Structure & Deep Data of Russig's blue (C22H16O4)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Russig's blue molecule contains a total of 45 bond(s). There are 29 non-H bond(s), 17 multiple bond(s), 2 rotatable bond(s), 5 double bond(s), 12 aromatic bond(s), 4 six-membered ring(s), 2 ten-membered ring(s), 2 ketone(s) (aromatic), and 2 ether(s) (aliphatic). Images of the chemical structure of Russig's blue are given below:

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

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Additional Information for Identifying Russig's blue Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Russig's blue

  The SMILES string of Russig's blue is COC1=CC(C(=O)c2ccccc12)=C4C=C(OC)c3ccccc3C4=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Russig's blue.

• Structure Data File (SDF/MOL File) of Russig's blue

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

• Chemical formula of Russig's blue

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

• Molecular weight of Russig's blue

  The molecular weight of Russig's blue is available in molecular weight page of Russig's blue, 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 Russig's blue

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

  • 1244-92-4
  • 1(2H)-Naphthalenone, 4-methoxy-2-(4-methoxy-1-oxo-2(1H)-naphthalenylidene)-
  • [.DELTA.2,2'(1H,1'H)-Binaphthalene]-1,1'-dione, 4,4'-dimethoxy-
  • (2E)-4-methoxy-2-(4-methoxy-1-oxonaphthalen-2-ylidene)naphthalen-1-one
  • 4,4'-Dimethoxy-1,1'-dioxo-(1,1',2,2')-tetrahydro-2,2'-binaphthylidene
  • Russig's blue

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Russig's blue Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Russig's blue?
C22H16O4
How many atoms and what are the elements included the Russig's blue molecule?
42 atom(s) - 16 Hydrogen atom(s), 22 Carbon atom(s), and 4 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Russig's blue structure?
45 bond(s) - 29 non-H bond(s), 17 multiple bond(s), 2 rotatable bond(s), 5 double bond(s), 12 aromatic bond(s), 4 six-membered ring(s), 2 ten-membered ring(s), 2 ketone(s) (aromatic), and 2 ether(s) (aliphatic)
What’s the Russig's blue’s molecular weight?
344.36004 g/mol
What’s the SMILES code of Russig's blue?
COC1=CC(C(=O)c2ccccc12)=C4C=C(OC)c3ccccc3C4=O
What’s the InChI string of Russig's blue?
InChI=1S/C22H16O4/c1-25-19-11-17(21(23)15-9-5-3-7-13(15)19)18-12-20(26-2)14-8-4-6-10-16(14)22(18)24/h3-12H,1-2H3/b18-17+
What’s the InChIKey code of Russig's blue?
YFBWJVYUOPVVRG-ISLYRVAYSA-N

1210 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).