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Structure of 5-[(1-sulfocyclohexyl)oxy]cyclohexane-1,3-dicarboxylic acid (C14H22O8S)

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2D chemical structure image of 5-[(1-sulfocyclohexyl)oxy]cyclohexane-1,3-dicarboxylic acid
Chemical Formula C14H22O8S
Molecular Weight 350.38468 g/mol
IUPAC Name 5-[(1-sulfocyclohexyl)oxy]cyclohexane-1,3-dicarboxylic acid
SMILES String OC(=O)C1CC(CC(C1)C(O)=O)OC2(CCCCC2)S(O)(=O)=O
InChI InChI=1S/C14H22O8S/c15-12(16)9-6-10(13(17)18)8-11(7-9)22-14(23(19,20)21)4-2-1-3-5-14/h9-11H,1-8H2,(H,15,16)(H,17,18)(H,19,20,21)
InChIKey VJJVMHZHTCNWAY-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 5-[(1-sulfocyclohexyl)oxy]cyclohexane-1,3-dicarboxylic acid molecule contains a total of 46 bond(s). There are 24 non-H bond(s), 4 multiple bond(s), 5 rotatable bond(s), 4 double bond(s), 2 six-membered ring(s), 2 carboxylic acid(s) (aliphatic), 3 hydroxyl group(s), 1 ether(s) (aliphatic), and 1 sulfonic (thio-/dithio-) acid(s). Images of the chemical structure of 5-[(1-sulfocyclohexyl)oxy]cyclohexane-1,3-dicarboxylic acid are given below:

2D chemical structure image of 5-[(1-sulfocyclohexyl)oxy]cyclohexane-1,3-dicarboxylic acid
2-dimensional (2D) chemical structure image of 5-[(1-sulfocyclohexyl)oxy]cyclohexane-1,3-dicarboxylic acid
3D chemical structure image of 5-[(1-sulfocyclohexyl)oxy]cyclohexane-1,3-dicarboxylic acid
3-dimensional (3D) chemical structure image of 5-[(1-sulfocyclohexyl)oxy]cyclohexane-1,3-dicarboxylic acid

The 2D chemical structure image of 5-[(1-sulfocyclohexyl)oxy]cyclohexane-1,3-dicarboxylic acid is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 5-[(1-sulfocyclohexyl)oxy]cyclohexane-1,3-dicarboxylic acid 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 5-[(1-sulfocyclohexyl)oxy]cyclohexane-1,3-dicarboxylic acid 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 5-[(1-sulfocyclohexyl)oxy]cyclohexane-1,3-dicarboxylic acid. 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 5-[(1-sulfocyclohexyl)oxy]cyclohexane-1,3-dicarboxylic acid is provided here.

The 5-[(1-sulfocyclohexyl)oxy]cyclohexane-1,3-dicarboxylic acid 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 5-[(1-sulfocyclohexyl)oxy]cyclohexane-1,3-dicarboxylic acid 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 5-[(1-sulfocyclohexyl)oxy]cyclohexane-1,3-dicarboxylic acid 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
  • Smiles: CCO
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Additional Information for Identifying 5-[(1-sulfocyclohexyl)oxy]cyclohexane-1,3-dicarboxylic acid Molecule

  • Other names (synonyms) or registry numbers of 5-[(1-sulfocyclohexyl)oxy]cyclohexane-1,3-dicarboxylic acid

    The 5-[(1-sulfocyclohexyl)oxy]cyclohexane-1,3-dicarboxylic acid compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 5-[(1-sulfocyclohexyl)oxy]cyclohexane-1,3-dicarboxylic acid including the various registry numbers, if available:



    None available.

5-[(1-sulfocyclohexyl)oxy]cyclohexane-1,3-dicarboxylic acid Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 5-[(1-sulfocyclohexyl)oxy]cyclohexane-1,3-dicarboxylic acid?
C14H22O8S
How many atoms and what are the elements included the 5-[(1-sulfocyclohexyl)oxy]cyclohexane-1,3-dicarboxylic acid molecule?
45 atom(s) - 22 Hydrogen atom(s), 14 Carbon atom(s), 8 Oxygen atom(s), and 1 Sulfur atom(s)
How many chemical bonds and what kind of bonds are included the 5-[(1-sulfocyclohexyl)oxy]cyclohexane-1,3-dicarboxylic acid structure?
46 bond(s) - 24 non-H bond(s), 4 multiple bond(s), 5 rotatable bond(s), 4 double bond(s), 2 six-membered ring(s), 2 carboxylic acid(s) (aliphatic), 3 hydroxyl group(s), 1 ether(s) (aliphatic), and 1 sulfonic (thio-/dithio-) acid(s)
What’s the 5-[(1-sulfocyclohexyl)oxy]cyclohexane-1,3-dicarboxylic acid’s molecular weight?
350.38468 g/mol
What’s the SMILES code of 5-[(1-sulfocyclohexyl)oxy]cyclohexane-1,3-dicarboxylic acid?
OC(=O)C1CC(CC(C1)C(O)=O)OC2(CCCCC2)S(O)(=O)=O
What’s the InChI string of 5-[(1-sulfocyclohexyl)oxy]cyclohexane-1,3-dicarboxylic acid?
InChI=1S/C14H22O8S/c15-12(16)9-6-10(13(17)18)8-11(7-9)22-14(23(19,20)21)4-2-1-3-5-14/h9-11H,1-8H2,(H,15,16)(H,17,18)(H,19,20,21)
What’s the InChIKey code of 5-[(1-sulfocyclohexyl)oxy]cyclohexane-1,3-dicarboxylic acid?
VJJVMHZHTCNWAY-UHFFFAOYSA-N