compound 0091297

Properties Image MNX_ID MNXM1138074 reference envipathM:...79baa554d7bc formula C12H9Cl5O4 global charge 0 mol weight 394.465 InChIKey QMGZMQZUQILTTC-UHFFFAOYSA-N InChI InChI=1S/C12H9Cl5O4/c13-7-6-9(21)5(4-2(18)1-3(19)8(4)20)11(15,10(7)14)12(6,16)17/h4-8,10,20H,1H2 SMILES O=C1CC(=O)C(C2C(=O)C3C(Cl)C(Cl)C2(Cl)C3(Cl)Cl)C1O MNX internals InChI (mnx) InChI=1/C12H9Cl5O4/c13-7-6-9(21)5(4-2(18)1-3(19)8(4)20)11(15,10(7)14)12(6,16)17/h4-8,10,20H,1H2/t4?,5?,6?,7?,8?,10?,11? SMILES (mnx) [CH2:1]1[C:2](=[O:18])[CH:4]([CH:5]2[C:9](=[O:21])[CH:6]3[CH:7]([Cl:13])[CH:10]([Cl:14])[C:11]2([Cl:15])[C:12]3([Cl:16])[Cl:17])[CH:8]([OH:20])[C:3]1=[O:19]

Parent-child relations graph

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