compound 0086738

Properties Image MNX_ID MNXM1178037 reference envipathM:...6dc460d81fcc formula C12H12Cl4O4 global charge 0 mol weight 362.036 InChIKey MYOAJAKJECTBAH-UHFFFAOYSA-N InChI InChI=1S/C12H12Cl4O4/c13-6-7(14)12(20)5-3(11(6,16)9(12)15)2-1-10(5,19)8(18)4(2)17/h2-7,9,17,19-20H,1H2 SMILES O=C1C(O)C2CC1(O)C1C2C2(Cl)C(Cl)C(Cl)C1(O)C2Cl MNX internals InChI (mnx) InChI=1/C12H12Cl4O4/c13-6-7(14)12(20)5-3(11(6,16)9(12)15)2-1-10(5,19)8(18)4(2)17/h2-7,9,17,19-20H,1H2/t2?,3?,4?,5?,6?,7?,9?,10?,11?,12? SMILES (mnx) [CH2:1]1[CH:2]2[CH:3]3[CH:5]([C:10]1([OH:19])[C:8](=[O:18])[CH:4]2[OH:17])[C:12]1([OH:20])[CH:7]([Cl:14])[CH:6]([Cl:13])[C:11]3([Cl:16])[CH:9]1[Cl:15]

Parent-child relations graph

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