compound 0095691

Properties Image MNX_ID MNXM1301955 reference envipathM:...57fa4b489ef6 formula C12H7Cl5O5 global charge 0 mol weight 408.448 InChIKey JMAURRGQIYFQQQ-UHFFFAOYSA-N InChI InChI=1S/C12H7Cl5O5/c13-6-7(14)11(17)8(15)10(6,16)5-3(4(19)1-18)2-22-9(20)12(5,11)21/h1,3,5,8,21H,2H2 SMILES O=CC(=O)C1COC(=O)C2(O)C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1Cl MNX internals InChI (mnx) InChI=1/C12H7Cl5O5/c13-6-7(14)11(17)8(15)10(6,16)5-3(4(19)1-18)2-22-9(20)12(5,11)21/h1,3,5,8,21H,2H2/t3?,5?,8?,10?,11?,12? SMILES (mnx) [CH:1]([C:4]([CH:3]1[CH2:2][O:22][C:9](=[O:20])[C:12]2([OH:21])[CH:5]1[C:10]1([Cl:16])[C:6]([Cl:13])=[C:7]([Cl:14])[C:11]2([Cl:17])[CH:8]1[Cl:15])=[O:19])=[O:18]

Parent-child relations graph

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