compound 0089685

Properties Image MNX_ID MNXM1137936 reference envipathM:...a45519498f39 formula C12H11Cl5O5 global charge 0 mol weight 412.48 InChIKey QSLPGLTWENYWCI-UHFFFAOYSA-N InChI InChI=1S/C12H11Cl5O5/c13-7-9(22)10(14)4(2-1-3(18)6(20)5(2)19)8(21)11(7,15)12(10,16)17/h2-5,7,9,18-19,22H,1H2 SMILES O=C1C(O)CC(C2C(=O)C3(Cl)C(Cl)C(O)C2(Cl)C3(Cl)Cl)C1O MNX internals InChI (mnx) InChI=1/C12H11Cl5O5/c13-7-9(22)10(14)4(2-1-3(18)6(20)5(2)19)8(21)11(7,15)12(10,16)17/h2-5,7,9,18-19,22H,1H2/t2?,3?,4?,5?,7?,9?,10?,11? SMILES (mnx) [CH2:1]1[CH:2]([CH:4]2[C:8](=[O:21])[C:11]3([Cl:15])[CH:7]([Cl:13])[CH:9]([OH:22])[C:10]2([Cl:14])[C:12]3([Cl:16])[Cl:17])[CH:5]([OH:19])[C:6](=[O:20])[CH:3]1[OH:18]

Parent-child relations graph

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