compound 0097776

Properties Image MNX_ID MNXM1197561 reference envipathM:...428b421263f3 formula C12H10Cl4O6 global charge 0 mol weight 392.018 InChIKey WDAIQMRQKYULNX-UHFFFAOYSA-N InChI InChI=1S/C12H10Cl4O6/c13-4-2-8(19)10(20)3-1-5(22-7(18)6(3)17)11(10,21)9(4,14)12(8,15)16/h2-3,5-6,17,19-21H,1H2 SMILES O=C1OC2CC(C1O)C1(O)C3(O)C=C(Cl)C(Cl)(C3(Cl)Cl)C21O MNX internals InChI (mnx) InChI=1/C12H10Cl4O6/c13-4-2-8(19)10(20)3-1-5(22-7(18)6(3)17)11(10,21)9(4,14)12(8,15)16/h2-3,5-6,17,19-21H,1H2/t3?,5?,6?,8?,9?,10?,11? SMILES (mnx) [CH2:1]1[CH:3]2[CH:6]([OH:17])[C:7](=[O:18])[O:22][CH:5]1[C:11]1([OH:21])[C:9]3([Cl:14])[C:4]([Cl:13])=[CH:2][C:8]([OH:19])([C:10]21[OH:20])[C:12]3([Cl:15])[Cl:16]

Parent-child relations graph

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