compound 0090339

Properties Image MNX_ID MNXM1170369 reference envipathM:...da0fd402feff formula C12H10Cl4O4 global charge 0 mol weight 360.02 InChIKey PFOKLDJMZWTGLC-UHFFFAOYSA-N InChI InChI=1S/C12H10Cl4O4/c13-6-8(19)12(16)5-3(11(6,15)9(12)14)2-1-10(5,20)7(18)4(2)17/h2-3,5-7,9,18,20H,1H2 SMILES O=C1C2CC(O)(C1O)C1C2C2(Cl)C(Cl)C(=O)C1(Cl)C2Cl MNX internals InChI (mnx) InChI=1/C12H10Cl4O4/c13-6-8(19)12(16)5-3(11(6,15)9(12)14)2-1-10(5,20)7(18)4(2)17/h2-3,5-7,9,18,20H,1H2/t2?,3?,5?,6?,7?,9?,10?,11?,12? SMILES (mnx) [CH2:1]1[CH:2]2[CH:3]3[CH:5]([C:10]1([OH:20])[CH:7]([OH:18])[C:4]2=[O:17])[C:12]1([Cl:16])[C:8](=[O:19])[CH:6]([Cl:13])[C:11]3([Cl:15])[CH:9]1[Cl:14]

Parent-child relations graph

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