compound 0094839

Properties Image MNX_ID MNXM1184504 reference envipathM:...3760a6cc3900 formula C12H9Cl5O4 global charge 0 mol weight 394.465 InChIKey YNBAYMCBPRQPQN-UHFFFAOYSA-N InChI InChI=1S/C12H9Cl5O4/c13-7-8(14)11(21)5(3-1-2-4(18)6(3)19)9(20)10(7,15)12(11,16)17/h3,5,7-8,21H,1-2H2 SMILES O=C1CCC(C2C(=O)C3(Cl)C(Cl)C(Cl)C2(O)C3(Cl)Cl)C1=O MNX internals InChI (mnx) InChI=1/C12H9Cl5O4/c13-7-8(14)11(21)5(3-1-2-4(18)6(3)19)9(20)10(7,15)12(11,16)17/h3,5,7-8,21H,1-2H2/t3?,5?,7?,8?,10?,11? SMILES (mnx) [CH2:1]1[CH2:2][C:4](=[O:18])[C:6](=[O:19])[CH:3]1[CH:5]1[C:9](=[O:20])[C:10]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