compound 0088268

Properties Image MNX_ID MNXM1173340 reference envipathM:...a4dfe268047a formula C12H12Cl4O4 global charge 0 mol weight 362.036 InChIKey STAOXPOGLYYIFN-UHFFFAOYSA-N InChI InChI=1S/C12H12Cl4O4/c13-6-5-4-3(11(14,8(6)18)12(5,15)16)2-1-10(4,20)9(19)7(2)17/h2-7,9,17,19-20H,1H2 SMILES O=C1C(Cl)C2C3C(C4CC3(O)C(O)C4O)C1(Cl)C2(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H12Cl4O4/c13-6-5-4-3(11(14,8(6)18)12(5,15)16)2-1-10(4,20)9(19)7(2)17/h2-7,9,17,19-20H,1H2/t2?,3?,4?,5?,6?,7?,9?,10?,11? SMILES (mnx) [CH2:1]1[CH:2]2[CH:3]3[CH:4]([CH:5]4[CH:6]([Cl:13])[C:8](=[O:18])[C:11]3([Cl:14])[C:12]4([Cl:15])[Cl:16])[C:10]1([OH:20])[CH:9]([OH:19])[CH:7]2[OH:17]

Parent-child relations graph

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