Diisodecyl phthalate

Properties Image MNX_ID MNXM50880 reference chebi:34709 formula C28H46O4 global charge 0 mol weight 446.672 InChIKey ZVFDTKUVRCTHQE-UHFFFAOYSA-N InChI InChI=1S/C28H46O4/c1-23(2)17-11-7-5-9-15-21-31-27(29)25-19-13-14-20-26(25)28(30)32-22-16-10-6-8-12-18-24(3)4/h13-14,19-20,23-24H,5-12,15-18,21-22H2,1-4H3 SMILES CC(C)CCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC(C)C MNX internals InChI (mnx) InChI=1/C28H46O4/c1-23(2)17-11-7-5-9-15-21-31-27(29)25-19-13-14-20-26(25)28(30)32-22-16-10-6-8-12-18-24(3)4/h13-14,19-20,23-24H,5-12,15-18,21-22H2,1-4H3 SMILES (mnx) [CH3:1][CH:23]([CH3:2])[CH2:17][CH2:11][CH2:7][CH2:5][CH2:9][CH2:15][CH2:21][O:31][C:27]([C:25]1=[CH:19][CH:13]=[CH:14][CH:20]=[C:26]1[C:28](=[O:30])[O:32][CH2:22][CH2:16][CH2:10][CH2:6][CH2:8][CH2:12][CH2:18][CH:24]([CH3:3])[CH3:4])=[O:29]

Parent-child relations graph

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