compound 0096714

Properties Image MNX_ID MNXM1185810 reference envipathM:...fdb665c293c3 formula C12H9Cl5O6 global charge 0 mol weight 426.463 InChIKey ACINCZJGTYWPGO-UHFFFAOYSA-N InChI InChI=1S/C12H9Cl5O6/c13-5-6(14)11(17)8(15)10(5,16)7-9(21,23-4(20)2-18)1-3(19)12(7,11)22/h7-8,18,21-22H,1-2H2 SMILES O=C(CO)OC1(O)CC(=O)C2(O)C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1Cl MNX internals InChI (mnx) InChI=1/C12H9Cl5O6/c13-5-6(14)11(17)8(15)10(5,16)7-9(21,23-4(20)2-18)1-3(19)12(7,11)22/h7-8,18,21-22H,1-2H2/t7?,8?,9?,10?,11?,12? SMILES (mnx) [CH2:1]1[C:3](=[O:19])[C:12]2([OH:22])[CH:7]([C:9]1([OH:21])[O:23][C:4]([CH2:2][OH:18])=[O:20])[C:10]1([Cl:16])[C:5]([Cl:13])=[C:6]([Cl:14])[C:11]2([Cl:17])[CH:8]1[Cl:15]

Parent-child relations graph

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