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SDF/Mol File of 4-[(E)-2-(2,4-dihydroxyphenyl)diazen-1-yl]benzene-1-sulfonic acid (C12H10N2O5S)
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![2D chemical structure image of 4-[(E)-2-(2,4-dihydroxyphenyl)diazen-1-yl]benzene-1-sulfonic acid](http://static.molinstincts.com/compound_common/4-E-2-2-4-dihydroxyphenyl-diazen-1-yl-benzene-1-sulfonic-acid-2D-structure-CT1002450149.png)
Chemical Formula | C12H10N2O5S |
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Molecular Weight | 294.2832 g/mol |
IUPAC Name | 4-[(E)-2-(2,4-dihydroxyphenyl)diazen-1-yl]benzene-1-sulfonic acid |
SMILES String | Oc2ccc(N=Nc1ccc(cc1)S(O)(=O)=O)c(O)c2 |
InChI | InChI=1S/C12H10N2O5S/c15-9-3-6-11(12(16)7-9)14-13-8-1-4-10(5-2-8)20(17,18)19/h1-7,15-16H,(H,17,18,19)/b14-13+ |
InChIKey | MHKGJUOEEHNBLE-BUHFOSPRSA-N |
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Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of 4-[(E)-2-(2,4-dihydroxyphenyl)diazen-1-yl]benzene-1-sulfonic acid is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of 4-[(E)-2-(2,4-dihydroxyphenyl)diazen-1-yl]benzene-1-sulfonic acid molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
![3D chemical structure image of 4-[(E)-2-(2,4-dihydroxyphenyl)diazen-1-yl]benzene-1-sulfonic acid](http://static.molinstincts.com/compound_3d/4-E-2-2-4-dihydroxyphenyl-diazen-1-yl-benzene-1-sulfonic-acid-3D-structure-CT1002450149.png)
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- CAS #: 64-17-5
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Additional Information for Identifying 4-[(E)-2-(2,4-dihydroxyphenyl)diazen-1-yl]benzene-1-sulfonic acid Molecule
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Chemical structure of 4-[(E)-2-(2,4-dihydroxyphenyl)diazen-1-yl]benzene-1-sulfonic acid
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 4-[(E)-2-(2,4-dihydroxyphenyl)diazen-1-yl]benzene-1-sulfonic acid is available in chemical structure page of 4-[(E)-2-(2,4-dihydroxyphenyl)diazen-1-yl]benzene-1-sulfonic acid, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
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Molecular weight of 4-[(E)-2-(2,4-dihydroxyphenyl)diazen-1-yl]benzene-1-sulfonic acid
The molecular weight of 4-[(E)-2-(2,4-dihydroxyphenyl)diazen-1-yl]benzene-1-sulfonic acid is available in molecular weight page of 4-[(E)-2-(2,4-dihydroxyphenyl)diazen-1-yl]benzene-1-sulfonic acid, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of 4-[(E)-2-(2,4-dihydroxyphenyl)diazen-1-yl]benzene-1-sulfonic acid
The chemical formula of 4-[(E)-2-(2,4-dihydroxyphenyl)diazen-1-yl]benzene-1-sulfonic acid is given in chemical formula page of 4-[(E)-2-(2,4-dihydroxyphenyl)diazen-1-yl]benzene-1-sulfonic acid, 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 4-[(E)-2-(2,4-dihydroxyphenyl)diazen-1-yl]benzene-1-sulfonic acid
An alternative way of expressing structural information in text format is InChI. The full standard InChI of 4-[(E)-2-(2,4-dihydroxyphenyl)diazen-1-yl]benzene-1-sulfonic acid is:
InChI=1S/C12H10N2O5S/c15-9-3-6-11(12(16)7-9)14-13-8-1-4-10(5-2-8)20(17,18)19/h1-7,15-16H,(H,17,18,19)/b14-13+
It can provide a standard way to encode the molecular information of 4-[(E)-2-(2,4-dihydroxyphenyl)diazen-1-yl]benzene-1-sulfonic acid 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 4-[(E)-2-(2,4-dihydroxyphenyl)diazen-1-yl]benzene-1-sulfonic acid is:
InChIKey=MHKGJUOEEHNBLE-BUHFOSPRSA-N
The InChIKey may allow easier web searches for 4-[(E)-2-(2,4-dihydroxyphenyl)diazen-1-yl]benzene-1-sulfonic acid, but it needs to be linked to the full InChI to get back to the original structure of the 4-[(E)-2-(2,4-dihydroxyphenyl)diazen-1-yl]benzene-1-sulfonic acid since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of 4-[(E)-2-(2,4-dihydroxyphenyl)diazen-1-yl]benzene-1-sulfonic acid
The 4-[(E)-2-(2,4-dihydroxyphenyl)diazen-1-yl]benzene-1-sulfonic acid compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 4-[(E)-2-(2,4-dihydroxyphenyl)diazen-1-yl]benzene-1-sulfonic acid including the registry numbers are listed below, if available:
None available.
4-[(E)-2-(2,4-dihydroxyphenyl)diazen-1-yl]benzene-1-sulfonic acid Identification Summary Frequently Asked Questions (FAQs)
What’s the 4-[(E)-2-(2,4-dihydroxyphenyl)diazen-1-yl]benzene-1-sulfonic acid formula? |
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C12H10N2O5S |
How many atoms and what elements are included in the 4-[(E)-2-(2,4-dihydroxyphenyl)diazen-1-yl]benzene-1-sulfonic acid molecule? |
30 atom(s) - 10 Hydrogen atom(s), 12 Carbon atom(s), 2 Nitrogen atom(s), 5 Oxygen atom(s), and 1 Sulfur atom(s) |
How many chemical bonds and what kind of bonds are in the 4-[(E)-2-(2,4-dihydroxyphenyl)diazen-1-yl]benzene-1-sulfonic acid structure? |
31 bond(s) - 21 non-H bond(s), 15 multiple bond(s), 3 rotatable bond(s), 3 double bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 1 N azo-derivative(s), 1 hydroxyl group(s), 2 aromatic hydroxyl(s), and 1 sulfonic (thio-/dithio-) acid(s) |
What’s the 4-[(E)-2-(2,4-dihydroxyphenyl)diazen-1-yl]benzene-1-sulfonic acid’s molar mass? |
294.2832 g/mol |
What’s the SMILES structure of 4-[(E)-2-(2,4-dihydroxyphenyl)diazen-1-yl]benzene-1-sulfonic acid? |
Oc2ccc(N=Nc1ccc(cc1)S(O)(=O)=O)c(O)c2 |
What’s the InChI code of 4-[(E)-2-(2,4-dihydroxyphenyl)diazen-1-yl]benzene-1-sulfonic acid? |
InChI=1S/C12H10N2O5S/c15-9-3-6-11(12(16)7-9)14-13-8-1-4-10(5-2-8)20(17,18)19/h1-7,15-16H,(H,17,18,19)/b14-13+ |
What’s the InChIKey format of 4-[(E)-2-(2,4-dihydroxyphenyl)diazen-1-yl]benzene-1-sulfonic acid? |
MHKGJUOEEHNBLE-BUHFOSPRSA-N |