compound 0090776

Properties Image MNX_ID MNXM1198515 reference envipathM:...470f81696196 formula C12H12Cl4O5 global charge 0 mol weight 378.035 InChIKey QIVYWPPUJPNUAA-UHFFFAOYSA-N InChI InChI=1S/C12H12Cl4O5/c13-8-10(15)5(3-1-2-4(17)6(3)18)7(19)11(8,20)12(16,21)9(10)14/h3,5-6,8-9,18,20-21H,1-2H2 SMILES O=C1CCC(C2C(=O)C3(O)C(Cl)C2(Cl)C(Cl)C3(O)Cl)C1O MNX internals InChI (mnx) InChI=1/C12H12Cl4O5/c13-8-10(15)5(3-1-2-4(17)6(3)18)7(19)11(8,20)12(16,21)9(10)14/h3,5-6,8-9,18,20-21H,1-2H2/t3?,5?,6?,8?,9?,10?,11?,12? SMILES (mnx) [CH2:1]1[CH2:2][C:4](=[O:17])[CH:6]([OH:18])[CH:3]1[CH:5]1[C:7](=[O:19])[C:11]2([OH:20])[CH:8]([Cl:13])[C:10]1([Cl:15])[CH:9]([Cl:14])[C:12]2([Cl:16])[OH:21]

Parent-child relations graph

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