tergitol NP-9

Properties Image MNX_ID MNXM161462 reference chebi:53775 formula C33H60O10 global charge 0 mol weight 616.833 InChIKey FBWNMEQMRUMQSO-UHFFFAOYSA-N InChI InChI=1S/C33H60O10/c1-2-3-4-5-6-7-8-9-32-10-12-33(13-11-32)43-31-30-42-29-28-41-27-26-40-25-24-39-23-22-38-21-20-37-19-18-36-17-16-35-15-14-34/h10-13,34H,2-9,14-31H2,1H3 SMILES CCCCCCCCCC1=CC=C(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)C=C1 MNX internals InChI (mnx) InChI=1/C33H60O10/c1-2-3-4-5-6-7-8-9-32-10-12-33(13-11-32)43-31-30-42-29-28-41-27-26-40-25-24-39-23-22-38-21-20-37-19-18-36-17-16-35-15-14-34/h10-13,34H,2-9,14-31H2,1H3 SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][C:32]1=[CH:11][CH:13]=[C:33]([O:43][CH2:31][CH2:30][O:42][CH2:29][CH2:28][O:41][CH2:27][CH2:26][O:40][CH2:25][CH2:24][O:39][CH2:23][CH2:22][O:38][CH2:21][CH2:20][O:37][CH2:19][CH2:18][O:36][CH2:17][CH2:16][O:35][CH2:15][CH2:14][OH:34])[CH:12]=[CH:10]1

Parent-child relations graph

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