| SpectraBase Spectrum ID |
3lo6V7K59XO |
| Name |
1,4,6-tris[ 4',5'-bis( Trifluoromethyl)-1',3'-dithiol-2'-ylidene ] cyclohexane-1,3,5-trione |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21F18O3S6 |
| InChI |
InChI=1S/C21F18O3S6/c22-16(23,24)7-8(17(25,26)27)44-13(43-7)1-4(40)2(14-45-9(18(28,29)30)10(46-14)19(31,32)33)6(42)3(5(1)41)15-47-11(20(34,35)36)12(48-15)21(37,38)39 |
| InChIKey |
GBMRICWFKWGYLU-UHFFFAOYSA-N |
| Molecular Weight |
834.559 g/mol |
| SMILES |
C1(=C2SC(C(F)(F)F)=C(S2)C(F)(F)F)C(C(=C2SC(C(F)(F)F)=C(S2)C(F)(F)F)C(C(C1=O)=C1SC(C(F)(F)F)=C(S1)C(F)(F)F)=O)=O |
| SPLASH |
splash10-0540-0000000090-9686d55295e0e54d698c |
| Source of Spectrum |
K-126-2117-12 |
| Wiley ID |
1417566 |
![1,4,6-tris[ 4',5'-bis( Trifluoromethyl)-1',3'-dithiol-2'-ylidene ] cyclohexane-1,3,5-trione](/api/spectrum/3lo6V7K59XO/structure.png?h=300&w=458 "1,4,6-tris[ 4',5'-bis( Trifluoromethyl)-1',3'-dithiol-2'-ylidene ] cyclohexane-1,3,5-trione")
