Structure & Deep Data of Clidanac (C16H19ClO2)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Clidanac molecule contains a total of 40 bond(s). There are 21 non-H bond(s), 7 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 1 nine-membered ring(s), 1 carboxylic acid(s) (aliphatic), and 1 hydroxyl group(s). Images of the chemical structure of Clidanac are given below:

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

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Additional Information for Identifying Clidanac Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Clidanac

  The SMILES string of Clidanac is OC(=O)C2CCc3cc(C1CCCCC1)c(Cl)cc23, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Clidanac.

• Structure Data File (SDF/MOL File) of Clidanac

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

• Chemical formula of Clidanac

  The molecular formula of Clidanac is available in chemical formula page of Clidanac, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of Clidanac

  The molecular weight of Clidanac is available in molecular weight page of Clidanac, 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 Clidanac

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

  • 1H-Indene-1-carboxylic acid, 6-chloro-5-cyclohexyl-2,3-dihydro-, (+-)-
  • 1H-Indene-1-carboxylic acid, 6-chloro-5-cyclohexyl-2,3-dihydro- (9CI)
  • 1H-Indene-1-carboxylicacid, 6-chloro-5-cyclohexyl-2,3-dihydro-
  • 1-Indancarboxylic acid, 6-chloro-5-cyclohexyl-, (+-)-
  • D01330
  • 6-chloro-5-cyclohexyl-1-indanecarboxylic acid
  • 1H-Indene-1-carboxylic acid, 6-chloro-5-cyclohexyl-2,3-dihydro-, (+-)- (9CI)
  • 1H-Indene-1-carboxylic acid, 6-chloro-5-cyclohexyl-2,3-dihydro-
  • Clidanac (JAN/INN)
  • Clidanaco

  • Clidanacum
  • C16H19ClO2
  • 6-chloro-5-cyclohexyl-indane-1-carboxylic acid
  • 1-Indancarboxylic acid, 6-chloro-5-cyclohexyl-
  • TAI-284
  • (+-)-TAI 284
  • 28968-07-2
  • 6-Chloro-5-cyclohexyl-1-indancarboxylic acid
  • dl-TAI 284
  • Clidanaco [INN-Spanish]

  • TAI 284
  • Clidanacum [INN-Latin]
  • Clidanac [INN:JAN]
  • 34148-01-1
  • (+-)-Clidanac
  • dl-Clidanac
  • Indanal
  • Britai
  • Clidanac

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Clidanac Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Clidanac?
C16H19ClO2
How many atoms and what are the elements included the Clidanac molecule?
38 atom(s) - 19 Hydrogen atom(s), 16 Carbon atom(s), 2 Oxygen atom(s), and 1 Chlorine atom(s)
How many chemical bonds and what kind of bonds are included the Clidanac structure?
40 bond(s) - 21 non-H bond(s), 7 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 1 nine-membered ring(s), 1 carboxylic acid(s) (aliphatic), and 1 hydroxyl group(s)
What’s the Clidanac’s molecular weight?
278.77386 g/mol
What’s the SMILES code of Clidanac?
OC(=O)C2CCc3cc(C1CCCCC1)c(Cl)cc23
What’s the InChI string of Clidanac?
InChI=1S/C16H19ClO2/c17-15-9-13-11(6-7-12(13)16(18)19)8-14(15)10-4-2-1-3-5-10/h8-10,12H,1-7H2,(H,18,19)
What’s the InChIKey code of Clidanac?
OIRAEJWYWSAQNG-UHFFFAOYSA-N

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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).