compound 0087733

Properties Image MNX_ID MNXM1176010 reference envipathM:...7f32cc5e1a74 formula C12H11Cl3O4 global charge 0 mol weight 325.575 InChIKey SBHFGJBJJJBRBO-UHFFFAOYSA-N InChI InChI=1S/C12H11Cl3O4/c13-5-2-11(15)7-3-1-4(10(17)19-9(3)16)12(7,18)6(5)8(11)14/h2-4,6-8,10,17-18H,1H2 SMILES O=C1OC(O)C2CC1C1C3(Cl)C=C(Cl)C(C3Cl)C21O MNX internals InChI (mnx) InChI=1/C12H11Cl3O4/c13-5-2-11(15)7-3-1-4(10(17)19-9(3)16)12(7,18)6(5)8(11)14/h2-4,6-8,10,17-18H,1H2/t3?,4?,6?,7?,8?,10?,11?,12? SMILES (mnx) [CH2:1]1[CH:3]2[CH:7]3[C:11]4([Cl:15])[CH:2]=[C:5]([Cl:13])[CH:6]([CH:8]4[Cl:14])[C:12]3([OH:18])[CH:4]1[CH:10]([OH:17])[O:19][C:9]2=[O:16]

Parent-child relations graph

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