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4,8-Bis-n-octyloxybenzo[1,2-b:4,5-b']dithiophene

Catalog Number
ACM1098102943
CAS Number
1098102-94-3
Product Name
4,8-Bis-n-octyloxybenzo[1,2-b:4,5-b']dithiophene
Structure
Category
Small Molecule Semiconductor Building Blocks
IUPAC Name
4,8-dioctoxythieno[2,3-f][1]benzothiole
Molecular Weight
446.7g/mol
Molecular Formula
C26H38O2S2
Canonical SMILES
CCCCCCCCOC1=C2C=CSC2=C(C3=C1SC=C3)OCCCCCCCC
InChI
InChI=1S/C26H38O2S2/c1-3-5-7-9-11-13-17-27-23-21-15-19-30-26(21)24(22-16-20-29-25(22)23)28-18-14-12-10-8-6-4-2/h15-16,19-20H,3-14,17-18H2,1-2H3
InChI Key
LWSGUMOETOXOHL-UHFFFAOYSA-N
Complexity
407
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
16
XLogP3
10.7
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