compound 0091974

Properties Image MNX_ID MNXM1181800 reference envipathM:...72232e24b1f0 formula C12H10Cl4O5 global charge 0 mol weight 376.019 InChIKey BVEGYKCWPBLLQB-UHFFFAOYSA-N InChI InChI=1S/C12H10Cl4O5/c13-6-2-10(15)8(14)11(6,16)12(20)4(5(18)3-17)1-7(19)21-9(10)12/h2,4,8-9,17,20H,1,3H2 SMILES O=C1CC(C(=O)CO)C2(O)C(O1)C1(Cl)C=C(Cl)C2(Cl)C1Cl MNX internals InChI (mnx) InChI=1/C12H10Cl4O5/c13-6-2-10(15)8(14)11(6,16)12(20)4(5(18)3-17)1-7(19)21-9(10)12/h2,4,8-9,17,20H,1,3H2/t4?,8?,9?,10?,11?,12? SMILES (mnx) [CH2:1]1[CH:4]([C:5]([CH2:3][OH:17])=[O:18])[C:12]2([OH:20])[CH:9]([C:10]3([Cl:15])[CH:2]=[C:6]([Cl:13])[C:11]2([Cl:16])[CH:8]3[Cl:14])[O:21][C:7]1=[O:19]

Parent-child relations graph

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