| SpectraBase Spectrum ID |
FjtEa1D8M5I |
| Name |
1-(4-Methyl-4',5'-dipentyltetrathiafulvalenyl-5-carbonyloxymethyl)-4-(13,13,14,14-tetracyanoanthraquinodimethane-2-sulfonyloxy)benzene |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C44H36N4O5S5 |
| InChI |
InChI=1S/C44H36N4O5S5/c1-4-6-8-14-37-38(15-9-7-5-2)56-44(55-37)43-54-27(3)41(57-43)42(49)52-30-16-18-31(19-17-30)53-58(50,51)32-20-21-35-36(22-32)40(29(25-47)26-48)34-13-11-10-12-33(34)39(35)28(23-45)24-46/h10-13,16-22H,4-9,14-15H2,1-3H3 |
| InChIKey |
PDYPPWITLWGEHG-UHFFFAOYSA-N |
| Molecular Weight |
861.095 g/mol |
| SMILES |
C=1(SC(=C2SC(CCCCC)=C(S2)CCCCC)SC1C)C(Oc1ccc(OS(c2cc3C(c4ccccc4C(c3cc2)=C(C#N)C#N)=C(C#N)C#N)(=O)=O)cc1)=O |
| SPLASH |
splash10-0a4i-0900000010-5c8ce9b9d32e1f82da9e |
| Source of Spectrum |
J-66-4523-18 |
| Synonyms |
2-(4,5-dipentyl-1,3-dithiol-2-ylidene)-5-methyl-1,3-dithiole-4-carboxylic acid [4-[[9,10-bis(dicyanomethylidene)-2-anthracenyl]sulfonyloxy]phenyl] ester
[4-[[9,10-bis(dicyanomethylene)-2-anthryl]sulfonyloxy]phenyl] 2-(4,5-dipentyl-1,3-dithiol-2-ylidene)-5-methyl-1,3-dithiole-4-carboxylate
[4-[9,10-bis(dicyanomethylidene)anthracen-2-yl]sulfonyloxyphenyl] 2-(4,5-dipentyl-1,3-dithiol-2-ylidene)-5-methyl-1,3-dithiole-4-carboxylate |
| Wiley ID |
1535424 |
