| SpectraBase Spectrum ID |
HtWVtQBhMQP |
| Name |
1,2,3-tris[Trifluoroacetoxy]-4-[(N-(trifluoroacetyl)-S-Cysteinyl-Glutathionyl))-1,2,3,4-tetrahydrobenzene |
| Alternate Name(s) |
Cysteine-gsh adduct of bde-tetrakis(trifluoroacetyl) derivative |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H17F12NO9S |
| InChI |
InChI=1S/C20H17F12NO9S/c1-2-5-39-12(34)7(33-13(35)17(21,22)23)6-43-9-4-3-8(40-14(36)18(24,25)26)10(41-15(37)19(27,28)29)11(9)42-16(38)20(30,31)32/h3-4,7-11H,2,5-6H2,1H3,(H,33,35) |
| InChIKey |
JKJNYKVKWFLCFB-UHFFFAOYSA-N |
| Molecular Weight |
675.395 g/mol |
| SMILES |
N(C(C(F)(F)F)=O)C(CSC1C(C(OC(C(F)(F)F)=O)C(OC(C(F)(F)F)=O)C=C1)OC(C(F)(F)F)=O)C(=O)OCCC |
| SPLASH |
splash10-0gb9-7951000000-133b543f2efd8c5100db |
| Source of Spectrum |
CRT-18-1183-R |
| Wiley ID |
1710107 |
![1,2,3-tris[Trifluoroacetoxy]-4-[(N-(trifluoroacetyl)-S-Cysteinyl-Glutathionyl))-1,2,3,4-tetrahydrobenzene](/api/spectrum/HtWVtQBhMQP/structure.png?h=300&w=458 "1,2,3-tris[Trifluoroacetoxy]-4-[(N-(trifluoroacetyl)-S-Cysteinyl-Glutathionyl))-1,2,3,4-tetrahydrobenzene")
