compound 0098115

Properties Image MNX_ID MNXM1174607 reference envipathM:...fe7005e047db formula C12H11Cl5O6 global charge 0 mol weight 428.479 InChIKey NHCYQJQXQJBAGA-UHFFFAOYSA-N InChI InChI=1S/C12H11Cl5O6/c13-6-5-4(2-1-3(18)9(21)23-8(2)20)7(19)10(14,11(5,15)16)12(6,17)22/h2-6,8,18,20,22H,1H2 SMILES O=C1OC(O)C(C2C(=O)C3(Cl)C(O)(Cl)C(Cl)C2C3(Cl)Cl)CC1O MNX internals InChI (mnx) InChI=1/C12H11Cl5O6/c13-6-5-4(2-1-3(18)9(21)23-8(2)20)7(19)10(14,11(5,15)16)12(6,17)22/h2-6,8,18,20,22H,1H2/t2?,3?,4?,5?,6?,8?,10?,12? SMILES (mnx) [CH2:1]1[CH:2]([CH:4]2[CH:5]3[CH:6]([Cl:13])[C:12]([Cl:17])([OH:22])[C:10]([Cl:14])([C:7]2=[O:19])[C:11]3([Cl:15])[Cl:16])[CH:8]([OH:20])[O:23][C:9](=[O:21])[CH:3]1[OH:18]

Parent-child relations graph

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