Formula of Butane-1,2,3,4-tetraone,1,4-di(4-methylphenyl) (C18H14O4)
Identification of Butane-1,2,3,4-tetraone,1,4-di(4-methylphenyl) Chemical Compound
| Chemical Formula | C18H14O4 |
|---|---|
| Molecular Weight | 294.30136 g/mol |
| IUPAC Name | 1,4-bis(4-methylphenyl)butane-1,2,3,4-tetrone |
| SMILES String | Cc1ccc(cc1)C(=O)C(=O)C(=O)C(=O)c2ccc(C)cc2 |
| InChI | InChI=1S/C18H14O4/c1-11-3-7-13(8-4-11)15(19)17(21)18(22)16(20)14-9-5-12(2)6-10-14/h3-10H,1-2H3 |
| InChIKey | GMDUFYFHRYTPMN-UHFFFAOYSA-N |
Chemical Formula Description
The Butane-1,2,3,4-tetraone,1,4-di(4-methylphenyl) molecule contains a total of 36 atom(s). There are 14 Hydrogen atom(s), 18 Carbon atom(s), and 4 Oxygen atom(s). A chemical formula of Butane-1,2,3,4-tetraone,1,4-di(4-methylphenyl) can therefore be written as:
C18H14O4
The chemical formula of Butane-1,2,3,4-tetraone,1,4-di(4-methylphenyl) shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.
The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Butane-1,2,3,4-tetraone,1,4-di(4-methylphenyl) Molecule
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Structure Data File (SDF/MOL File) of Butane-1,2,3,4-tetraone,1,4-di(4-methylphenyl)
The structure data file (SDF/MOL File) of Butane-1,2,3,4-tetraone,1,4-di(4-methylphenyl) is available for download in the SDF page of Butane-1,2,3,4-tetraone,1,4-di(4-methylphenyl) providing the information about the atoms, bonds, connectivity and coordinates of Butane-1,2,3,4-tetraone,1,4-di(4-methylphenyl), which is not completely available in the chemical formula representation. The Butane-1,2,3,4-tetraone,1,4-di(4-methylphenyl) structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of Butane-1,2,3,4-tetraone,1,4-di(4-methylphenyl)
The chemical structure image of Butane-1,2,3,4-tetraone,1,4-di(4-methylphenyl) is available in chemical structure page of Butane-1,2,3,4-tetraone,1,4-di(4-methylphenyl), which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of Butane-1,2,3,4-tetraone,1,4-di(4-methylphenyl) and the chemical bonds that hold the atoms together.
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Molecular weight of Butane-1,2,3,4-tetraone,1,4-di(4-methylphenyl)
The molecular weight of Butane-1,2,3,4-tetraone,1,4-di(4-methylphenyl) is available in molecular weight page of Butane-1,2,3,4-tetraone,1,4-di(4-methylphenyl), which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of Butane-1,2,3,4-tetraone,1,4-di(4-methylphenyl).
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InChI (IUPAC International Chemical Identifier) information of Butane-1,2,3,4-tetraone,1,4-di(4-methylphenyl)
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of Butane-1,2,3,4-tetraone,1,4-di(4-methylphenyl) is:
InChI=1S/C18H14O4/c1-11-3-7-13(8-4-11)15(19)17(21)18(22)16(20)14-9-5-12(2)6-10-14/h3-10H,1-2H3
It can provide a standard way to encode the molecular information of Butane-1,2,3,4-tetraone,1,4-di(4-methylphenyl) to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of Butane-1,2,3,4-tetraone,1,4-di(4-methylphenyl) is:
InChIKey=GMDUFYFHRYTPMN-UHFFFAOYSA-N
The InChIKey may allow easier web searches for Butane-1,2,3,4-tetraone,1,4-di(4-methylphenyl), but it needs to be linked to the full InChI to get back to the original structure of the Butane-1,2,3,4-tetraone,1,4-di(4-methylphenyl) since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Butane-1,2,3,4-tetraone,1,4-di(4-methylphenyl)
The Butane-1,2,3,4-tetraone,1,4-di(4-methylphenyl) compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of Butane-1,2,3,4-tetraone,1,4-di(4-methylphenyl) including the registry numbers is given below, if available:
- Butane, 1,2,3,4-Tetraone, 1,4-di(p-methylphenyl)-
- 1,2-Bis(4-methylbenzoyl)-1,2-ethanedione
- Butanetetrone,bis(4-methylphenyl)- (9CI)
- 19909-64-9
- Butane-1,2,3,4-tetraone,1,4-di(4-methylphenyl)
Butane-1,2,3,4-tetraone,1,4-di(4-methylphenyl) Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of Butane-1,2,3,4-tetraone,1,4-di(4-methylphenyl)? |
|---|
| C18H14O4 |
| How many atoms and what are they in the Butane-1,2,3,4-tetraone,1,4-di(4-methylphenyl) structure? |
| 36 atom(s) - 14 Hydrogen atom(s), 18 Carbon atom(s), and 4 Oxygen atom(s) |
| How many chemical bonds and what are they in the Butane-1,2,3,4-tetraone,1,4-di(4-methylphenyl) structure? |
| 37 bond(s) - 23 non-H bond(s), 16 multiple bond(s), 5 rotatable bond(s), 4 double bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 2 ketone(s) (aliphatic), and 2 ketone(s) (aromatic) |
| What’s the molecular weight of Butane-1,2,3,4-tetraone,1,4-di(4-methylphenyl)? |
| 294.30136 g/mol |
| What’s the SMILES string of Butane-1,2,3,4-tetraone,1,4-di(4-methylphenyl)? |
| Cc1ccc(cc1)C(=O)C(=O)C(=O)C(=O)c2ccc(C)cc2 |
| What’s the InChI of Butane-1,2,3,4-tetraone,1,4-di(4-methylphenyl)? |
| InChI=1S/C18H14O4/c1-11-3-7-13(8-4-11)15(19)17(21)18(22)16(20)14-9-5-12(2)6-10-14/h3-10H,1-2H3 |
| What’s the InChIKey of Butane-1,2,3,4-tetraone,1,4-di(4-methylphenyl)? |
| GMDUFYFHRYTPMN-UHFFFAOYSA-N |
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