compound 0088454

Properties Image MNX_ID MNXM1198010 reference envipathM:...4cd4e9693ac5 formula C12H11Cl3O5 global charge 0 mol weight 341.574 InChIKey DUROZMUBHNUHSP-UHFFFAOYSA-N InChI InChI=1S/C12H11Cl3O5/c13-3-4(14)10(17)1-8(3,15)7-9(16)2-11(18,12(7,10)19)6-5(9)20-6/h5-7,16-19H,1-2H2 SMILES OC12CC(O)(C3OC31)C1(O)C2C2(Cl)CC1(O)C(Cl)=C2Cl MNX internals InChI (mnx) InChI=1/C12H11Cl3O5/c13-3-4(14)10(17)1-8(3,15)7-9(16)2-11(18,12(7,10)19)6-5(9)20-6/h5-7,16-19H,1-2H2/t5?,6?,7?,8?,9?,10?,11?,12? SMILES (mnx) [CH2:1]1[C:8]2([Cl:15])[C:3]([Cl:13])=[C:4]([Cl:14])[C:10]1([OH:17])[C:12]1([OH:19])[CH:7]2[C:9]2([OH:16])[CH2:2][C:11]1([OH:18])[CH:6]1[CH:5]2[O:20]1

Parent-child relations graph

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