compound 0087331

Properties Image MNX_ID MNXM1187813 reference envipathM:...17adf17f6108 formula C12H11Cl5O5 global charge 0 mol weight 412.48 InChIKey KLSUXNNLNOKZJK-UHFFFAOYSA-N InChI InChI=1S/C12H11Cl5O5/c13-5-6(14)10(15)11(22)4(9(5,21)12(10,16)17)2-1-8(11,20)7(19)3(2)18/h2,4-7,19-22H,1H2 SMILES O=C1C2CC(O)(C1O)C1(O)C2C2(O)C(Cl)C(Cl)C1(Cl)C2(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H11Cl5O5/c13-5-6(14)10(15)11(22)4(9(5,21)12(10,16)17)2-1-8(11,20)7(19)3(2)18/h2,4-7,19-22H,1H2/t2?,4?,5?,6?,7?,8?,9?,10?,11? SMILES (mnx) [CH2:1]1[CH:2]2[C:3](=[O:18])[CH:7]([OH:19])[C:8]1([OH:20])[C:11]1([OH:22])[CH:4]2[C:9]2([OH:21])[CH:5]([Cl:13])[CH:6]([Cl:14])[C:10]1([Cl:15])[C:12]2([Cl:16])[Cl:17]

Parent-child relations graph

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