SDF/Mol File of Isatin-3-oxime, 2TBDMS derivative (C20H34N2O2Si2)
Identification of Isatin-3-oxime, 2TBDMS derivative Chemical Compound
| Chemical Formula | C20H34N2O2Si2 |
|---|---|
| Molecular Weight | 390.66716 g/mol |
| IUPAC Name | (3Z)-1-(tert-butyldimethylsilyl)-3-{[(tert-butyldimethylsilyl)oxy]imino}-2,3-dihydro-1H-indol-2-one |
| SMILES String | CC(C)(C)[Si](C)(C)ON=C1C(=O)N(c2ccccc12)[Si](C)(C)C(C)(C)C |
| InChI | InChI=1S/C20H34N2O2Si2/c1-19(2,3)25(7,8)22-16-14-12-11-13-15(16)17(18(22)23)21-24-26(9,10)20(4,5)6/h11-14H,1-10H3/b21-17- |
| InChIKey | VRWDHLUDEGPWIK-FXBPSFAMSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of Isatin-3-oxime, 2TBDMS derivative is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of Isatin-3-oxime, 2TBDMS derivative molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Isatin-3-oxime, 2TBDMS derivative Molecule
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Chemical structure of Isatin-3-oxime, 2TBDMS derivative
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of Isatin-3-oxime, 2TBDMS derivative is available in chemical structure page of Isatin-3-oxime, 2TBDMS derivative, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
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Molecular weight of Isatin-3-oxime, 2TBDMS derivative
The molecular weight of Isatin-3-oxime, 2TBDMS derivative is available in molecular weight page of Isatin-3-oxime, 2TBDMS derivative, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of Isatin-3-oxime, 2TBDMS derivative
The chemical formula of Isatin-3-oxime, 2TBDMS derivative is given in chemical formula page of Isatin-3-oxime, 2TBDMS derivative, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of Isatin-3-oxime, 2TBDMS derivative
An alternative way of expressing structural information in text format is InChI. The full standard InChI of Isatin-3-oxime, 2TBDMS derivative is:
InChI=1S/C20H34N2O2Si2/c1-19(2,3)25(7,8)22-16-14-12-11-13-15(16)17(18(22)23)21-24-26(9,10)20(4,5)6/h11-14H,1-10H3/b21-17-
It can provide a standard way to encode the molecular information of Isatin-3-oxime, 2TBDMS derivative to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of Isatin-3-oxime, 2TBDMS derivative is:
InChIKey=VRWDHLUDEGPWIK-FXBPSFAMSA-N
The InChIKey may allow easier web searches for Isatin-3-oxime, 2TBDMS derivative, but it needs to be linked to the full InChI to get back to the original structure of the Isatin-3-oxime, 2TBDMS derivative since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Isatin-3-oxime, 2TBDMS derivative
The Isatin-3-oxime, 2TBDMS derivative compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of Isatin-3-oxime, 2TBDMS derivative including the registry numbers are listed below, if available:
- (3Z)-1-[tert-Butyl(dimethyl)silyl]-1H-indole-2,3-dione 3-(O-[tert-butyl(dimethyl)silyl]oxime) #
- 1H-Indole-2,3-dione, 1-(tert-butyldimethylsilyl)-, 3-[O-(tert-butyldimethylsilyl)oxime]
- Isatin-3-oxime, 2TBDMS derivative
Isatin-3-oxime, 2TBDMS derivative Identification Summary Frequently Asked Questions (FAQs)
| What’s the Isatin-3-oxime, 2TBDMS derivative formula? |
|---|
| C20H34N2O2Si2 |
| How many atoms and what elements are included in the Isatin-3-oxime, 2TBDMS derivative molecule? |
| 60 atom(s) - 34 Hydrogen atom(s), 20 Carbon atom(s), 2 Nitrogen atom(s), and 2 Oxygen atom(s) |
| How many chemical bonds and what kind of bonds are in the Isatin-3-oxime, 2TBDMS derivative structure? |
| 61 bond(s) - 27 non-H bond(s), 8 multiple bond(s), 5 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), and 1 nine-membered ring(s) |
| What’s the Isatin-3-oxime, 2TBDMS derivative’s molar mass? |
| 390.66716 g/mol |
| What’s the SMILES structure of Isatin-3-oxime, 2TBDMS derivative? |
| CC(C)(C)[Si](C)(C)ON=C1C(=O)N(c2ccccc12)[Si](C)(C)C(C)(C)C |
| What’s the InChI code of Isatin-3-oxime, 2TBDMS derivative? |
| InChI=1S/C20H34N2O2Si2/c1-19(2,3)25(7,8)22-16-14-12-11-13-15(16)17(18(22)23)21-24-26(9,10)20(4,5)6/h11-14H,1-10H3/b21-17- |
| What’s the InChIKey format of Isatin-3-oxime, 2TBDMS derivative? |
| VRWDHLUDEGPWIK-FXBPSFAMSA-N |
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commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).