SDF/Mol File of Vancide PA (C8H16O4S2)
Identification of Vancide PA Chemical Compound
| Chemical Formula | C8H16O4S2 |
|---|---|
| Molecular Weight | 240.34024 g/mol |
| IUPAC Name | 1-{[(E)-2-(propane-1-sulfonyl)ethene]sulfonyl}propane |
| SMILES String | CCCS(=O)(=O)C=CS(=O)(=O)CCC |
| InChI | InChI=1S/C8H16O4S2/c1-3-5-13(9,10)7-8-14(11,12)6-4-2/h7-8H,3-6H2,1-2H3/b8-7+ |
| InChIKey | YTPMCWYIRHLEGM-BQYQJAHWSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of Vancide PA 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 Vancide PA 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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Additional Information for Identifying Vancide PA Molecule
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Chemical structure of Vancide PA
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of Vancide PA is available in chemical structure page of Vancide PA, 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 Vancide PA
The molecular weight of Vancide PA is available in molecular weight page of Vancide PA, 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 Vancide PA
The chemical formula of Vancide PA is given in chemical formula page of Vancide PA, 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 Vancide PA
An alternative way of expressing structural information in text format is InChI. The full standard InChI of Vancide PA is:
InChI=1S/C8H16O4S2/c1-3-5-13(9,10)7-8-14(11,12)6-4-2/h7-8H,3-6H2,1-2H3/b8-7+
It can provide a standard way to encode the molecular information of Vancide PA 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 Vancide PA is:
InChIKey=YTPMCWYIRHLEGM-BQYQJAHWSA-N
The InChIKey may allow easier web searches for Vancide PA, but it needs to be linked to the full InChI to get back to the original structure of the Vancide PA since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Vancide PA
The Vancide PA compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of Vancide PA including the registry numbers are listed below, if available:
- Propane, {1,1'-[1,2-ethenediylbis(sulfonyl)]bis-,} (E)-
- Trans-1, 2-Bis(propylsulfonyl)ethene
- Trans-1, 2-Bis(propylsulfonyl)ethylene
- Vancide PA dispersion
- Propane, 1,1'-(1,2-ethenediylbis(sulfonyl))bis-, (E)- (9CI)
- Preseed
- EPA Pesticide Chemical Code 011701
- Chemagro B-1843
- Caswell No. 099
- B-1843
- (E)-1,2-Bis(propylsulfonyl)ethylene
- (E)-1,1'-(Vinylenebis(sulphonyl))bispropane
- (E)-1,1'-(1,2-Ethenediylbis(sulfonyl)bis(propane))
- 1,2-Bis(propylsulfonyl)ethylene
- 1-(2-propylsulfonylvinylsulfonyl)propane
- 1-[(E)-2-propylsulfonylvinyl]sulfonylpropane
- 1-(2-propylsulfonylethenylsulfonyl)propane
Vancide PA Identification Summary Frequently Asked Questions (FAQs)
| What’s the Vancide PA formula? |
|---|
| C8H16O4S2 |
| How many atoms and what elements are included in the Vancide PA molecule? |
| 30 atom(s) - 16 Hydrogen atom(s), 8 Carbon atom(s), 4 Oxygen atom(s), and 2 Sulfur atom(s) |
| How many chemical bonds and what kind of bonds are in the Vancide PA structure? |
| 29 bond(s) - 13 non-H bond(s), 5 multiple bond(s), 6 rotatable bond(s), 5 double bond(s), and 2 sulfone(s) |
| What’s the Vancide PA’s molar mass? |
| 240.34024 g/mol |
| What’s the SMILES structure of Vancide PA? |
| CCCS(=O)(=O)C=CS(=O)(=O)CCC |
| What’s the InChI code of Vancide PA? |
| InChI=1S/C8H16O4S2/c1-3-5-13(9,10)7-8-14(11,12)6-4-2/h7-8H,3-6H2,1-2H3/b8-7+ |
| What’s the InChIKey format of Vancide PA? |
| YTPMCWYIRHLEGM-BQYQJAHWSA-N |
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).