compound 0086172

Properties Image MNX_ID MNXM1174743 reference envipathM:...b9bdd2afe24a formula C12H16Cl2O3 global charge 0 mol weight 279.163 InChIKey NWUFSFVCYRZNJD-UHFFFAOYSA-N InChI InChI=1S/C12H16Cl2O3/c13-7-3-11(14)2-5(7)8-4-1-6(12(8,11)17)10(16)9(4)15/h4-10,15-17H,1-3H2 SMILES OC1C(O)C2CC1C1C3CC(Cl)(CC3Cl)C21O MNX internals InChI (mnx) InChI=1/C12H16Cl2O3/c13-7-3-11(14)2-5(7)8-4-1-6(12(8,11)17)10(16)9(4)15/h4-10,15-17H,1-3H2/t4?,5?,6?,7?,8?,9?,10?,11?,12? SMILES (mnx) [CH2:1]1[CH:4]2[CH:8]3[CH:5]4[CH2:2][C:11]([Cl:14])([CH2:3][CH:7]4[Cl:13])[C:12]3([OH:17])[CH:6]1[CH:10]([OH:16])[CH:9]2[OH:15]

Parent-child relations graph

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