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7,7-Dioctyl-7H-3,4-dithia-7-sila-cyclopenta[a]pentalene

Catalog Number
ACM1160106126-1
CAS Number
1160106-12-6
Product Name
7,7-Dioctyl-7H-3,4-dithia-7-sila-cyclopenta[a]pentalene
Structure
Category
Organic Light-Emitting Diode (OLED) Materials
IUPAC Name
7,7-dioctyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
Molecular Weight
418.8g/mol
Molecular Formula
C24H38S2Si
Canonical SMILES
CCCCCCCC[Si]1(C2=C(C3=C1C=CS3)SC=C2)CCCCCCCC
InChI
InChI=1S/C24H38S2Si/c1-3-5-7-9-11-13-19-27(20-14-12-10-8-6-4-2)21-15-17-25-23(21)24-22(27)16-18-26-24/h15-18H,3-14,19-20H2,1-2H3
InChI Key
AUESHXZKMJNIJC-UHFFFAOYSA-N
Complexity
375
Covalently-Bonded Unit Count
1
Exact Mass
418.21842g/mol
Formal Charge
0
Heavy Atom Count
27
Monoisotopic Mass
418.21842g/mol
Rotatable Bond Count
14
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