SpectraBase Spectrum ID |
CmNnsxIaOIH |
Name |
TTF para-2-Acid [4,5-Bis(hexylthia)-4'-methylthia-5'-(4-carboxybenzylthia)tetrathiafulvalene] |
Alternate Name(s) |
4-[[2-[4,5-bis(hexylsulfanyl)-1,3-dithiol-2-ylidene]-5-methylsulfanyl-1,3-dithiol-4-yl]sulfanylmethyl]benzoic acid |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C27H36O2S8 |
InChI |
InChI=1S/C27H36O2S8/c1-4-6-8-10-16-31-24-25(32-17-11-9-7-5-2)37-27(36-24)26-34-22(30-3)23(35-26)33-18-19-12-14-20(15-13-19)21(28)29/h12-15H,4-11,16-18H2,1-3H3,(H,28,29) |
InChIKey |
ZHGIIUHSEJLSQP-UHFFFAOYSA-N |
Molecular Weight |
649.063 g/mol |
SMILES |
OC(c1ccc(CSC=2SC(=C3SC(SCCCCCC)=C(S3)SCCCCCC)SC2SC)cc1)=O |
SPLASH |
splash10-01ot-0100039000-3ff5012c2e4ce477b9c3 |
Source of Spectrum |
F-67-9136-5 |
Wiley ID |
1571366 |