1158-10-7 Purity
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Specification
The molecular formula is C24H38S2Si.
The molecular weight is 418.8 g/mol.
The IUPAC name is 7,7-dioctyl-3,11-dithia-7-silatricyclo[6.3.0.0 2,6]undeca-1(8),2(6),4,9-tetraene.
The InChI is 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.
The InChIKey is AUESHXZKMJNIJC-UHFFFAOYSA-N.
The canonical SMILES is CCCCCCCC[Si]1(C2=C(C3=C1C=CS3)SC=C2)CCCCCCCC.
The CAS number is 1160106-12-6.
The DSSTox Substance ID is DTXSID00738134.
The Nikkaji Number is J3.022.592I.
Yes, 4,4-Dioctyl-4H-silolo[3,2-b:4,5-b]dithiophene is a canonicalized compound.