compound 0081496

Properties Image MNX_ID MNXM1190767 reference envipathM:...372655df5903 formula C12H11Cl5O3 global charge 0 mol weight 380.482 InChIKey PVVGCGDXONHIDW-UHFFFAOYSA-N InChI InChI=1S/C12H11Cl5O3/c13-4-2-9(14)7-8(18)1-3(5-6(8)20-5)10(7,19)11(4,15)12(9,16)17/h3-7,18-19H,1-2H2 SMILES OC12CC(C3OC31)C1(O)C2C2(Cl)CC(Cl)C1(Cl)C2(Cl)Cl MNX internals InChI (mnx) InChI=1/C12H11Cl5O3/c13-4-2-9(14)7-8(18)1-3(5-6(8)20-5)10(7,19)11(4,15)12(9,16)17/h3-7,18-19H,1-2H2/t3?,4?,5?,6?,7?,8?,9?,10?,11? SMILES (mnx) [CH2:1]1[CH:3]2[CH:5]3[CH:6]([C:8]1([OH:18])[CH:7]1[C:9]4([Cl:14])[CH2:2][CH:4]([Cl:13])[C:11]([Cl:15])([C:10]21[OH:19])[C:12]4([Cl:16])[Cl:17])[O:20]3

Parent-child relations graph

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