SpectraBase Spectrum ID |
EqLz9Hz0Ble |
Name |
2,5,8-Tris(didodectylamino)benzo[1,2-d:3,4-d':5,6-d"]tristhiazole |
Comments |
Less than 3 mono-isotopic peaks |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C81H150N6S3 |
InChI |
InChI=1S/C81H150N6S3/c1-7-13-19-25-31-37-43-49-55-61-67-85(68-62-56-50-44-38-32-26-20-14-8-2)79-82-73-76(88-79)74-78(90-80(83-74)86(69-63-57-51-45-39-33-27-21-15-9-3)70-64-58-52-46-40-34-28-22-16-10-4)75-77(73)89-81(84-75)87(71-65-59-53-47-41-35-29-23-17-11-5)72-66-60-54-48-42-36-30-24-18-12-6/h7-72H2,1-6H3 |
InChIKey |
YFCQYRABTGCOEA-UHFFFAOYSA-N |
Molecular Weight |
1304.313 g/mol |
SMILES |
c12c(c3nc(N(CCCCCCCCCCCC)CCCCCCCCCCCC)sc3c3c2sc(N(CCCCCCCCCCCC)CCCCCCCCCCCC)n3)sc(n1)N(CCCCCCCCCCCC)CCCCCCCCCCCC |
SPLASH |
splash10-0zfr-0009000000-f0223cf435a7418c5f40 |
Source of Spectrum |
SO-0-981-2 |
Synonyms |
2,5,8-Tris(didodectylamino)benzo[1,2-d:3,4-d':5,6-d'']tristhiazole |
Wiley ID |
875643 |