compound 0091979

Properties Image MNX_ID MNXM1180379 reference envipathM:...7c86d9d3c48a formula C12H16Cl2O4 global charge 0 mol weight 295.162 InChIKey KCFFDFZMTICZRY-UHFFFAOYSA-N InChI InChI=1S/C12H16Cl2O4/c13-6-3-10(14)1-4(6)12(18)5-2-11(17,9(10)12)8(16)7(5)15/h4-9,15-18H,1-3H2 SMILES OC1C(O)C2(O)CC1C1(O)C3CC(Cl)(CC3Cl)C21 MNX internals InChI (mnx) InChI=1/C12H16Cl2O4/c13-6-3-10(14)1-4(6)12(18)5-2-11(17,9(10)12)8(16)7(5)15/h4-9,15-18H,1-3H2/t4?,5?,6?,7?,8?,9?,10?,11?,12? SMILES (mnx) [CH2:1]1[CH:4]2[CH:6]([Cl:13])[CH2:3][C:10]1([Cl:14])[CH:9]1[C:11]3([OH:17])[CH2:2][CH:5]([CH:7]([OH:15])[CH:8]3[OH:16])[C:12]21[OH:18]

Parent-child relations graph

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