| SpectraBase Spectrum ID |
GjZhZx5UqlG |
| Name |
4-{(5Z)-5-[4-(Octyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}butanoic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
419.176644207 u |
| Formula |
C22H29NO5S |
| InChI |
InChI=1S/C22H29NO5S/c1-2-3-4-5-6-7-15-28-18-12-10-17(11-13-18)16-19-21(26)23(22(27)29-19)14-8-9-20(24)25/h10-13,16H,2-9,14-15H2,1H3,(H,24,25)/b19-16- |
| InChIKey |
YJZRSMZRBMHHKT-MNDPQUGUSA-N |
| Molecular Weight |
419.536 g/mol |
| SMILES |
OC(CCCN1C(S\C(C1=O)=C\C=1C=CC(=CC1)OCCCCCCCC)=O)=O |
![4-{(5Z)-5-[4-(octyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}butanoic acid](/api/spectrum/GjZhZx5UqlG/structure.png?h=300&w=458 "4-{(5Z)-5-[4-(octyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}butanoic acid")
