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Structure of Sulfurous acid, 2-ethylhexyl isohexyl ester (C14H30O3S)

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2D chemical structure image of Sulfurous acid, 2-ethylhexyl isohexyl ester
Chemical Formula C14H30O3S
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:

2D chemical structure image of Sulfurous acid, 2-ethylhexyl isohexyl ester
2-dimensional (2D) chemical structure image of Sulfurous acid, 2-ethylhexyl isohexyl ester
3D chemical structure image of Sulfurous acid, 2-ethylhexyl isohexyl ester
3-dimensional (3D) chemical structure image of Sulfurous acid, 2-ethylhexyl isohexyl ester

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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  • CAS #: 64-17-5
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Additional Information for Identifying Sulfurous acid, 2-ethylhexyl isohexyl ester Molecule

  • 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?
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