Structure & Deep Data of Bis(2,5-dimethylbenzoic acid)anhydride (C18H18O3)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Bis(2,5-dimethylbenzoic acid)anhydride molecule contains a total of 40 bond(s). There are 22 non-H bond(s), 14 multiple bond(s), 4 rotatable bond(s), 2 double bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 2 ester(s) (aromatic), and 1 anhydride(s) (-thio). Images of the chemical structure of Bis(2,5-dimethylbenzoic acid)anhydride are given below:

The 2D chemical structure image of Bis(2,5-dimethylbenzoic acid)anhydride is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Bis(2,5-dimethylbenzoic acid)anhydride 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 Bis(2,5-dimethylbenzoic acid)anhydride 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 Bis(2,5-dimethylbenzoic acid)anhydride. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Bis(2,5-dimethylbenzoic acid)anhydride Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Bis(2,5-dimethylbenzoic acid)anhydride

  The SMILES string of Bis(2,5-dimethylbenzoic acid)anhydride is Cc1ccc(C)c(c1)C(=O)OC(=O)c2cc(C)ccc2C, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Bis(2,5-dimethylbenzoic acid)anhydride.

• Structure Data File (SDF/MOL File) of Bis(2,5-dimethylbenzoic acid)anhydride

  The structure data file (SDF/MOL File) of Bis(2,5-dimethylbenzoic acid)anhydride is available for download in the SDF page of Bis(2,5-dimethylbenzoic acid)anhydride, which provides the information about the atoms, bonds, connectivity and coordinates of Bis(2,5-dimethylbenzoic acid)anhydride. The Bis(2,5-dimethylbenzoic acid)anhydride structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of Bis(2,5-dimethylbenzoic acid)anhydride

  The molecular formula of Bis(2,5-dimethylbenzoic acid)anhydride is available in chemical formula page of Bis(2,5-dimethylbenzoic acid)anhydride, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of Bis(2,5-dimethylbenzoic acid)anhydride

  The molecular weight of Bis(2,5-dimethylbenzoic acid)anhydride is available in molecular weight page of Bis(2,5-dimethylbenzoic acid)anhydride, 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 Bis(2,5-dimethylbenzoic acid)anhydride

  The Bis(2,5-dimethylbenzoic acid)anhydride compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Bis(2,5-dimethylbenzoic acid)anhydride including the various registry numbers, if available:

  • Bis(2,5-dimethylbenzoic acid)anhydride

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Bis(2,5-dimethylbenzoic acid)anhydride Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Bis(2,5-dimethylbenzoic acid)anhydride?
C18H18O3
How many atoms and what are the elements included the Bis(2,5-dimethylbenzoic acid)anhydride molecule?
39 atom(s) - 18 Hydrogen atom(s), 18 Carbon atom(s), and 3 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Bis(2,5-dimethylbenzoic acid)anhydride structure?
40 bond(s) - 22 non-H bond(s), 14 multiple bond(s), 4 rotatable bond(s), 2 double bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 2 ester(s) (aromatic), and 1 anhydride(s) (-thio)
What’s the Bis(2,5-dimethylbenzoic acid)anhydride’s molecular weight?
282.33372 g/mol
What’s the SMILES code of Bis(2,5-dimethylbenzoic acid)anhydride?
Cc1ccc(C)c(c1)C(=O)OC(=O)c2cc(C)ccc2C
What’s the InChI string of Bis(2,5-dimethylbenzoic acid)anhydride?
InChI=1S/C18H18O3/c1-11-5-7-13(3)15(9-11)17(19)21-18(20)16-10-12(2)6-8-14(16)4/h5-10H,1-4H3
What’s the InChIKey code of Bis(2,5-dimethylbenzoic acid)anhydride?
IIJSNXJOUVLYSM-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).