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4,8-Bis((2-ethylhexyl)oxy)benzo[1,2-b:4,5-b]dithiophene

Catalog Number
ACM1160823777-2
CAS Number
1160823-77-7
Product Name
4,8-Bis((2-ethylhexyl)oxy)benzo[1,2-b:4,5-b]dithiophene
Category
Organic Light-Emitting Diode (OLED) Materials
IUPAC Name
4,8-bis(2-ethylhexoxy)thieno[2,3-f][1]benzothiole
Molecular Weight
446.7g/mol
Molecular Formula
C26H38O2S2
Canonical SMILES
CCCCC(CC)COC1=C2C=CSC2=C(C3=C1SC=C3)OCC(CC)CCCC
InChI
InChI=1S/C26H38O2S2/c1-5-9-11-19(7-3)17-27-23-21-13-15-30-26(21)24(22-14-16-29-25(22)23)28-18-20(8-4)12-10-6-2/h13-16,19-20H,5-12,17-18H2,1-4H3
InChI Key
HATOWNJGYIVNBU-UHFFFAOYSA-N
Complexity
432
Covalently-Bonded Unit Count
1
Exact Mass
446.231323g/mol
Formal Charge
0
Heavy Atom Count
30
Monoisotopic Mass
446.231323g/mol
Rotatable Bond Count
14
XLogP3
10.2
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