6-[4-(5,5-dimethyltetrahydrofuran-3-yl)phenoxy]hexanoic acid

Properties Image MNX_ID MNXM102090 reference chebi:71528 formula C18H26O4 global charge 0 mol weight 306.402 InChIKey XCOQKBFJVUFNGL-UHFFFAOYSA-N InChI InChI=1S/C18H26O4/c1-18(2)12-15(13-22-18)14-7-9-16(10-8-14)21-11-5-3-4-6-17(19)20/h7-10,15H,3-6,11-13H2,1-2H3,(H,19,20) SMILES CC1(C)CC(C2=CC=C(OCCCCCC(=O)O)C=C2)CO1 MNX internals InChI (mnx) InChI=1/C18H26O4/c1-18(2)12-15(13-22-18)14-7-9-16(10-8-14)21-11-5-3-4-6-17(19)20/h7-10,15H,3-6,11-13H2,1-2H3,(H,19,20)/t15? SMILES (mnx) [CH3:1][C:18]1([CH3:2])[CH2:12][CH:15]([C:14]2=[CH:8][CH:10]=[C:16]([O:21][CH2:11][CH2:5][CH2:3][CH2:4][CH2:6][C:17](=[O:19])[OH:20])[CH:9]=[CH:7]2)[CH2:13][O:22]1

Parent-child relations graph

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