compound 0086914

Properties Image MNX_ID MNXM1138516 reference envipathM:...e89e39bf68ff formula C12H10Cl4O5 global charge 0 mol weight 376.019 InChIKey IVXRIIDATAHEBM-UHFFFAOYSA-N InChI InChI=1S/C12H10Cl4O5/c13-4-2-9(14)6-3-1-10(19,21-8(18)5(3)17)11(6,20)7(4)12(9,15)16/h2-3,5-7,17,19-20H,1H2 SMILES O=C1OC2(O)CC(C1O)C1C3(Cl)C=C(Cl)C(C3(Cl)Cl)C12O MNX internals InChI (mnx) InChI=1/C12H10Cl4O5/c13-4-2-9(14)6-3-1-10(19,21-8(18)5(3)17)11(6,20)7(4)12(9,15)16/h2-3,5-7,17,19-20H,1H2/t3?,5?,6?,7?,9?,10?,11? SMILES (mnx) [CH2:1]1[CH:3]2[CH:5]([OH:17])[C:8](=[O:18])[O:21][C:10]1([OH:19])[C:11]1([OH:20])[CH:6]2[C:9]2([Cl:14])[CH:2]=[C:4]([Cl:13])[CH:7]1[C:12]2([Cl:15])[Cl:16]

Parent-child relations graph

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