2-ethylhexyl phthalate

Properties Image MNX_ID MNXM4670 reference chebi:58071 formula C16H21O4 global charge -1 mol weight 277.34 InChIKey DJDSLBVSSOQSLW-UHFFFAOYSA-M InChI InChI=1S/C16H22O4/c1-3-5-8-12(4-2)11-20-16(19)14-10-7-6-9-13(14)15(17)18/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,18)/p-1 SMILES CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)[O-] MNX internals InChI (mnx) InChI=1/C16H22O4/c1-3-5-8-12(4-2)11-20-16(19)14-10-7-6-9-13(14)15(17)18/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,18)/t12? SMILES (mnx) [CH3:1][CH2:3][CH2:5][CH2:8][CH:12]([CH2:4][CH3:2])[CH2:11][O:20][C:16]([C:14]1=[CH:10][CH:7]=[CH:6][CH:9]=[C:13]1[C:15](=[O:17])[OH:18])=[O:19]

Parent-child relations graph

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