Molecular Weight of Russig's blue (C22H16O4)
Identification of Russig's blue Chemical Compound
Chemical Formula | C22H16O4 |
---|---|
Molecular Weight | 344.36004 g/mol |
IUPAC Name | 4-methoxy-2-(4-methoxy-1-oxo-1,2-dihydronaphthalen-2-ylidene)-1,2-dihydronaphthalen-1-one |
SMILES String | COC1=CC(C(=O)c2ccccc12)=C4C=C(OC)c3ccccc3C4=O |
InChI | InChI=1S/C22H16O4/c1-25-19-11-17(21(23)15-9-5-3-7-13(15)19)18-12-20(26-2)14-8-4-6-10-16(14)22(18)24/h3-12H,1-2H3/b18-17+ |
InChIKey | YFBWJVYUOPVVRG-ISLYRVAYSA-N |
Molecular Weight Description
The Russig's blue molecule consists of 16 Hydrogen atom(s), 22 Carbon atom(s), and 4 Oxygen atom(s) - a total of 42 atom(s). The molecular weight of Russig's blue is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 344.36004 · \frac{g}{mol} $$
The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol.
Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.
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Additional Information for Identifying Russig's blue Molecule
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Structure Data File (SDF/MOL File) of Russig's blue
The structure data file (SDF/MOL File) of Russig's blue is available for download in the SDF page of Russig's blue, which provides the information on atoms, bonds, connectivity and coordinates of Russig's blue. The Russig's blue structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis.
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Chemical structure of Russig's blue
The molecular structure image of Russig's blue is available in chemical structure page of Russig's blue, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in Russig's blue and the chemical bonds that hold the atoms together.
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Chemical formula of Russig's blue
The molecular formula of Russig's blue is given in chemical formula page of Russig's blue, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of Russig's blue
In addition to the molecular weight information, the structural information of Russig's blue in a textual expression is available via InChi. The full standard InChI of Russig's blue is given below:
InChI=1S/C22H16O4/c1-25-19-11-17(21(23)15-9-5-3-7-13(15)19)18-12-20(26-2)14-8-4-6-10-16(14)22(18)24/h3-12H,1-2H3/b18-17+
It can provide a way to encode the molecular information of Russig's blue 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 Russig's blue is:
InChIKey=YFBWJVYUOPVVRG-ISLYRVAYSA-N
It may allow easier web searches for Russig's blue. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the Russig's blue as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Russig's blue
There may be different names of the Russig's blue compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- 1244-92-4
- 1(2H)-Naphthalenone, 4-methoxy-2-(4-methoxy-1-oxo-2(1H)-naphthalenylidene)-
- [.DELTA.2,2'(1H,1'H)-Binaphthalene]-1,1'-dione, 4,4'-dimethoxy-
- (2E)-4-methoxy-2-(4-methoxy-1-oxonaphthalen-2-ylidene)naphthalen-1-one
- 4,4'-Dimethoxy-1,1'-dioxo-(1,1',2,2')-tetrahydro-2,2'-binaphthylidene
- Russig's blue
Russig's blue Identification Summary Frequently Asked Questions (FAQs)
What’s the formula of Russig's blue? |
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C22H16O4 |
How many atoms and what are the elements in the Russig's blue molecule? |
42 atom(s) - 16 Hydrogen atom(s), 22 Carbon atom(s), and 4 Oxygen atom(s) |
How many chemical bonds and what types of bonds are in the Russig's blue structure? |
45 bond(s) - 29 non-H bond(s), 17 multiple bond(s), 2 rotatable bond(s), 5 double bond(s), 12 aromatic bond(s), 4 six-membered ring(s), 2 ten-membered ring(s), 2 ketone(s) (aromatic), and 2 ether(s) (aliphatic) |
What’s the molar mass of Russig's blue? |
344.36004 g/mol |
What’s the SMILES format of Russig's blue? |
COC1=CC(C(=O)c2ccccc12)=C4C=C(OC)c3ccccc3C4=O |
What’s the InChI format of Russig's blue? |
InChI=1S/C22H16O4/c1-25-19-11-17(21(23)15-9-5-3-7-13(15)19)18-12-20(26-2)14-8-4-6-10-16(14)22(18)24/h3-12H,1-2H3/b18-17+ |
What’s the InChIKey string of Russig's blue? |
YFBWJVYUOPVVRG-ISLYRVAYSA-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).