compound 0083507

Properties Image MNX_ID MNXM1138604 reference envipathM:...30aa274c8e37 formula C12H14Cl4O4 global charge 0 mol weight 364.052 InChIKey YNXHFKMJDLDSLG-UHFFFAOYSA-N InChI InChI=1S/C12H14Cl4O4/c13-4-2-10(20)7-5(11(4,14)12(10,15)16)3-1-9(7,19)8(18)6(3)17/h3-8,17-20H,1-2H2 SMILES OC1C2CC(O)(C1O)C1C2C2(Cl)C(Cl)CC1(O)C2(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H14Cl4O4/c13-4-2-10(20)7-5(11(4,14)12(10,15)16)3-1-9(7,19)8(18)6(3)17/h3-8,17-20H,1-2H2/t3?,4?,5?,6?,7?,8?,9?,10?,11? SMILES (mnx) [CH2:1]1[CH:3]2[CH:5]3[CH:7]([C:9]1([OH:19])[CH:8]([OH:18])[CH:6]2[OH:17])[C:10]1([OH:20])[CH2:2][CH:4]([Cl:13])[C:11]3([Cl:14])[C:12]1([Cl:15])[Cl:16]

Parent-child relations graph

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