compound 0082569

Properties Image MNX_ID MNXM1138388 reference envipathM:...4831fda57c19 formula C12H8Cl5O4 global charge -1 mol weight 393.457 InChIKey PEKVOHDROHYBIW-UHFFFAOYSA-M InChI InChI=1S/C12H9Cl5O4/c13-5-2-10(14)7-4(18)1-3(8(19)9(20)21)6(7)11(5,15)12(10,16)17/h2-3,6-8,19H,1H2,(H,20,21)/p-1 SMILES O=C([O-])C(O)C1CC(=O)C2C1C1(Cl)C(Cl)=CC2(Cl)C1(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H9Cl5O4/c13-5-2-10(14)7-4(18)1-3(8(19)9(20)21)6(7)11(5,15)12(10,16)17/h2-3,6-8,19H,1H2,(H,20,21)/t3?,6?,7?,8?,10?,11? SMILES (mnx) [CH2:1]1[CH:3]([CH:8]([C:9](=[O:20])[OH:21])[OH:19])[CH:6]2[CH:7]([C:4]1=[O:18])[C:10]1([Cl:14])[CH:2]=[C:5]([Cl:13])[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