2(O)CC1C1C2C2(Cl)CC(O)C1(Cl)C2(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H12Cl4O5/c13-10-2-4(17)11(14,12(10,15)16)5-3-1-9(20,6(5)10)8(19)21-7(3)18/h3-6,8,17,19-20H,1-2H2/t3?,4?,5?,6?,8?,9?,10?,11? SMILES (mnx) [CH2:1]1[CH:3]2[CH:5]3[CH:6]([C:9]1([OH:20])[CH:8]([OH:19])[O:21][C:7]2=[O:18])[C:10]1([Cl:13])[CH2:2][CH:4]([OH:17])[C:11]3([Cl:14])[C:12]1([Cl:15])[Cl:16]

Parent-child relations graph

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