Structure & Deep Data of Ethanesulfonic anhydride (C4H10O5S2)
Identification of Ethanesulfonic anhydride Chemical Compound
Chemical Formula | C4H10O5S2 |
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Molecular Weight | 202.2492 g/mol |
IUPAC Name | ethanesulfonyl ethane-1-sulfonate |
SMILES String | CCS(=O)(=O)OS(=O)(=O)CC |
InChI | InChI=1S/C4H10O5S2/c1-3-10(5,6)9-11(7,8)4-2/h3-4H2,1-2H3 |
InChIKey | CCJXQRNXZKSOGJ-UHFFFAOYSA-N |
Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The ethanesulfonic anhydride molecule contains a total of 20 bond(s). There are 10 non-H bond(s), 4 multiple bond(s), 4 rotatable bond(s), 4 double bond(s), and 2 sulfonate(s) (thio-/dithio-). Images of the chemical structure of ethanesulfonic anhydride are given below:
The 2D chemical structure image of ethanesulfonic anhydride is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of ethanesulfonic anhydride are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.
The 3D chemical structure image of ethanesulfonic anhydride is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of ethanesulfonic anhydride. Download structure data file (SDF/MOL) file of this compound.
chemical table area
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of ethanesulfonic anhydride is provided here.
The ethanesulfonic anhydride molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the ethanesulfonic anhydride molecule can be increased or decreased by scrolling the mouse wheel.
The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of ethanesulfonic anhydride can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.
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- Name: ethanol
- CAS #: 64-17-5
- Formula: C2H5OH
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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 Ethanesulfonic anhydride Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of ethanesulfonic anhydride
The SMILES string of ethanesulfonic anhydride is CCS(=O)(=O)OS(=O)(=O)CC, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the ethanesulfonic anhydride.
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Structure Data File (SDF/MOL File) of ethanesulfonic anhydride
The structure data file (SDF/MOL File) of ethanesulfonic anhydride is available for download in the SDF page of ethanesulfonic anhydride, which provides the information about the atoms, bonds, connectivity and coordinates of ethanesulfonic anhydride. The ethanesulfonic anhydride structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of ethanesulfonic anhydride
The molecular formula of ethanesulfonic anhydride is available in chemical formula page of ethanesulfonic anhydride, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of ethanesulfonic anhydride
The molecular weight of ethanesulfonic anhydride is available in molecular weight page of ethanesulfonic anhydride, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.
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Other names (synonyms) or registry numbers of ethanesulfonic anhydride
The ethanesulfonic anhydride compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of ethanesulfonic anhydride including the various registry numbers, if available:
- MFCD22570307
- PUBCHEM_13982209
- ethanesulphonic anhydride
- 13223-06-8
- Ethanesulfonic acid, anhydride
- ethanesulfonic anhydride
Ethanesulfonic anhydride Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of ethanesulfonic anhydride? |
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C4H10O5S2 |
How many atoms and what are the elements included the ethanesulfonic anhydride molecule? |
21 atom(s) - 10 Hydrogen atom(s), 4 Carbon atom(s), 5 Oxygen atom(s), and 2 Sulfur atom(s) |
How many chemical bonds and what kind of bonds are included the ethanesulfonic anhydride structure? |
20 bond(s) - 10 non-H bond(s), 4 multiple bond(s), 4 rotatable bond(s), 4 double bond(s), and 2 sulfonate(s) (thio-/dithio-) |
What’s the ethanesulfonic anhydride’s molecular weight? |
202.2492 g/mol |
What’s the SMILES code of ethanesulfonic anhydride? |
CCS(=O)(=O)OS(=O)(=O)CC |
What’s the InChI string of ethanesulfonic anhydride? |
InChI=1S/C4H10O5S2/c1-3-10(5,6)9-11(7,8)4-2/h3-4H2,1-2H3 |
What’s the InChIKey code of ethanesulfonic anhydride? |
CCJXQRNXZKSOGJ-UHFFFAOYSA-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).