compound 0089270

Properties Image MNX_ID MNXM1192668 reference envipathM:...39b3a848f740 formula C12H11Cl5O5 global charge 0 mol weight 412.48 InChIKey ICNKXNDTZFJQSO-UHFFFAOYSA-N InChI InChI=1S/C12H11Cl5O5/c13-4-1-10(14)8-7(11(4,15)12(10,16)17)9(21,5(19)3-18)2-6(20)22-8/h4,7-8,18,21H,1-3H2 SMILES O=C1CC(O)(C(=O)CO)C2C(O1)C1(Cl)CC(Cl)C2(Cl)C1(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H11Cl5O5/c13-4-1-10(14)8-7(11(4,15)12(10,16)17)9(21,5(19)3-18)2-6(20)22-8/h4,7-8,18,21H,1-3H2/t4?,7?,8?,9?,10?,11? SMILES (mnx) [CH2:1]1[CH:4]([Cl:13])[C:11]2([Cl:15])[CH:7]3[CH:8]([C:10]1([Cl:14])[C:12]2([Cl:16])[Cl:17])[O:22][C:6](=[O:20])[CH2:2][C:9]3([C:5]([CH2:3][OH:18])=[O:19])[OH:21]

Parent-child relations graph

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