compound 0086135

Properties Image MNX_ID MNXM1138911 reference envipathM:...b09b1f35c2fa formula C12H11Cl5O5 global charge 0 mol weight 412.48 InChIKey QYJQUELBWUUOQV-UHFFFAOYSA-N InChI InChI=1S/C12H11Cl5O5/c13-3-5-11(21)4(10(15,6(3)14)12(5,16)17)2-1-9(11,20)7(18)8(19)22-2/h2-7,18,20-21H,1H2 SMILES O=C1OC2CC(O)(C1O)C1(O)C3C(Cl)C(Cl)C(Cl)(C21)C3(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H11Cl5O5/c13-3-5-11(21)4(10(15,6(3)14)12(5,16)17)2-1-9(11,20)7(18)8(19)22-2/h2-7,18,20-21H,1H2/t2?,3?,4?,5?,6?,7?,9?,10?,11? SMILES (mnx) [CH2:1]1[CH:2]2[CH:4]3[C:10]4([Cl:15])[CH:6]([Cl:14])[CH:3]([Cl:13])[CH:5]([C:11]3([OH:21])[C:9]1([OH:20])[CH:7]([OH:18])[C:8](=[O:19])[O:22]2)[C:12]4([Cl:16])[Cl:17]

Parent-child relations graph

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