compound 0096479

Properties Image MNX_ID MNXM1195742 reference envipathM:...9b57895f6b21 formula C12H11Cl5O5 global charge 0 mol weight 412.48 InChIKey VXQVVBUVLSNOJR-UHFFFAOYSA-N InChI InChI=1S/C12H11Cl5O5/c13-8-7(20)9(14)12(16,17)11(8,15)4-2-1-3(22-10(4)21)6(19)5(2)18/h2-6,8-9,18-19H,1H2 SMILES O=C1C(Cl)C(Cl)(Cl)C(Cl)(C2C(=O)OC3CC2C(O)C3O)C1Cl MNX internals InChI (mnx) InChI=1/C12H11Cl5O5/c13-8-7(20)9(14)12(16,17)11(8,15)4-2-1-3(22-10(4)21)6(19)5(2)18/h2-6,8-9,18-19H,1H2/t2?,3?,4?,5?,6?,8?,9?,11? SMILES (mnx) [CH2:1]1[CH:2]2[CH:4]([C:11]3([Cl:15])[CH:8]([Cl:13])[C:7](=[O:20])[CH:9]([Cl:14])[C:12]3([Cl:16])[Cl:17])[C:10](=[O:21])[O:22][CH:3]1[CH:6]([OH:19])[CH:5]2[OH:18]

Parent-child relations graph

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