Structure of Sulfurous acid, 2-ethylhexyl isohexyl ester (C14H30O3S)
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Chemical Formula | C14H30O3S |
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Molecular Weight | 278.4512 g/mol |
IUPAC Name | (2-ethylhexyl) (4-methylpentyl) sulfite |
SMILES String | CCCCC(CC)COS(=O)OCCCC(C)C |
InChI | InChI=1S/C14H30O3S/c1-5-7-10-14(6-2)12-17-18(15)16-11-8-9-13(3)4/h13-14H,5-12H2,1-4H3 |
InChIKey | WAMXUMONYFATAP-UHFFFAOYSA-N |
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Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Sulfurous acid, 2-ethylhexyl isohexyl ester molecule contains a total of 47 bond(s). There are 17 non-H bond(s), 1 multiple bond(s), 12 rotatable bond(s), 1 double bond(s), and 1 sulfite(s) (thio-/dithio-). Images of the chemical structure of Sulfurous acid, 2-ethylhexyl isohexyl ester are given below:
The 2D chemical structure image of Sulfurous acid, 2-ethylhexyl isohexyl ester is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Sulfurous acid, 2-ethylhexyl isohexyl ester 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 Sulfurous acid, 2-ethylhexyl isohexyl ester 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 Sulfurous acid, 2-ethylhexyl isohexyl ester. Download structure data file (SDF/MOL) file of this compound.
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of Sulfurous acid, 2-ethylhexyl isohexyl ester is provided here.
The Sulfurous acid, 2-ethylhexyl isohexyl ester 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 Sulfurous acid, 2-ethylhexyl isohexyl ester 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 Sulfurous acid, 2-ethylhexyl isohexyl ester 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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Additional Information for Identifying Sulfurous acid, 2-ethylhexyl isohexyl ester Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of Sulfurous acid, 2-ethylhexyl isohexyl ester
The SMILES string of Sulfurous acid, 2-ethylhexyl isohexyl ester is CCCCC(CC)COS(=O)OCCCC(C)C, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Sulfurous acid, 2-ethylhexyl isohexyl ester.
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Structure Data File (SDF/MOL File) of Sulfurous acid, 2-ethylhexyl isohexyl ester
The structure data file (SDF/MOL File) of Sulfurous acid, 2-ethylhexyl isohexyl ester is available for download in the SDF page of Sulfurous acid, 2-ethylhexyl isohexyl ester, which provides the information about the atoms, bonds, connectivity and coordinates of Sulfurous acid, 2-ethylhexyl isohexyl ester. The Sulfurous acid, 2-ethylhexyl isohexyl ester structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of Sulfurous acid, 2-ethylhexyl isohexyl ester
The molecular formula of Sulfurous acid, 2-ethylhexyl isohexyl ester is available in chemical formula page of Sulfurous acid, 2-ethylhexyl isohexyl ester, 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 Sulfurous acid, 2-ethylhexyl isohexyl ester
The molecular weight of Sulfurous acid, 2-ethylhexyl isohexyl ester is available in molecular weight page of Sulfurous acid, 2-ethylhexyl isohexyl ester, 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 Sulfurous acid, 2-ethylhexyl isohexyl ester
The Sulfurous acid, 2-ethylhexyl isohexyl ester compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Sulfurous acid, 2-ethylhexyl isohexyl ester including the various registry numbers, if available:
- 2-ethylhexyl 4-methylpentyl sulfite
- Sulfurous acid, 2-ethylhexyl isohexyl ester
Sulfurous acid, 2-ethylhexyl isohexyl ester Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of Sulfurous acid, 2-ethylhexyl isohexyl ester? |
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C14H30O3S |
How many atoms and what are the elements included the Sulfurous acid, 2-ethylhexyl isohexyl ester molecule? |
48 atom(s) - 30 Hydrogen atom(s), 14 Carbon atom(s), 3 Oxygen atom(s), and 1 Sulfur atom(s) |
How many chemical bonds and what kind of bonds are included the Sulfurous acid, 2-ethylhexyl isohexyl ester structure? |
47 bond(s) - 17 non-H bond(s), 1 multiple bond(s), 12 rotatable bond(s), 1 double bond(s), and 1 sulfite(s) (thio-/dithio-) |
What’s the Sulfurous acid, 2-ethylhexyl isohexyl ester’s molecular weight? |
278.4512 g/mol |
What’s the SMILES code of Sulfurous acid, 2-ethylhexyl isohexyl ester? |
CCCCC(CC)COS(=O)OCCCC(C)C |
What’s the InChI string of Sulfurous acid, 2-ethylhexyl isohexyl ester? |
InChI=1S/C14H30O3S/c1-5-7-10-14(6-2)12-17-18(15)16-11-8-9-13(3)4/h13-14H,5-12H2,1-4H3 |
What’s the InChIKey code of Sulfurous acid, 2-ethylhexyl isohexyl ester? |
WAMXUMONYFATAP-UHFFFAOYSA-N |