6-Hydroxy-8-[2-(3-hydroxy-nonyl)-[1,3]dithian-2-yl]-oct-3-ynoic acid

SpectraBase Compound ID	2xDAIC6sfZF
InChI	InChI=1S/C21H36O4S2/c1-2-3-4-5-9-18(22)12-14-21(26-16-8-17-27-21)15-13-19(23)10-6-7-11-20(24)25/h18-19,22-23H,2-5,8-17H2,1H3,(H,24,25)
InChIKey	KRHSMCMWMMXSGZ-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	E8oE9o9Kr6W
Name	6-Hydroxy-8-[2-(3-hydroxy-nonyl)-[1,3]dithian-2-yl]-oct-3-ynoic acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H36O4S2
InChI	InChI=1S/C21H36O4S2/c1-2-3-4-5-9-18(22)12-14-21(26-16-8-17-27-21)15-13-19(23)10-6-7-11-20(24)25/h18-19,22-23H,2-5,8-17H2,1H3,(H,24,25)
InChIKey	KRHSMCMWMMXSGZ-UHFFFAOYSA-N
Molecular Weight	416.635 g/mol
SMILES	OC(CC#CCC(=O)O)CCC1(SCCCS1)CCC(CCCCCC)O
SPLASH	splash10-0a4i-7966000000-618e4d7fe91e01c23eeb
Synonyms	6-Hydroxy-8-[2-(3-hydroxynonyl)-1,3-dithian-2-yl]-3-octynoic acid 6-Oxidanyl-8-[2-(3-oxidanylnonyl)-1,3-dithian-2-yl]oct-3-ynoic acid
Wiley ID	1481858