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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
Chemical Formula C12H10N2O5S
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
Ball-and-stick model of 4-[(E)-2-(2,4-dihydroxyphenyl)diazen-1-yl]benzene-1-sulfonic acid

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  • Name: ethanol
  • CAS #: 64-17-5
  • Formula: C2H5OH
  • Smiles: CCO
  • InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
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Additional Information for Identifying 4-[(E)-2-(2,4-dihydroxyphenyl)diazen-1-yl]benzene-1-sulfonic acid Molecule

  • 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:



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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?
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