1-(3-Chloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one

Properties Image MNX_ID MNXM165450 reference sabiorkM:28887 formula C13H17ClO4 global charge 0 mol weight 272.728 InChIKey JWBMZIJMSBFBIY-UHFFFAOYSA-N InChI InChI=1S/C13H17ClO4/c1-3-4-5-6-8(15)11-9(16)7-10(18-2)12(14)13(11)17/h7,16-17H,3-6H2,1-2H3 SMILES CCCCCC(=O)C1=C(O)C(Cl)=C(OC)C=C1O MNX internals InChI (mnx) InChI=1/C13H17ClO4/c1-3-4-5-6-8(15)11-9(16)7-10(18-2)12(14)13(11)17/h7,16-17H,3-6H2,1-2H3 SMILES (mnx) [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][C:8]([C:11]1=[C:13]([OH:17])[C:12]([Cl:14])=[C:10]([O:18][CH3:2])[CH:7]=[C:9]1[OH:16])=[O:15]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0