Structure of Phosphoric acid, dodecyl diphenyl ester (C24H35O4P)
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| Chemical Formula | C24H35O4P |
|---|---|
| Molecular Weight | 418.50606 g/mol |
| IUPAC Name | dodecyl diphenyl phosphate |
| SMILES String | CCCCCCCCCCCCOP(=O)(Oc1ccccc1)Oc2ccccc2 |
| InChI | InChI=1S/C24H35O4P/c1-2-3-4-5-6-7-8-9-10-17-22-26-29(25,27-23-18-13-11-14-19-23)28-24-20-15-12-16-21-24/h11-16,18-21H,2-10,17,22H2,1H3 |
| InChIKey | DLZXXNAEQGRWPX-UHFFFAOYSA-N |
| Citation | CC-DPS (Chemical Compounds Deep Profiling Services; https://www.cc-dps.com) powered by 41 patented QSQN technology based on Quantum Chemistry, Statistical Thermodynamics, Quantitative Structure-Property Relationship (QSPR), and Neural Network. |
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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 Phosphoric acid, dodecyl diphenyl ester molecule contains a total of 65 bond(s). There are 30 non-H bond(s), 13 multiple bond(s), 16 rotatable bond(s), 1 double bond(s), 12 aromatic bond(s), 2 six-membered ring(s), and 1 phosphate(s)/thiophosphate(s). Images of the chemical structure of Phosphoric acid, dodecyl diphenyl ester are given below:
The 2D chemical structure image of Phosphoric acid, dodecyl diphenyl ester is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Phosphoric acid, dodecyl diphenyl 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 Phosphoric acid, dodecyl diphenyl 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 Phosphoric acid, dodecyl diphenyl 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 Phosphoric acid, dodecyl diphenyl ester is provided here.
The Phosphoric acid, dodecyl diphenyl 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 Phosphoric acid, dodecyl diphenyl 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 Phosphoric acid, dodecyl diphenyl 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 Phosphoric acid, dodecyl diphenyl ester Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of Phosphoric acid, dodecyl diphenyl ester
The SMILES string of Phosphoric acid, dodecyl diphenyl ester is CCCCCCCCCCCCOP(=O)(Oc1ccccc1)Oc2ccccc2, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Phosphoric acid, dodecyl diphenyl ester.
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Structure Data File (SDF/MOL File) of Phosphoric acid, dodecyl diphenyl ester
The structure data file (SDF/MOL File) of Phosphoric acid, dodecyl diphenyl ester is available for download in the SDF page of Phosphoric acid, dodecyl diphenyl ester, which provides the information about the atoms, bonds, connectivity and coordinates of Phosphoric acid, dodecyl diphenyl ester. The Phosphoric acid, dodecyl diphenyl ester structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of Phosphoric acid, dodecyl diphenyl ester
The molecular formula of Phosphoric acid, dodecyl diphenyl ester is available in chemical formula page of Phosphoric acid, dodecyl diphenyl 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 Phosphoric acid, dodecyl diphenyl ester
The molecular weight of Phosphoric acid, dodecyl diphenyl ester is available in molecular weight page of Phosphoric acid, dodecyl diphenyl 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 Phosphoric acid, dodecyl diphenyl ester
The Phosphoric acid, dodecyl diphenyl 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 Phosphoric acid, dodecyl diphenyl ester including the various registry numbers, if available:
- AR-1I6957
- I06-1641
- Phosphoric Acid Dodecyl Ester-Diphenyl Ester
- O446
- Phosphoric acid,dodecyl diphenyl ester
- Phosphoric acid diphenyldodecyl ester
- Phosphoricacid,dodecyldiphenylester
- Alkyldiphenylphosphate
- C24H35O4P
- Alkyl diphenyl phosphate
- Phosphoric acid, dodecyl diphenyl ester
- 27460-02-2
Phosphoric acid, dodecyl diphenyl ester Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of Phosphoric acid, dodecyl diphenyl ester? |
|---|
| C24H35O4P |
| How many atoms and what are the elements included the Phosphoric acid, dodecyl diphenyl ester molecule? |
| 64 atom(s) - 35 Hydrogen atom(s), 24 Carbon atom(s), 4 Oxygen atom(s), and 1 Phosphorous atom(s) |
| How many chemical bonds and what kind of bonds are included the Phosphoric acid, dodecyl diphenyl ester structure? |
| 65 bond(s) - 30 non-H bond(s), 13 multiple bond(s), 16 rotatable bond(s), 1 double bond(s), 12 aromatic bond(s), 2 six-membered ring(s), and 1 phosphate(s)/thiophosphate(s) |
| What’s the Phosphoric acid, dodecyl diphenyl ester’s molecular weight? |
| 418.50606 g/mol |
| What’s the SMILES code of Phosphoric acid, dodecyl diphenyl ester? |
| CCCCCCCCCCCCOP(=O)(Oc1ccccc1)Oc2ccccc2 |
| What’s the InChI string of Phosphoric acid, dodecyl diphenyl ester? |
| InChI=1S/C24H35O4P/c1-2-3-4-5-6-7-8-9-10-17-22-26-29(25,27-23-18-13-11-14-19-23)28-24-20-15-12-16-21-24/h11-16,18-21H,2-10,17,22H2,1H3 |
| What’s the InChIKey code of Phosphoric acid, dodecyl diphenyl ester? |
| DLZXXNAEQGRWPX-UHFFFAOYSA-N |