SpectraBase Spectrum ID |
IFC08hHwezc |
Name |
TTF Para-2-Ester [4,5-Bis(hexylthia)-4'-methylthia-5'-(4-methoxycarbonylbenzylthia)tetrathiafulvalene] |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C28H38O2S8 |
InChI |
InChI=1S/C28H38O2S8/c1-5-7-9-11-17-32-25-26(33-18-12-10-8-6-2)38-28(37-25)27-35-23(31-4)24(36-27)34-19-20-13-15-21(16-14-20)22(29)30-3/h13-16H,5-12,17-19H2,1-4H3 |
InChIKey |
HKGGWVPVCFCEDZ-UHFFFAOYSA-N |
Molecular Weight |
663.090 g/mol |
SMILES |
C1(=C2SC(SCCCCCC)=C(S2)SCCCCCC)SC(SCc2ccc(C(=O)OC)cc2)=C(S1)SC |
SPLASH |
splash10-03di-0100009000-8c8767359271b3717b23 |
Source of Spectrum |
F-67-9136-4 |
Synonyms |
Methyl 4-[[2-[4,5-bis(hexylsulfanyl)-1,3-dithiol-2-ylidene]-5-methylsulfanyl-1,3-dithiol-4-yl]sulfanylmethyl]benzoate |
Wiley ID |
1571367 |