compound 0088159

Properties Image MNX_ID MNXM1184335 reference envipathM:...da23c7c68110 formula C12H9Cl5O6 global charge 0 mol weight 426.463 InChIKey HWJISEFWQHOVIQ-UHFFFAOYSA-N InChI InChI=1S/C12H9Cl5O6/c13-3-5-11(22)8(20)1-2(4(18)7(19)23-8)10(11,21)9(15,6(3)14)12(5,16)17/h2,4-5,18,20-22H,1H2 SMILES O=C1OC2(O)CC(C1O)C1(O)C3(Cl)C(Cl)=C(Cl)C(C3(Cl)Cl)C21O MNX internals InChI (mnx) InChI=1/C12H9Cl5O6/c13-3-5-11(22)8(20)1-2(4(18)7(19)23-8)10(11,21)9(15,6(3)14)12(5,16)17/h2,4-5,18,20-22H,1H2/t2?,4?,5?,8?,9?,10?,11? SMILES (mnx) [CH2:1]1[CH:2]2[CH:4]([OH:18])[C:7](=[O:19])[O:23][C:8]1([OH:20])[C:11]1([OH:22])[CH:5]3[C:3]([Cl:13])=[C:6]([Cl:14])[C:9]([Cl:15])([C:10]21[OH:21])[C:12]3([Cl:16])[Cl:17]

Parent-child relations graph

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