compound 0093348

Properties Image MNX_ID MNXM1176570 reference envipathM:...1a3be1bfe951 formula C12H8Cl5O5 global charge -1 mol weight 409.456 InChIKey XFWADNZFNVCOLS-UHFFFAOYSA-M InChI InChI=1S/C12H9Cl5O5/c13-8-7-5(10(21)22)6(3(1-18)4(20)2-19)11(15,9(8)14)12(7,16)17/h1,3,5-7,19H,2H2,(H,21,22)/p-1 SMILES O=CC(C(=O)CO)C1C(C(=O)[O-])C2C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H9Cl5O5/c13-8-7-5(10(21)22)6(3(1-18)4(20)2-19)11(15,9(8)14)12(7,16)17/h1,3,5-7,19H,2H2,(H,21,22)/t3?,5?,6?,7?,11? SMILES (mnx) [CH:1]([CH:3]([C:4]([CH2:2][OH:19])=[O:20])[CH:6]1[CH:5]([C:10](=[O:21])[OH:22])[CH:7]2[C:8]([Cl:13])=[C:9]([Cl:14])[C:11]1([Cl:15])[C:12]2([Cl:16])[Cl:17])=[O:18]

Parent-child relations graph

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