compound 0082357

Properties Image MNX_ID MNXM1188465 reference envipathM:...7f91d7496bce formula C12H12Cl4O4 global charge 0 mol weight 362.036 InChIKey UVBLHGDZPVOMEY-UHFFFAOYSA-N InChI InChI=1S/C12H12Cl4O4/c13-5-1-3-7-9(19)2-4(6(17)8(9)18)10(7,20)11(5,14)12(3,15)16/h1,3-4,6-8,17-20H,2H2 SMILES OC1C(O)C2(O)CC1C1(O)C2C2C=C(Cl)C1(Cl)C2(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H12Cl4O4/c13-5-1-3-7-9(19)2-4(6(17)8(9)18)10(7,20)11(5,14)12(3,15)16/h1,3-4,6-8,17-20H,2H2/t3?,4?,6?,7?,8?,9?,10?,11? SMILES (mnx) [CH:1]1=[C:5]([Cl:13])[C:11]2([Cl:14])[C:10]3([OH:20])[CH:4]4[CH2:2][C:9]([OH:19])([CH:7]3[CH:3]1[C:12]2([Cl:15])[Cl:16])[CH:8]([OH:18])[CH:6]4[OH:17]

Parent-child relations graph

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