Alpha-tocopheryl hydroquinone

Properties Image MNX_ID MNXM166990 reference biggM:CE5021 formula C29H52O3 global charge 0 mol weight 448.732 InChIKey JOURHZSBLWSODQ-UQIPPQJZSA-N InChI InChI=1S/C29H52O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,32)19-17-26-25(7)27(30)23(5)24(6)28(26)31/h20-22,30-32H,9-19H2,1-8H3/t21?,22?,29-/m1/s1 SMILES CC1=C(O)C(C)=C(CC[C@](C)(O)CCCC(C)CCCC(C)CCCC(C)C)C(O)=C1C MNX internals InChI (mnx) InChI=1/C29H52O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,32)19-17-26-25(7)27(30)23(5)24(6)28(26)31/h20-22,30-32H,9-19H2,1-8H3/t21?,22?,29-/m1/s1 SMILES (mnx) [CH3:1][CH:20]([CH3:2])[CH2:12][CH2:9][CH2:13][CH:21]([CH3:3])[CH2:14][CH2:10][CH2:15][CH:22]([CH3:4])[CH2:16][CH2:11][CH2:18][C@:29]([CH3:8])([CH2:19][CH2:17][C:26]1=[C:28]([OH:31])[C:24]([CH3:6])=[C:23]([CH3:5])[C:27]([OH:30])=[C:25]1[CH3:7])[OH:32]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 2