Fenbutatin oxide
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CAS Number 13356-08-6
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Catalog Number io-2381
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Classification Hydrocarbons
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Molecular Weight 1052.7000
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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
| Size | QTY | Notes | |
|---|---|---|---|
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Fenbutatin oxide is an organotin acaricide.
| 1 | FENBUTATIN OXIDE |
| 2 | Vendex |
| 3 | Fenbutatin-oxide |
| 4 | Torque |
| 5 | Neostanox |
| Molecular Formula | C60H78OSn2 |
|---|---|
| Canonical 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 |
| Isomeric 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 |
| Molecular Weight | 1052.7000 |
| InChIKey | HOXINJBQVZWYGZ-UHFFFAOYSA-N |
| InChI | InChI=1S/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;; |
| XLogP | 0.0000 |
| ExactMass | 1052.4091 |
| MonoisotopicMass | 1054.4097 |
| TPSA | 9.2000 |
| Complexity | 1070.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 1 |
| RotatableBondCount | 20 |
| HeavyAtomCount | 63 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 28604 |
| PatentFamilyCount | 9312 |
| LiteratureCount | 244 |
