compound 0095626

Properties Image MNX_ID MNXM1198046 reference envipathM:...cd10d113d7b3 formula C12H13Cl3O6 global charge 0 mol weight 359.589 InChIKey YHBVGHKPUCEUCX-UHFFFAOYSA-N InChI InChI=1S/C12H13Cl3O6/c13-4-2-9(19)10(20)3-1-8(18,6(17)5(3)16)7(10)11(4,21)12(9,14)15/h2-3,5-7,16-21H,1H2 SMILES OC1C(O)C2(O)CC1C1(O)C2C2(O)C(Cl)=CC1(O)C2(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H13Cl3O6/c13-4-2-9(19)10(20)3-1-8(18,6(17)5(3)16)7(10)11(4,21)12(9,14)15/h2-3,5-7,16-21H,1H2/t3?,5?,6?,7?,8?,9?,10?,11? SMILES (mnx) [CH2:1]1[CH:3]2[CH:5]([OH:16])[CH:6]([OH:17])[C:8]1([OH:18])[CH:7]1[C:10]2([OH:20])[C:9]2([OH:19])[CH:2]=[C:4]([Cl:13])[C:11]1([OH:21])[C:12]2([Cl:14])[Cl:15]

Parent-child relations graph

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