compound 0085290

Properties Image MNX_ID MNXM1195409 reference envipathM:...f72b09cd7f59 formula C12H11Cl4O5 global charge -1 mol weight 377.027 InChIKey OMAHWXDTSCOCCR-UHFFFAOYSA-M InChI InChI=1S/C12H12Cl4O5/c13-4-2-10(15)9(14)11(4,16)7-3(6(18)8(19)20)1-5(17)12(7,10)21/h2-3,5-7,9,17-18,21H,1H2,(H,19,20)/p-1 SMILES O=C([O-])C(O)C1CC(O)C2(O)C1C1(Cl)C(Cl)=CC2(Cl)C1Cl MNX internals InChI (mnx) InChI=1/C12H12Cl4O5/c13-4-2-10(15)9(14)11(4,16)7-3(6(18)8(19)20)1-5(17)12(7,10)21/h2-3,5-7,9,17-18,21H,1H2,(H,19,20)/t3?,5?,6?,7?,9?,10?,11?,12? SMILES (mnx) [CH2:1]1[CH:3]([CH:6]([C:8](=[O:19])[OH:20])[OH:18])[CH:7]2[C:11]3([Cl:16])[C:4]([Cl:13])=[CH:2][C:10]([Cl:15])([CH:9]3[Cl:14])[C:12]2([OH:21])[CH:5]1[OH:17]

Parent-child relations graph

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