compound 0281571

Properties Image MNX_ID MNXM1187086 reference envipathM:...10dccaa24e1a formula C18H27O5S global charge -1 mol weight 355.476 InChIKey UUTHCZWTBGZFNQ-UHFFFAOYSA-M InChI InChI=1S/C18H28O5S/c19-15-11-7-5-3-1-2-4-6-8-13-17(20)16-12-9-10-14-18(16)24(21,22)23/h9-10,12,14-15,17,20H,1-8,11,13H2,(H,21,22,23)/p-1 SMILES O=CCCCCCCCCCCC(O)C1=C(S(=O)(=O)[O-])C=CC=C1 MNX internals InChI (mnx) InChI=1/C18H28O5S/c19-15-11-7-5-3-1-2-4-6-8-13-17(20)16-12-9-10-14-18(16)24(21,22)23/h9-10,12,14-15,17,20H,1-8,11,13H2,(H,21,22,23)/t17? SMILES (mnx) [CH2:1]([CH2:2][CH2:4][CH2:6][CH2:8][CH2:13][CH:17]([C:16]1=[CH:12][CH:9]=[CH:10][CH:14]=[C:18]1[S:24]([OH:21])(=[O:22])=[O:23])[OH:20])[CH2:3][CH2:5][CH2:7][CH2:11][CH:15]=[O:19]

Parent-child relations graph

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