compound 0082910

Properties Image MNX_ID MNXM1138131 reference envipathM:...61ae76b9a848 formula C12H11Cl5O4 global charge 0 mol weight 396.481 InChIKey DXARCPQIQCNWHY-UHFFFAOYSA-N InChI InChI=1S/C12H11Cl5O4/c13-7-8(14)11(21)10(20)3-1-2(4(18)5(3)19)6(10)9(7,15)12(11,16)17/h2-4,6-8,18,20-21H,1H2 SMILES O=C1C(O)C2CC1C1(O)C2C2(Cl)C(Cl)C(Cl)C1(O)C2(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H11Cl5O4/c13-7-8(14)11(21)10(20)3-1-2(4(18)5(3)19)6(10)9(7,15)12(11,16)17/h2-4,6-8,18,20-21H,1H2/t2?,3?,4?,6?,7?,8?,9?,10?,11? SMILES (mnx) [CH2:1]1[CH:2]2[CH:4]([OH:18])[C:5](=[O:19])[CH:3]1[C:10]1([OH:20])[CH:6]2[C:9]2([Cl:15])[CH:7]([Cl:13])[CH:8]([Cl:14])[C:11]1([OH:21])[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