Structure & Deep Data of 6-Hydroxy Bexarotene (C24H28O3)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 6-Hydroxy Bexarotene molecule contains a total of 57 bond(s). There are 29 non-H bond(s), 14 multiple bond(s), 3 rotatable bond(s), 2 double bond(s), 12 aromatic bond(s), 3 six-membered ring(s), 1 ten-membered ring(s), 1 carboxylic acid(s) (aromatic), 2 hydroxyl group(s), and 1 secondary alcohol(s). Images of the chemical structure of 6-Hydroxy Bexarotene are given below:

The 2D chemical structure image of 6-Hydroxy Bexarotene is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 6-Hydroxy Bexarotene 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 6-Hydroxy Bexarotene 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 6-Hydroxy Bexarotene. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying 6-Hydroxy Bexarotene Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of 6-Hydroxy Bexarotene

  The SMILES string of 6-Hydroxy Bexarotene is Cc1cc3c(cc1C(=C)c2ccc(cc2)C(O)=O)C(C)(C)CC(O)C3(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 6-Hydroxy Bexarotene.

• Structure Data File (SDF/MOL File) of 6-Hydroxy Bexarotene

  The structure data file (SDF/MOL File) of 6-Hydroxy Bexarotene is available for download in the SDF page of 6-Hydroxy Bexarotene, which provides the information about the atoms, bonds, connectivity and coordinates of 6-Hydroxy Bexarotene. The 6-Hydroxy Bexarotene structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of 6-Hydroxy Bexarotene

  The molecular formula of 6-Hydroxy Bexarotene is available in chemical formula page of 6-Hydroxy Bexarotene, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of 6-Hydroxy Bexarotene

  The molecular weight of 6-Hydroxy Bexarotene is available in molecular weight page of 6-Hydroxy Bexarotene, 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 6-Hydroxy Bexarotene

  The 6-Hydroxy Bexarotene compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 6-Hydroxy Bexarotene including the various registry numbers, if available:

  • 4-[1-(5,6,7,8-Tetrahydro-6-hydroxy-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethenyl]benzoic Acid
  • 368451-07-4
  • 6-Hydroxy Bexarotene

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6-Hydroxy Bexarotene Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 6-Hydroxy Bexarotene?
C24H28O3
How many atoms and what are the elements included the 6-Hydroxy Bexarotene molecule?
55 atom(s) - 28 Hydrogen atom(s), 24 Carbon atom(s), and 3 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the 6-Hydroxy Bexarotene structure?
57 bond(s) - 29 non-H bond(s), 14 multiple bond(s), 3 rotatable bond(s), 2 double bond(s), 12 aromatic bond(s), 3 six-membered ring(s), 1 ten-membered ring(s), 1 carboxylic acid(s) (aromatic), 2 hydroxyl group(s), and 1 secondary alcohol(s)
What’s the 6-Hydroxy Bexarotene’s molecular weight?
364.47732 g/mol
What’s the SMILES code of 6-Hydroxy Bexarotene?
Cc1cc3c(cc1C(=C)c2ccc(cc2)C(O)=O)C(C)(C)CC(O)C3(C)C
What’s the InChI string of 6-Hydroxy Bexarotene?
InChI=1S/C24H28O3/c1-14-11-20-19(23(3,4)13-21(25)24(20,5)6)12-18(14)15(2)16-7-9-17(10-8-16)22(26)27/h7-12,21,25H,2,13H2,1,3-6H3,(H,26,27)
What’s the InChIKey code of 6-Hydroxy Bexarotene?
WTWGVKDCAJSUBZ-UHFFFAOYSA-N

33 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).