| CAS Number | 1320201-22-6 |
| Catalog Number | AG009GMV(AGN-PC-0WNQUD) |
| Chemical Name | (4,8-Bis((2-octyldodecyl)oxy)benzo[1,2-b |
| IUPAC Name | [4,8-bis(2-octyldodecoxy)-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane |
| InChI | InChI=1S/C50H84O2S2.6CH3.2Sn/c1-5-9-13-17-21-23-27-31-35-43(33-29-25-19-15-11-7-3)41-51-47-45-37-39-54-50(45)48(46-38-40-53-49(46)47)52-42-44(34-30-26-20-16-12-8-4)36-32-28-24-22-18-14-10-6-2;;;;;;;;/h37-38,43-44H,5-36,41-42H2,1-4H3;6*1H3;; |
| InChI Key | AZENTBKKKXIGMB-UHFFFAOYSA-N |
| MDL Number | MFCD29472510 |
| Molecular Formula | C56H102O2S2Sn2 |
| Molecular Weight | 1108.9399 |
| SMILES | CCCCCCCCCCC(CCCCCCCC)COc1c2cc(sc2c(c3c1sc(c3)[Sn](C)(C)C)OCC(CCCCCCCC)CCCCCCCCCC)[Sn](C)(C)C |
| Synonyms | 2,6-Bis(trimethylstannyl)-4,8-bis[(2-n-octyldodecyl)oxy]benzo[1,2-b:4,5-b']dithiophene,
1320201-22-6,
B4488,
(4,8-bis((2-octyldodecyl)oxy)benzo[1,2-b:4,5-b']dithiophene-2,6-diyl)bis(trimethylstannane),
AZENTBKKKXIGMB-UHFFFAOYSA-N,
(4,8-Bis((2-octyldodecyl)oxy)benzo[1,2-b:4,5-b']dithiophene-2,6-diyl)bis(trimethylstannane), 98% - 1G 1g,
|
| Complexity | 980 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 1108.536g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 62 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 1108.97g/mol |
| Monoisotopic Mass | 1110.537g/mol |
| Rotatable Bond Count | 40 |
| Topological Polar Surface Area | 74.9A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number