compound 0098145

Properties Image MNX_ID MNXM1188995 reference envipathM:...49b4a3b2d56c formula C12H12Cl2O3 global charge 0 mol weight 275.131 InChIKey HRWPQIQZQBZQQQ-UHFFFAOYSA-N InChI InChI=1S/C12H12Cl2O3/c13-7-4-12(14)3-6(7)9(11(12)17)5-1-2-8(15)10(5)16/h4-6,9-10,16H,1-3H2 SMILES O=C1CCC(C2C(=O)C3(Cl)C=C(Cl)C2C3)C1O MNX internals InChI (mnx) InChI=1/C12H12Cl2O3/c13-7-4-12(14)3-6(7)9(11(12)17)5-1-2-8(15)10(5)16/h4-6,9-10,16H,1-3H2/t5?,6?,9?,10?,12? SMILES (mnx) [CH2:1]1[CH2:2][C:8](=[O:15])[CH:10]([OH:16])[CH:5]1[CH:9]1[CH:6]2[CH2:3][C:12]([Cl:14])([CH:4]=[C:7]2[Cl:13])[C:11]1=[O:17]

Parent-child relations graph

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