Structure & Deep Data of 4-Aminoazobenzene-3,4'-disulfonic acid (C12H11N3O6S2)
Identification of 4-Aminoazobenzene-3,4'-disulfonic acid Chemical Compound
Chemical Formula | C12H11N3O6S2 |
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Molecular Weight | 357.36224 g/mol |
IUPAC Name | 2-amino-5-[(E)-2-(4-sulfophenyl)diazen-1-yl]benzene-1-sulfonic acid |
SMILES String | Nc2ccc(N=Nc1ccc(cc1)S(O)(=O)=O)cc2S(O)(=O)=O |
InChI | InChI=1S/C12H11N3O6S2/c13-11-6-3-9(7-12(11)23(19,20)21)15-14-8-1-4-10(5-2-8)22(16,17)18/h1-7H,13H2,(H,16,17,18)(H,19,20,21)/b15-14+ |
InChIKey | DCYBHNIOTZBCFS-CCEZHUSRSA-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-Aminoazobenzene-3,4'-disulfonic acid molecule contains a total of 35 bond(s). There are 24 non-H bond(s), 17 multiple bond(s), 4 rotatable bond(s), 5 double bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 1 primary amine(s) (aromatic), 1 N azo-derivative(s), 2 hydroxyl group(s), and 2 sulfonic (thio-/dithio-) acid(s). Images of the chemical structure of 4-Aminoazobenzene-3,4'-disulfonic acid are given below:
The 2D chemical structure image of 4-Aminoazobenzene-3,4'-disulfonic acid is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 4-Aminoazobenzene-3,4'-disulfonic acid 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-Aminoazobenzene-3,4'-disulfonic acid 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-Aminoazobenzene-3,4'-disulfonic acid. Download structure data file (SDF/MOL) file of this compound.
chemical table area
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of 4-Aminoazobenzene-3,4'-disulfonic acid is provided here.
The 4-Aminoazobenzene-3,4'-disulfonic acid 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-Aminoazobenzene-3,4'-disulfonic acid 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-Aminoazobenzene-3,4'-disulfonic acid 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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Additional Information for Identifying 4-Aminoazobenzene-3,4'-disulfonic acid Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of 4-Aminoazobenzene-3,4'-disulfonic acid
The SMILES string of 4-Aminoazobenzene-3,4'-disulfonic acid is Nc2ccc(N=Nc1ccc(cc1)S(O)(=O)=O)cc2S(O)(=O)=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 4-Aminoazobenzene-3,4'-disulfonic acid.
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Structure Data File (SDF/MOL File) of 4-Aminoazobenzene-3,4'-disulfonic acid
The structure data file (SDF/MOL File) of 4-Aminoazobenzene-3,4'-disulfonic acid is available for download in the SDF page of 4-Aminoazobenzene-3,4'-disulfonic acid, which provides the information about the atoms, bonds, connectivity and coordinates of 4-Aminoazobenzene-3,4'-disulfonic acid. The 4-Aminoazobenzene-3,4'-disulfonic acid structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of 4-Aminoazobenzene-3,4'-disulfonic acid
The molecular formula of 4-Aminoazobenzene-3,4'-disulfonic acid is available in chemical formula page of 4-Aminoazobenzene-3,4'-disulfonic acid, 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-Aminoazobenzene-3,4'-disulfonic acid
The molecular weight of 4-Aminoazobenzene-3,4'-disulfonic acid is available in molecular weight page of 4-Aminoazobenzene-3,4'-disulfonic acid, 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-Aminoazobenzene-3,4'-disulfonic acid
The 4-Aminoazobenzene-3,4'-disulfonic acid 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-Aminoazobenzene-3,4'-disulfonic acid including the various registry numbers, if available:
- 2-AMINO-5-[2-(4-SULFOPHENYL)DIAZEN-1-YL]BENZENESULFONIC ACID
- 4-amino-azobenzene-4 inverted exclamation mark -disulfonicacid
- 2-amino-5-[(E)-(4-sulfophenyl)diazenyl]benzenesulfonic acid
- 4-aminoazobenzene-3,4 inverted exclamation mark -disulfonic
- 4-amino-3,4 inverted exclamation mark -disulfoazobenzene
- 2-amino-5-[(4-sulfophenyl)diazenyl]benzenesulfonic acid
- I14-10077
- W-108913
- p-Aminoazobenzene-3,4'-Disulfonic Acid Sodium Salt
- C-25258
- 4-(4-amino-3-sulfophenylazo)-benzenesulfonicaci
- para amino azobenzene 3,4 disulfonic acid
- p-Amino Azobenzene 3,4 Disulfonic Acid
- p-aminoazobenzene-3,4'-disulfonic acid
- Jsp000223
- Benzenesulfonic acid,4'-azodi-
- PAAB 3,4 DSA
- Azobenzene-3, 4-amino-
- Benzenesulfonic acid, 2-amino-5-[2-(4-sulfophenyl)diazenyl]-
- Benzenesulfonic acid, 4-[(4-amino-3-sulfophenyl)azo]-
- 2-amino-5-[(4-sulfophenyl)azo]-benzenesulfonicaci
- 2-amino-5-((4-sulfophenyl)azo)-benzenesulfonicaci
- Benzenesulfonic acid, 2-amino-5-(2-(4-sulfophenyl)diazenyl)-
- 2-AMINO-5-[(4-SULFOPHENYL)AZO]-BENZENESULFONIC ACID
- Benzenesulfonic acid, 4-(4-amino-3-sulfophenylazo)-
- 4-[(4-Amino-3-sulfophenyl)azo]benzenesulfonic acid
- Benzenesulfonic acid, 4-((4-amino-3-sulfophenyl)azo)-
- Benzenesulfonic acid, 2-amino-5-((4-sulfophenyl)azo)-
- Kyselina 4-aminoazobenzen-3,4'-disulfonova [Czech]
- Kyselina 4-aminoazobenzen-3,4'-disulfonova
- Benzenesulfonic acid, 6-amino-3,4'-azodi-
- Azobenzene-3,4'-disulfonic acid, 4-amino-
- Benzenesulfonic acid, 2-amino-5-[(4-sulfophenyl)azo]-
- 4-Aminoazobenzene-3,4'-disulphonic acid
- 4-(4-Amino-3-sulfophenylazo)benzenesulfonic acid
- 4-Amino-3,4'-disulfoazobenzene
- 101-50-8
- 4-Aminoazobenzene-3,4'-disulfonic acid
4-Aminoazobenzene-3,4'-disulfonic acid Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of 4-Aminoazobenzene-3,4'-disulfonic acid? |
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C12H11N3O6S2 |
How many atoms and what are the elements included the 4-Aminoazobenzene-3,4'-disulfonic acid molecule? |
34 atom(s) - 11 Hydrogen atom(s), 12 Carbon atom(s), 3 Nitrogen atom(s), 6 Oxygen atom(s), and 2 Sulfur atom(s) |
How many chemical bonds and what kind of bonds are included the 4-Aminoazobenzene-3,4'-disulfonic acid structure? |
35 bond(s) - 24 non-H bond(s), 17 multiple bond(s), 4 rotatable bond(s), 5 double bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 1 primary amine(s) (aromatic), 1 N azo-derivative(s), 2 hydroxyl group(s), and 2 sulfonic (thio-/dithio-) acid(s) |
What’s the 4-Aminoazobenzene-3,4'-disulfonic acid’s molecular weight? |
357.36224 g/mol |
What’s the SMILES code of 4-Aminoazobenzene-3,4'-disulfonic acid? |
Nc2ccc(N=Nc1ccc(cc1)S(O)(=O)=O)cc2S(O)(=O)=O |
What’s the InChI string of 4-Aminoazobenzene-3,4'-disulfonic acid? |
InChI=1S/C12H11N3O6S2/c13-11-6-3-9(7-12(11)23(19,20)21)15-14-8-1-4-10(5-2-8)22(16,17)18/h1-7H,13H2,(H,16,17,18)(H,19,20,21)/b15-14+ |
What’s the InChIKey code of 4-Aminoazobenzene-3,4'-disulfonic acid? |
DCYBHNIOTZBCFS-CCEZHUSRSA-N |
798
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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).