compound 0094615

Properties Image MNX_ID MNXM1174498 reference envipathM:...0b579de370d6 formula C12H9Cl5O5 global charge 0 mol weight 410.464 InChIKey KCMBFRXBUVOYSW-UHFFFAOYSA-N InChI InChI=1S/C12H9Cl5O5/c13-6-3-10(14)8(21)9(11(6,15)12(10,16)17)22-7(20)2-1-5(19)4-18/h3,9,18H,1-2,4H2 SMILES O=C(CO)CCC(=O)OC1C(=O)C2(Cl)C=C(Cl)C1(Cl)C2(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H9Cl5O5/c13-6-3-10(14)8(21)9(11(6,15)12(10,16)17)22-7(20)2-1-5(19)4-18/h3,9,18H,1-2,4H2/t9?,10?,11? SMILES (mnx) [CH2:1]([CH2:2][C:7](=[O:20])[O:22][CH:9]1[C:8](=[O:21])[C:10]2([Cl:14])[CH:3]=[C:6]([Cl:13])[C:11]1([Cl:15])[C:12]2([Cl:16])[Cl:17])[C:5]([CH2:4][OH:18])=[O:19]

Parent-child relations graph

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