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Fenbutatin oxide (Standard)

CAT: 0804-HY-133004RSize: 1 EachDry Ice: NoHazardous: No
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Description
Fenbutatin oxide (Standard) is the analytical standard of Fenbutatin oxide. This product is intended for research and analytical applications. Fenbutatin oxide is an organotin acaricide[1].
CAS Number
13356-08-6
UNSPSC
12352005
Target
Parasite; Reference Standards
Type
Reference Standards
Related Pathways
Anti-infection; Others
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/fenbutatin-oxide-standard.html
Smiles
CC(C1=CC=CC=C1)(C)C[Sn](CC(C2=CC=CC=C2)(C)C)(CC(C3=CC=CC=C3)(C)C)O[Sn](CC(C4=CC=CC=C4)(C)C)(CC(C5=CC=CC=C5)(C)C)CC(C6=CC=CC=C6)(C)C
Molecular Formula
C60H78OSn2
Molecular Weight
1052.68
References & Citations
[1]R Montes, et al. Matrix solid-phase dispersion and solid-phase microextraction applied to study the distribution of fenbutatin oxide in grapes and white wine. Anal Bioanal Chem. 2009 Dec;395 (8) :2601-10.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Fenbutatin oxide

Fenbutatin oxide is an organotin acaricide.

CAS Number13356-08-6
PubChem CID16683004
IUPAC Nametris(2-methyl-2-phenylpropyl)-tris(2-methyl-2-phenylpropyl)stannyloxystannane
Molecular FormulaC60H78OSn2
Molecular Weight1052.7
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count20
Heavy Atom Count63
Formal Charge0
Complexity1070
SMILES
CC(C)(C[Sn](CC(C)(C)C1=CC=CC=C1)(CC(C)(C)C2=CC=CC=C2)O[Sn](CC(C)(C)C3=CC=CC=C3)(CC(C)(C)C4=CC=CC=C4)CC(C)(C)C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;
InChIKey
HOXINJBQVZWYGZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fenbutatin oxide
CAS: 13356-08-6
CID: 16683004
Formula: C60H78OSn2
MW: 1052.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1052.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count20
Exact Mass1052.40908
Monoisotopic Mass1054.40967
Topological Polar Surface Area9.2 Ų
Heavy Atom Count63
Formal Charge0
Complexity1070
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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