compound 0092909

Properties Image MNX_ID MNXM1183790 reference envipathM:...bb114fd3d447 formula C12H15ClO3 global charge 0 mol weight 242.702 InChIKey HEWSMXZPAGWFTN-UHFFFAOYSA-N InChI InChI=1S/C12H15ClO3/c13-11-2-6(14)12(15,3-11)8-5-1-4(7(8)11)9-10(5)16-9/h4-10,14-15H,1-3H2 SMILES OC1CC2(Cl)CC1(O)C1C3CC(C4OC34)C12 MNX internals InChI (mnx) InChI=1/C12H15ClO3/c13-11-2-6(14)12(15,3-11)8-5-1-4(7(8)11)9-10(5)16-9/h4-10,14-15H,1-3H2/t4?,5?,6?,7?,8?,9?,10?,11?,12? SMILES (mnx) [CH2:1]1[CH:4]2[CH:7]3[CH:8]([CH:5]1[CH:10]1[CH:9]2[O:16]1)[C:12]1([OH:15])[CH2:3][C:11]3([Cl:13])[CH2:2][CH:6]1[OH:14]

Parent-child relations graph

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