| CAS Number | 1271439-08-7 |
| Catalog Number | AG009WPS(AGN-PC-0WNPXE) |
| Chemical Name | (4,8-Bis((2-butyloctyl)oxy)benzo[1,2-b:4,5-b']dithiophene-2,6-diyl)bis(trimethylstannane) |
| IUPAC Name | [4,8-bis(2-butyloctoxy)-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane |
| InChI | InChI=1S/C34H52O2S2.6CH3.2Sn/c1-5-9-13-15-19-27(17-11-7-3)25-35-31-29-21-23-38-34(29)32(30-22-24-37-33(30)31)36-26-28(18-12-8-4)20-16-14-10-6-2;;;;;;;;/h21-22,27-28H,5-20,25-26H2,1-4H3;6*1H3;; |
| InChI Key | SWDLPBRTONKXQI-UHFFFAOYSA-N |
| MDL Number | MFCD28144735 |
| Molecular Formula | C40H70O2S2Sn2 |
| Molecular Weight | 884.5146 |
| SMILES | C(CCC)C(COC1=C2C(SC(=C2)[Sn](C)(C)C)=C(C2=C1SC(=C2)[Sn](C)(C)C)OCC(CCCCCC)CCCC)CCCCCC |
| Synonyms | 1271439-08-7,
4,8-Bis(2-butyl-n-octyloxy)-2,6-bis(trimethylstannyl)benzo[1,2-b:4,5-b']dithiophene,
SWDLPBRTONKXQI-UHFFFAOYSA-N,
SCHEMBL2726768,
MFCD28144735,
B4685,
(4,8-Bis((2-butyloctyl)oxy)benzo[1,2-b:4,5-b']dithiophene-2,6-diyl)bis(trimethylstannane),
|
| Complexity | 748 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 884.286g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 46 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 884.538g/mol |
| Monoisotopic Mass | 886.286g/mol |
| Rotatable Bond Count | 24 |
| 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