7-Hydroxy-9-[2-(3-hydroxyoctyl)-[1,3]dithian-2-yl]non-4-ynoic acid

SpectraBase Compound ID	9TiyWpfAs1x
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 Google Search
Mol Weight	416.6 g/mol
Molecular Formula	C21H36O4S2
Exact Mass	416.205502 g/mol

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SpectraBase Spectrum ID	JYpV7zwmEPf
Name	7-Hydroxy-9-[2-(3-hydroxyoctyl)-[1,3]dithian-2-yl]non-4-ynoic acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. 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	416.635 g/mol
SMILES	OC(CCC#CCC(CCC1(CCC(O)CCCCC)SCCCS1)O)=O
SPLASH	splash10-052f-9421000000-712c7f51e010f3223629
Synonyms	7-Hydroxy-9-[2-(3-hydroxyoctyl)-1,3-dithian-2-yl]-4-nonynoic acid 7-Oxidanyl-9-[2-(3-oxidanyloctyl)-1,3-dithian-2-yl]non-4-ynoic acid
Wiley ID	1484081