Calcium undecylenate (USP)

Properties Image MNX_ID MNXM153111 reference keggD:D03315 formula C22H38CaO4 global charge 0 mol weight 406.62 InChIKey CLOKKBBIKHZGNX-UHFFFAOYSA-L InChI InChI=1S/2C11H20O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11(12)13;/h2*2H,1,3-10H2,(H,12,13);/q;;+2/p-2 SMILES C=CCCCCCCCCC(=O)[O-].C=CCCCCCCCCC(=O)[O-].[Ca+2] MNX internals InChI (mnx) InChI=1/2C11H20O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11(12)13;/h2*2H,1,3-10H2,(H,12,13);/q;;+2 SMILES (mnx) [CH2:14]=[CH:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][C:24](=[O:25])[OH:26].[CH2:1]=[CH:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][C:11](=[O:12])[OH:13].[Ca+2:27]

Parent-child relations graph

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