Structure & Deep Data of 4-(4-Ethoxyphenoxycarbonyl)phenyl Ethyl Carbonate (C18H18O6)
Identification of 4-(4-Ethoxyphenoxycarbonyl)phenyl Ethyl Carbonate Chemical Compound
Chemical Formula | C18H18O6 |
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Molecular Weight | 330.33192 g/mol |
IUPAC Name | 4-ethoxyphenyl 4-[(ethoxycarbonyl)oxy]benzoate |
SMILES String | CCOC(=O)Oc1ccc(cc1)C(=O)Oc2ccc(OCC)cc2 |
InChI | InChI=1S/C18H18O6/c1-3-21-14-9-11-15(12-10-14)23-17(19)13-5-7-16(8-6-13)24-18(20)22-4-2/h5-12H,3-4H2,1-2H3 |
InChIKey | NRRSSIQKLMBWJB-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 4-(4-Ethoxyphenoxycarbonyl)phenyl Ethyl Carbonate molecule contains a total of 43 bond(s). There are 25 non-H bond(s), 14 multiple bond(s), 9 rotatable bond(s), 2 double bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 1 ester(s) (aromatic), 1 carbonate (-thio) derivative(s), and 1 ether(s) (aromatic). Images of the chemical structure of 4-(4-Ethoxyphenoxycarbonyl)phenyl Ethyl Carbonate are given below:
The 2D chemical structure image of 4-(4-Ethoxyphenoxycarbonyl)phenyl Ethyl Carbonate is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 4-(4-Ethoxyphenoxycarbonyl)phenyl Ethyl Carbonate 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 4-(4-Ethoxyphenoxycarbonyl)phenyl Ethyl Carbonate 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 4-(4-Ethoxyphenoxycarbonyl)phenyl Ethyl Carbonate. 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 4-(4-Ethoxyphenoxycarbonyl)phenyl Ethyl Carbonate is provided here.
The 4-(4-Ethoxyphenoxycarbonyl)phenyl Ethyl Carbonate 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 4-(4-Ethoxyphenoxycarbonyl)phenyl Ethyl Carbonate 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 4-(4-Ethoxyphenoxycarbonyl)phenyl Ethyl Carbonate 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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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying 4-(4-Ethoxyphenoxycarbonyl)phenyl Ethyl Carbonate Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of 4-(4-Ethoxyphenoxycarbonyl)phenyl Ethyl Carbonate
The SMILES string of 4-(4-Ethoxyphenoxycarbonyl)phenyl Ethyl Carbonate is CCOC(=O)Oc1ccc(cc1)C(=O)Oc2ccc(OCC)cc2, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 4-(4-Ethoxyphenoxycarbonyl)phenyl Ethyl Carbonate.
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Structure Data File (SDF/MOL File) of 4-(4-Ethoxyphenoxycarbonyl)phenyl Ethyl Carbonate
The structure data file (SDF/MOL File) of 4-(4-Ethoxyphenoxycarbonyl)phenyl Ethyl Carbonate is available for download in the SDF page of 4-(4-Ethoxyphenoxycarbonyl)phenyl Ethyl Carbonate, which provides the information about the atoms, bonds, connectivity and coordinates of 4-(4-Ethoxyphenoxycarbonyl)phenyl Ethyl Carbonate. The 4-(4-Ethoxyphenoxycarbonyl)phenyl Ethyl Carbonate structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of 4-(4-Ethoxyphenoxycarbonyl)phenyl Ethyl Carbonate
The molecular formula of 4-(4-Ethoxyphenoxycarbonyl)phenyl Ethyl Carbonate is available in chemical formula page of 4-(4-Ethoxyphenoxycarbonyl)phenyl Ethyl Carbonate, 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 4-(4-Ethoxyphenoxycarbonyl)phenyl Ethyl Carbonate
The molecular weight of 4-(4-Ethoxyphenoxycarbonyl)phenyl Ethyl Carbonate is available in molecular weight page of 4-(4-Ethoxyphenoxycarbonyl)phenyl Ethyl Carbonate, 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 4-(4-Ethoxyphenoxycarbonyl)phenyl Ethyl Carbonate
The 4-(4-Ethoxyphenoxycarbonyl)phenyl Ethyl Carbonate compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 4-(4-Ethoxyphenoxycarbonyl)phenyl Ethyl Carbonate including the various registry numbers, if available:
- I14-92473
- Ethyl 4-(4-ethoxyphenoxycarbonyl)phenyl=carbonate
- Ethyl 4-(4-Ethoxyphenoxycarbonyl)phenyl Carbonate
- C-46567
- E0257
- MFCD00059379
- ANW-27737
- ETHYL4- PHENYLCARBONATE
- 4-Ethoxyphenyl 4-((ethoxycarbonyl)oxy)benzoate
- Ethyl 4-(4'-ethoxyphenoxycarbonyl)phenyl carbonate
- 4-(4-Ethoxyphenoxycarbonyl)phenyl Ethyl Carbonate
- 33926-25-9
4-(4-Ethoxyphenoxycarbonyl)phenyl Ethyl Carbonate Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of 4-(4-Ethoxyphenoxycarbonyl)phenyl Ethyl Carbonate? |
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C18H18O6 |
How many atoms and what are the elements included the 4-(4-Ethoxyphenoxycarbonyl)phenyl Ethyl Carbonate molecule? |
42 atom(s) - 18 Hydrogen atom(s), 18 Carbon atom(s), and 6 Oxygen atom(s) |
How many chemical bonds and what kind of bonds are included the 4-(4-Ethoxyphenoxycarbonyl)phenyl Ethyl Carbonate structure? |
43 bond(s) - 25 non-H bond(s), 14 multiple bond(s), 9 rotatable bond(s), 2 double bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 1 ester(s) (aromatic), 1 carbonate (-thio) derivative(s), and 1 ether(s) (aromatic) |
What’s the 4-(4-Ethoxyphenoxycarbonyl)phenyl Ethyl Carbonate’s molecular weight? |
330.33192 g/mol |
What’s the SMILES code of 4-(4-Ethoxyphenoxycarbonyl)phenyl Ethyl Carbonate? |
CCOC(=O)Oc1ccc(cc1)C(=O)Oc2ccc(OCC)cc2 |
What’s the InChI string of 4-(4-Ethoxyphenoxycarbonyl)phenyl Ethyl Carbonate? |
InChI=1S/C18H18O6/c1-3-21-14-9-11-15(12-10-14)23-17(19)13-5-7-16(8-6-13)24-18(20)22-4-2/h5-12H,3-4H2,1-2H3 |
What’s the InChIKey code of 4-(4-Ethoxyphenoxycarbonyl)phenyl Ethyl Carbonate? |
NRRSSIQKLMBWJB-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).