compound 0051602

Properties Image MNX_ID MNXM1181603 reference envipathM:...fef1dc2d7a17 formula C16H24ClNO3 global charge 0 mol weight 313.825 InChIKey ITLQHTQMMWDNLI-UHFFFAOYSA-N InChI InChI=1S/C16H24ClNO3/c1-4-6-10-21-11-18(16(17)20)15-13(5-2)8-7-9-14(15)12(3)19/h7-9,12,19H,4-6,10-11H2,1-3H3 SMILES CCCCOCN(C(=O)Cl)C1=C(C(C)O)C=CC=C1CC MNX internals InChI (mnx) InChI=1/C16H24ClNO3/c1-4-6-10-21-11-18(16(17)20)15-13(5-2)8-7-9-14(15)12(3)19/h7-9,12,19H,4-6,10-11H2,1-3H3/t12? SMILES (mnx) [CH3:1][CH2:4][CH2:6][CH2:10][O:21][CH2:11][N:18]([C:15]1=[C:13]([CH2:5][CH3:2])[CH:8]=[CH:7][CH:9]=[C:14]1[CH:12]([CH3:3])[OH:19])[C:16]([Cl:17])=[O:20]

Parent-child relations graph

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