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Fenbutatin Oxide (>90%)

CAT: 0572-TRC-F247230-10GSize: 10 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-F247230-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13356-08-6
Hazard Statement
Fatal if inhaled; UN number: UN3146; Packing Group: I
Smiles
CC(C)(C[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c2ccccc2)O[Sn](CC(C)(C)c3ccccc3)(CC(C)(C)c4ccccc4)CC(C)(C)c5ccccc5)c6ccccc6
Molecular Formula
C60 H78 O Sn2
Molecular Weight
1052.68
InChI
InChI=1S/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;
Additionnal Information
IUPAC name: tris(2-methyl-2-phenylpropyl)-tris(2-methyl-2-phenylpropyl)stannyloxystannane
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

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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