compound 0095383

Properties Image MNX_ID MNXM1190892 reference envipathM:...9f0b6f8cb62e formula C12H8Cl5O6 global charge -1 mol weight 425.455 InChIKey HZXSHUCOOVDOBR-UHFFFAOYSA-M InChI InChI=1S/C12H9Cl5O6/c13-4-5(14)11(15)9(22)3(6(19)20)1-8(21,2-18)7(9)10(4,23)12(11,16)17/h2-3,7,21-23H,1H2,(H,19,20)/p-1 SMILES O=CC1(O)CC(C(=O)[O-])C2(O)C1C1(O)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H9Cl5O6/c13-4-5(14)11(15)9(22)3(6(19)20)1-8(21,2-18)7(9)10(4,23)12(11,16)17/h2-3,7,21-23H,1H2,(H,19,20)/t3?,7?,8?,9?,10?,11? SMILES (mnx) [CH2:1]1[CH:3]([C:6](=[O:19])[OH:20])[C:9]2([OH:22])[CH:7]([C:8]1([CH:2]=[O:18])[OH:21])[C:10]1([OH:23])[C:4]([Cl:13])=[C:5]([Cl:14])[C:11]2([Cl:15])[C:12]1([Cl:16])[Cl:17]

Parent-child relations graph

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