Formula of Alizarin (C14H8O4)
Identification of Alizarin Chemical Compound
| Chemical Formula | C14H8O4 |
|---|---|
| Molecular Weight | 240.21092 g/mol |
| IUPAC Name | 1,2-dihydroxy-9,10-dihydroanthracene-9,10-dione |
| SMILES String | Oc3ccc2C(=O)c1ccccc1C(=O)c2c3O |
| InChI | InChI=1S/C14H8O4/c15-10-6-5-9-11(14(10)18)13(17)8-4-2-1-3-7(8)12(9)16/h1-6,15,18H |
| InChIKey | RGCKGOZRHPZPFP-UHFFFAOYSA-N |
Chemical Formula Description
The Alizarin molecule contains a total of 26 atom(s). There are 8 Hydrogen atom(s), 14 Carbon atom(s), and 4 Oxygen atom(s). A chemical formula of Alizarin can therefore be written as:
C14H8O4
The chemical formula of Alizarin 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 Alizarin Molecule
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Structure Data File (SDF/MOL File) of Alizarin
The structure data file (SDF/MOL File) of Alizarin is available for download in the SDF page of Alizarin providing the information about the atoms, bonds, connectivity and coordinates of Alizarin, which is not completely available in the chemical formula representation. The Alizarin structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of Alizarin
The chemical structure image of Alizarin is available in chemical structure page of Alizarin, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of Alizarin and the chemical bonds that hold the atoms together.
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Molecular weight of Alizarin
The molecular weight of Alizarin is available in molecular weight page of Alizarin, 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 Alizarin.
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InChI (IUPAC International Chemical Identifier) information of Alizarin
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of Alizarin is:
InChI=1S/C14H8O4/c15-10-6-5-9-11(14(10)18)13(17)8-4-2-1-3-7(8)12(9)16/h1-6,15,18H
It can provide a standard way to encode the molecular information of Alizarin 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 Alizarin is:
InChIKey=RGCKGOZRHPZPFP-UHFFFAOYSA-N
The InChIKey may allow easier web searches for Alizarin, but it needs to be linked to the full InChI to get back to the original structure of the Alizarin since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Alizarin
The Alizarin compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of Alizarin including the registry numbers is given below, if available:
- 84754-86-9
- 1328-02-5
- 2,9-DIHYDROXY-1,10-DIHYDROANTHRACENE-1,10-DIONE
- I14-16575
- SR-05000002485-1
- C-34292
- AE-641/00185064
- A837539
- EN300-136088
- D0242
- 4CH-011256
- L933
- 1,2-bis(oxidanyl)anthracene-9,10-dione
- SDCCGMLS-0066502.P001
- RTR-023675
- LN: L C666 BV IVJ EQ FQ1
- 1,2-Dihydroxyanthra-9,10-quinone #
- Rubia, alizarin crimson, 72-48-0
- CCG-38668
- BDBM50206434
- ANW-36201
- HMS3651P05
- HMS1923C03
- 60MEW57T9G
- Alizarin, Dye content 97 %
- ARONIS27045
- Mordant red 11, Alizarin e
- 1322-60-7
- SPECTRUM210850
- Epitope ID:116187
- 9, 1,2-dihydroxy-
- ATHRAQUINONES A
- Sanyo Carmine l2BT
- Alizarin, p.a.
- 9,10-Anthracenedione, dihydroxy-
- Turkey ree
- Pincoffin
- Hystazarin
- 140861-55-8
- CAS-72-48-0
- W-104489
- 1,10-Anthracenedione, 2,9-dihydroxy-
- Az
- MFCD00001201
- Alizarin (C.I. 58000)
- CI 58000
- 1,2-Dihydroxy anthraquinone
- DIHYDROXY-9,10-ANTHRACENEDIONE
- 1,2-Dihydroxyanthrachinon [Czech]
- Anthraquinone, 1,2-dihydroxy-
- D and C Orange No. 15
- 1,2-Dihydroxy-anthraquinone
- C.I. 58000C
- alizarin crimson
- Rubia
- rose madder
- crimson madder
- C.I. 58000
- Turkey Red (VAN)
- Alizarine paste 20% bluish
- Alizarine Paste 20 percent Bluish
- 9,10-Anthracenedione, 1,2-dihydroxy-
- Alizarinprimeveroside
- 1,2-Dihydroxyanthrachinon
- Deep Crimson Madder 10821E
- Deep Crimson Madder 10821
- D and C Orange Number 15D
- D And C Orange Number 15
- C.I. Pigment Red 83C
- C.I. Mordant Red 11C
- C.I. Pigment Red 83
- C.I. Mordant Red 11
- 1,2-Dihydroxyanthra-9,10-quinone
- Pigment red 83
- Alizarine Lake Red IPX
- Alizarine Lake Red 3P
- Alizarine Lake Red 2P
- Certiqual Alizarine D
- Mitsui Alizarine BS
- Sanyo Carmine L2B
- 1,2-Dihydroxy-9,10-anthracenedione
- Mitsui Alizarine B
- Alizerine Red IPP
- Alizarine Red IPP
- Alizarine Red B2
- Certiqual Alizarine
- Alizarine indicator
- Alizarine Red IP
- 1,2-Dihydroxy-9,10-anthraquinone
- Turkey Red W
- Alizarine L paste
- Eljon Madder M
- Alizarine 3B
- Alizarine Red L
- Alizarine Red B
- Alizerine NAC
- Alizarine NAC
- Eljon Madder
- Alizarine B
- Alizarine Red
- Alizarina
- ALIZARINE
- 1,2-Anthraquinonediol
- Turkey Red
- Alizarin B
- 1,2-Dihydroxyanthraquinone
- Mordant Red 11
- 1,2-dihydroxyanthracene-9,10-dione
- Alizarin Red
- 72-48-0
- Alizarin
Alizarin Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of Alizarin? |
|---|
| C14H8O4 |
| How many atoms and what are they in the Alizarin structure? |
| 26 atom(s) - 8 Hydrogen atom(s), 14 Carbon atom(s), and 4 Oxygen atom(s) |
| How many chemical bonds and what are they in the Alizarin structure? |
| 28 bond(s) - 20 non-H bond(s), 14 multiple bond(s), 2 double bond(s), 12 aromatic bond(s), 3 six-membered ring(s), 2 ten-membered ring(s), 2 ketone(s) (aromatic), and 2 aromatic hydroxyl(s) |
| What’s the molecular weight of Alizarin? |
| 240.21092 g/mol |
| What’s the SMILES string of Alizarin? |
| Oc3ccc2C(=O)c1ccccc1C(=O)c2c3O |
| What’s the InChI of Alizarin? |
| InChI=1S/C14H8O4/c15-10-6-5-9-11(14(10)18)13(17)8-4-2-1-3-7(8)12(9)16/h1-6,15,18H |
| What’s the InChIKey of Alizarin? |
| RGCKGOZRHPZPFP-UHFFFAOYSA-N |
2165
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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).