SpectraBase Spectrum ID |
662Xvq2jTUs |
Name |
(1R*,6R*,12S*)-6-Butyl-1,12-(tetramethylene)-5,8-dithia-2,11-dioxacyclododecan-3,10-dione |
Comments |
Edited after expert review for CH2Cl2 contamination - Original record with SpectrumID 793787 moved to the Legacy library |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C16H26O4S2 |
InChI |
InChI=1S/C16H26O4S2/c1-2-3-6-12-9-21-10-15(17)19-13-7-4-5-8-14(13)20-16(18)11-22-12/h12-14H,2-11H2,1H3/t12-,13+,14-/m1/s1 |
InChIKey |
UIPIVBKGUGAXHC-HZSPNIEDSA-N |
Molecular Weight |
346.500 g/mol |
SMILES |
C1(O[C@]2([C@@](OC(CSC[C@](SC1)(CCCC)[H])=O)(CCCC2)[H])[H])=O |
SPLASH |
splash10-001j-9203000000-2790a052e1099c6a1d78 |
Source of Spectrum |
F-51-11438-7 |
Synonyms |
(1R*,6R*,12S*)-6-Butyl-1,12-(tetramethylene)-5,8-dithio-2,11-dioxacyclododecan-3,10-dione
(5R,10aS,14aR)-5-butyloctahydro-1,10,4,7-benzodioxadithiacyclododecin-2,9(3H,8H)-dione |
Wiley ID |
1821213 |