| SpectraBase Spectrum ID |
DxQMLrgclAV |
| Name |
7-HYDROXY-9-[2-(3-HYDROXYOCTYL)-[1,3]DITHIAN-2-YL]-NON-4-YNOIC ACID |
| Copyright |
Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula |
C21H36O4S2 |
| InChI |
InChI=1S/C21H36O4S2/c1-2-3-5-9-18(22)12-14-21(26-16-8-17-27-21)15-13-19(23)10-6-4-7-11-20(24)25/h18-19,22-23H,2-3,5,7-17H2,1H3,(H,24,25) |
| InChIKey |
CEEXBLIQCLQCFK-UHFFFAOYSA-N |
| Molecular Weight |
416.2046 |
| SMILES |
OC(CCC1(CCC(CC#CCCC(O)=O)O)SCCCS1)CCCCC |
| SPLASH |
splash10-052f-9421000000-c9a3690a5019b91e6f8a |
| Source of Spectrum |
Chemical Concepts, A Wiley Division, Weinheim, Germany |
![7-Hydroxy-9-[2-(3-hydroxyoctyl)-[1,3]dithian-2-yl]non-4-ynoic acid](/api/spectrum/DxQMLrgclAV/structure.png?h=300&w=458 "7-Hydroxy-9-[2-(3-hydroxyoctyl)-[1,3]dithian-2-yl]non-4-ynoic acid")
