compound 0081454

Properties Image MNX_ID MNXM1192084 reference envipathM:...593e2cc7542d formula C12H11Cl3O2 global charge 0 mol weight 293.577 InChIKey CCIWYCQJLGKDDP-UHFFFAOYSA-N InChI InChI=1S/C12H11Cl3O2/c13-10-2-1-6(12(10,14)15)11(16)5-3-4(9(10)11)7-8(5)17-7/h1-2,4-9,16H,3H2 SMILES OC12C3CC(C4OC43)C1C1(Cl)C=CC2C1(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H11Cl3O2/c13-10-2-1-6(12(10,14)15)11(16)5-3-4(9(10)11)7-8(5)17-7/h1-2,4-9,16H,3H2/t4?,5?,6?,7?,8?,9?,10?,11? SMILES (mnx) [CH:1]1=[CH:2][C:10]2([Cl:13])[CH:9]3[CH:4]4[CH2:3][CH:5]([CH:8]5[CH:7]4[O:17]5)[C:11]3([OH:16])[CH:6]1[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