Structure & Deep Data of Tretinoin (Aberela) (C20H28O2)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Tretinoin (Aberela) molecule contains a total of 50 bond(s). There are 22 non-H bond(s), 6 multiple bond(s), 5 rotatable bond(s), 6 double bond(s), 1 six-membered ring(s), 1 carboxylic acid(s) (aliphatic), and 1 hydroxyl group(s). Images of the chemical structure of Tretinoin (Aberela) are given below:

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

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Additional Information for Identifying Tretinoin (Aberela) Molecule

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

  The SMILES string of Tretinoin (Aberela) is CC(=CC=CC(C)=CC(O)=O)C=CC1=C(C)CCCC1(C)C, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Tretinoin (Aberela).

• Structure Data File (SDF/MOL File) of Tretinoin (Aberela)

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

• Chemical formula of Tretinoin (Aberela)

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

• Molecular weight of Tretinoin (Aberela)

  The molecular weight of Tretinoin (Aberela) is available in molecular weight page of Tretinoin (Aberela), 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 Tretinoin (Aberela)

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

  • (2E,4E,6E,8Z)-3,7-Dimethyl-9-(2,6,6-trimethyl-cyclohex-1-enyl)-nona-2,4,6,8-tetraenoic acid
  • BDBM50064254
  • Tretinoin (Aberela)
  • 4759-48-2

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Tretinoin (Aberela) Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Tretinoin (Aberela)?
C20H28O2
How many atoms and what are the elements included the Tretinoin (Aberela) molecule?
50 atom(s) - 28 Hydrogen atom(s), 20 Carbon atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Tretinoin (Aberela) structure?
50 bond(s) - 22 non-H bond(s), 6 multiple bond(s), 5 rotatable bond(s), 6 double bond(s), 1 six-membered ring(s), 1 carboxylic acid(s) (aliphatic), and 1 hydroxyl group(s)
What’s the Tretinoin (Aberela)’s molecular weight?
300.43512 g/mol
What’s the SMILES code of Tretinoin (Aberela)?
CC(=CC=CC(C)=CC(O)=O)C=CC1=C(C)CCCC1(C)C
What’s the InChI string of Tretinoin (Aberela)?
InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11-,15-8+,16-14+
What’s the InChIKey code of Tretinoin (Aberela)?
SHGAZHPCJJPHSC-WBBXYVSWSA-N

14 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).