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

Catalog Number
ACM1320201191
Product Name
4,8-Bis((2-octyldodecyl)oxy)benzo[1,2-b:4,5-b']dithiophene
CAS
1320201-19-1
Category
Organic Light-Emitting Diode (OLED) Materials
IUPAC Name
4,8-bis(2-octyldodecoxy)thieno[2,3-f][1]benzothiole
Molecular Weight
783.3g/mol
Molecular Formula
C50H86O2S2
Canonical SMILES
CCCCCCCCCCC(CCCCCCCC)COC1=C2C=CSC2=C(C3=C1SC=C3)OCC(CCCCCCCC)CCCCCCCCCC
InChI
InChI=1S/C50H86O2S2/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/h37-40,43-44H,5-36,41-42H2,1-4H3
InChI Key
YWMYXQDUPQHOKO-UHFFFAOYSA-N
Complexity
756
Covalently-Bonded Unit Count
1
Exact Mass
782.606924g/mol
Formal Charge
0
Heavy Atom Count
54
Monoisotopic Mass
782.606924g/mol
Rotatable Bond Count
38
XLogP3
23.2
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