compound 0055833

Properties Image MNX_ID MNXM1187573 reference envipathM:...1e15dcb94d97 formula C8H4F12O2 global charge 0 mol weight 360.094 InChIKey VRDYFGAPTXONQX-UHFFFAOYSA-N InChI InChI=1S/C8H4F12O2/c9-2(1-3(21)22)4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)20/h2H,1H2,(H,21,22) SMILES O=C(O)CC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F MNX internals InChI (mnx) InChI=1/C8H4F12O2/c9-2(1-3(21)22)4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)20/h2H,1H2,(H,21,22)/t2? SMILES (mnx) [CH2:1]([CH:2]([C:4]([C:5]([C:6]([C:7]([C:8]([F:18])([F:19])[F:20])([F:16])[F:17])([F:14])[F:15])([F:12])[F:13])([F:10])[F:11])[F:9])[C:3](=[O:21])[OH:22]

Parent-child relations graph

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