--- Purity
99%, 99.9%, 99.99%, 99.999%
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Specification
The molecular formula is C41H75NO13Si9.
The synonyms are PSS-Cyanopropyldimethylsilyloxy-Heptacyclopentyl substituted 4-[(3,7,7,11,13,15,15-heptacyclopentyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.11,13.13,9.15,9]icosan-5-yl)oxy-dimethylsilyl]butanenitrile and Cyanopropyldimethylsilyloxy.
The molecular weight is 1042.8 g/mol.
The IUPAC name is 4-[(3,7,7,11,13,15,15-heptacyclopentyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.11,13.13,9.15,9]icosan-5-yl)oxy-dimethylsilyl]butanenitrile.
The InChI is InChI=1S/C41H75NO13Si9/c1-56(2,34-18-17-33-42)43-62-46-58(37-23-7-8-24-37,38-25-9-10-26-38)47-64(55-62)51-60(40-29-13-14-30-40)48-59(39-27-11-12-28-39)44-57(35-19-3-4-20-35,36-21-5-6-22-36)45-63(49-59,50-60)53-61(52-62,54-64)41-31-15-16-32-41/h35-41H,3-32,34H2,1-2H3.
The InChIKey is MBLNWXMDCNMJIP-UHFFFAOYSA-N.
The canonical SMILES is C[Si](C)(CCCC#N)O[Si]12O[Si](O[Si]3(O1)O[Si]4(O[Si]5(O[Si](O[Si](O5)(O4)O[Si](O3)(O2)C6CCCC6)(C7CCCC7)C8CCCC8)C9CCCC9)C1CCCC1)(C1CCCC1)C1CCCC1.
The CAS number is 352538-80-8.
The hydrogen bond donor count is 0.
Yes, it is a canonicalized compound.