compound 0281510

Properties Image MNX_ID MNXM1193410 reference envipathM:...7b2f3fa267b7 formula C18H29O4S global charge -1 mol weight 341.493 InChIKey IGWAWSYFTDMMMD-UHFFFAOYSA-M InChI InChI=1S/C18H30O4S/c19-16-10-8-6-4-2-1-3-5-7-9-11-17-12-14-18(15-13-17)23(20,21)22/h12-15,19H,1-11,16H2,(H,20,21,22)/p-1 SMILES O=S(=O)([O-])C1=CC=C(CCCCCCCCCCCCO)C=C1 MNX internals InChI (mnx) InChI=1/C18H30O4S/c19-16-10-8-6-4-2-1-3-5-7-9-11-17-12-14-18(15-13-17)23(20,21)22/h12-15,19H,1-11,16H2,(H,20,21,22) SMILES (mnx) [CH2:1]([CH2:2][CH2:4][CH2:6][CH2:8][CH2:10][CH2:16][OH:19])[CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][C:17]1=[CH:13][CH:15]=[C:18]([S:23]([OH:20])(=[O:21])=[O:22])[CH:14]=[CH:12]1

Parent-child relations graph

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