Structure & Deep Data of 1h,1h-perfluorooctyl p-toluenesulfonate (C15H9F15O3S)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 1h,1h-perfluorooctyl p-toluenesulfonate molecule contains a total of 43 bond(s). There are 34 non-H bond(s), 8 multiple bond(s), 9 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), and 1 sulfonate(s) (thio-/dithio-). Images of the chemical structure of 1h,1h-perfluorooctyl p-toluenesulfonate are given below:

The 2D chemical structure image of 1h,1h-perfluorooctyl p-toluenesulfonate is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 1h,1h-perfluorooctyl p-toluenesulfonate 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 1h,1h-perfluorooctyl p-toluenesulfonate 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 1h,1h-perfluorooctyl p-toluenesulfonate. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying 1h,1h-perfluorooctyl p-toluenesulfonate Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of 1h,1h-perfluorooctyl p-toluenesulfonate

  The SMILES string of 1h,1h-perfluorooctyl p-toluenesulfonate is Cc1ccc(cc1)S(=O)(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 1h,1h-perfluorooctyl p-toluenesulfonate.

• Structure Data File (SDF/MOL File) of 1h,1h-perfluorooctyl p-toluenesulfonate

  The structure data file (SDF/MOL File) of 1h,1h-perfluorooctyl p-toluenesulfonate is available for download in the SDF page of 1h,1h-perfluorooctyl p-toluenesulfonate, which provides the information about the atoms, bonds, connectivity and coordinates of 1h,1h-perfluorooctyl p-toluenesulfonate. The 1h,1h-perfluorooctyl p-toluenesulfonate structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of 1h,1h-perfluorooctyl p-toluenesulfonate

  The molecular formula of 1h,1h-perfluorooctyl p-toluenesulfonate is available in chemical formula page of 1h,1h-perfluorooctyl p-toluenesulfonate, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of 1h,1h-perfluorooctyl p-toluenesulfonate

  The molecular weight of 1h,1h-perfluorooctyl p-toluenesulfonate is available in molecular weight page of 1h,1h-perfluorooctyl p-toluenesulfonate, 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.

• Other names (synonyms) or registry numbers of 1h,1h-perfluorooctyl p-toluenesulfonate

  The 1h,1h-perfluorooctyl p-toluenesulfonate compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 1h,1h-perfluorooctyl p-toluenesulfonate including the various registry numbers, if available:

  • 1H,1H-PERFLUOROOCTYLP-TOLUENESULFONATE
  • MFCD04038349
  • 8357AD
  • 1H,1H-Pentadecafluorooctyl tosylate
  • ZX-AP006511
  • C15H9F15O3S
  • 1H,1H-Perfluorooctyl 4-toluenesulphonate
  • 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl 4-methylbenzenesulfonate
  • 1h,1h-perfluorooctyl p-toluenesulfonate
  • 24962-65-0

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1h,1h-perfluorooctyl p-toluenesulfonate Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 1h,1h-perfluorooctyl p-toluenesulfonate?
C15H9F15O3S
How many atoms and what are the elements included the 1h,1h-perfluorooctyl p-toluenesulfonate molecule?
43 atom(s) - 9 Hydrogen atom(s), 15 Carbon atom(s), 3 Oxygen atom(s), 1 Sulfur atom(s), and 15 Fluorine atom(s)
How many chemical bonds and what kind of bonds are included the 1h,1h-perfluorooctyl p-toluenesulfonate structure?
43 bond(s) - 34 non-H bond(s), 8 multiple bond(s), 9 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), and 1 sulfonate(s) (thio-/dithio-)
What’s the 1h,1h-perfluorooctyl p-toluenesulfonate’s molecular weight?
554.27121 g/mol
What’s the SMILES code of 1h,1h-perfluorooctyl p-toluenesulfonate?
Cc1ccc(cc1)S(=O)(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
What’s the InChI string of 1h,1h-perfluorooctyl p-toluenesulfonate?
InChI=1S/C15H9F15O3S/c1-7-2-4-8(5-3-7)34(31,32)33-6-9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)30/h2-5H,6H2,1H3
What’s the InChIKey code of 1h,1h-perfluorooctyl p-toluenesulfonate?
OTZYGTLBGUNRBX-UHFFFAOYSA-N

42 The contents of this page can freely be shared if cited as follows:
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).