Free Chemical Databases
-
[Synonyms]
NSC350632
71451-05-3
[Structure]
[ Properties Computed from Structure]
Molecular Weight 424.50877 [g/mol] Molecular Formula C20H19F3O3SSi H-Bond Donor 0 H-Bond Acceptor 6 Rotatable Bond Count 6 Exact Mass 424.077626 MonoIsotopic Mass 424.077626 Topological Polar Surface Area 43.4 Heavy Atom Count 28 Formal Charge 0 Complexity 714 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: [1,1-di(phenyl)-4-trimethylsilylbut-1-en-3-yn-2-yl]
trifluoromethanesulfonate
Canonical SMILES: C[Si](C)(C)C#CC(=C(C1=CC=CC=C1)C2=CC=CC=C2)OS(=O)(=O)C(F)(F)F
InChI: InChI=1/C20H19F3O3SSi/c1-28(2,3)15-14-18(26-27(24,25)20(21,
22)23)19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H,1-3H3
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