compound 0081627

Properties Image MNX_ID MNXM1186124 reference envipathM:...c9c32d586469 formula C12H13Cl3O3 global charge 0 mol weight 311.592 InChIKey IDYMNNLPMQLIHH-UHFFFAOYSA-N InChI InChI=1S/C12H13Cl3O3/c13-6-2-5-7-3-1-4(10(17)9(3)16)8(7)11(6,18)12(5,14)15/h2-5,7-10,16-18H,1H2 SMILES OC1C(O)C2CC1C1C3C=C(Cl)C(O)(C21)C3(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H13Cl3O3/c13-6-2-5-7-3-1-4(10(17)9(3)16)8(7)11(6,18)12(5,14)15/h2-5,7-10,16-18H,1H2/t3?,4?,5?,7?,8?,9?,10?,11? SMILES (mnx) [CH2:1]1[CH:3]2[CH:7]3[CH:5]4[CH:2]=[C:6]([Cl:13])[C:11]([OH:18])([CH:8]3[CH:4]1[CH:10]([OH:17])[CH:9]2[OH:16])[C:12]4([Cl:14])[Cl:15]

Parent-child relations graph

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