compound 0082036

Properties Image MNX_ID MNXM1187079 reference envipathM:...17b74e50cdd3 formula C12H8Cl6O5 global charge 0 mol weight 444.909 InChIKey VMPGQHXVRDCJOH-UHFFFAOYSA-N InChI InChI=1S/C12H8Cl6O5/c13-4-5(14)11(16)3-2(10(4,15)12(11,17)18)8(21)1-9(3,22)7(20)23-6(8)19/h2-3,6,19,21-22H,1H2 SMILES O=C1OC(O)C2(O)CC1(O)C1C2C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H8Cl6O5/c13-4-5(14)11(16)3-2(10(4,15)12(11,17)18)8(21)1-9(3,22)7(20)23-6(8)19/h2-3,6,19,21-22H,1H2/t2?,3?,6?,8?,9?,10?,11? SMILES (mnx) [CH2:1]1[C:8]2([OH:21])[CH:2]3[CH:3]([C:9]1([OH:22])[C:7](=[O:20])[O:23][CH:6]2[OH:19])[C:11]1([Cl:16])[C:5]([Cl:14])=[C:4]([Cl:13])[C:10]3([Cl:15])[C:12]1([Cl:17])[Cl:18]

Parent-child relations graph

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