compound 0083919

Properties Image MNX_ID MNXM1184021 reference envipathM:...f5bb9d3fb6e0 formula C12H8Cl5O4 global charge -1 mol weight 393.457 InChIKey XJBFSAHMBALWBK-UHFFFAOYSA-M InChI InChI=1S/C12H9Cl5O4/c13-6-7(14)12(17)5-4(11(6,16)9(12)15)3(8(19)20)1-10(5,21)2-18/h2-5,9,21H,1H2,(H,19,20)/p-1 SMILES O=CC1(O)CC(C(=O)[O-])C2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1Cl MNX internals InChI (mnx) InChI=1/C12H9Cl5O4/c13-6-7(14)12(17)5-4(11(6,16)9(12)15)3(8(19)20)1-10(5,21)2-18/h2-5,9,21H,1H2,(H,19,20)/t3?,4?,5?,9?,10?,11?,12? SMILES (mnx) [CH2:1]1[CH:3]([C:8](=[O:19])[OH:20])[CH:4]2[CH:5]([C:10]1([CH:2]=[O:18])[OH:21])[C:12]1([Cl:17])[C:7]([Cl:14])=[C:6]([Cl:13])[C:11]2([Cl:16])[CH:9]1[Cl:15]

Parent-child relations graph

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