Structure & Deep Data of Disperse Yellow 60 (C18H16N4O3)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Disperse Yellow 60 molecule contains a total of 43 bond(s). There are 27 non-H bond(s), 16 multiple bond(s), 5 rotatable bond(s), 4 double bond(s), 12 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 1 ester(s) (aromatic), 1 N azo-derivative(s), and 1 hydrazone(s). Images of the chemical structure of Disperse Yellow 60 are given below:

The 2D chemical structure image of Disperse Yellow 60 is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Disperse Yellow 60 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 Disperse Yellow 60 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 Disperse Yellow 60. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Disperse Yellow 60 Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Disperse Yellow 60

  The SMILES string of Disperse Yellow 60 is COC(=O)c3ccc(N=NC1C(=NN(C1=O)c2ccccc2)C)cc3, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Disperse Yellow 60.

• Structure Data File (SDF/MOL File) of Disperse Yellow 60

  The structure data file (SDF/MOL File) of Disperse Yellow 60 is available for download in the SDF page of Disperse Yellow 60, which provides the information about the atoms, bonds, connectivity and coordinates of Disperse Yellow 60. The Disperse Yellow 60 structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of Disperse Yellow 60

  The molecular formula of Disperse Yellow 60 is available in chemical formula page of Disperse Yellow 60, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of Disperse Yellow 60

  The molecular weight of Disperse Yellow 60 is available in molecular weight page of Disperse Yellow 60, 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 Disperse Yellow 60

  The Disperse Yellow 60 compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Disperse Yellow 60 including the various registry numbers, if available:

  • Benzoic acid,4-[2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]-, methylester
  • METHYL 4-[2-(3-METHYL-5-OXO-1-PHENYL-4H-PYRAZOL-4-YL)DIAZEN-1-YL]BENZOATE
  • methyl 4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzoate
  • C.I.12712
  • 132210-04-9
  • AR-1J5227
  • Benzoic acid, 4-[2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]-, methyl ester
  • Benzoic acid, 4-(2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl)-, methyl ester
  • Benzoic acid, 4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-, methyl ester
  • Benzoic acid, 4-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-, methyl ester

  • Methyl 4-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)benzoate
  • 15790-15-5
  • Disperse Yellow 60

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Disperse Yellow 60 Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Disperse Yellow 60?
C18H16N4O3
How many atoms and what are the elements included the Disperse Yellow 60 molecule?
41 atom(s) - 16 Hydrogen atom(s), 18 Carbon atom(s), 4 Nitrogen atom(s), and 3 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Disperse Yellow 60 structure?
43 bond(s) - 27 non-H bond(s), 16 multiple bond(s), 5 rotatable bond(s), 4 double bond(s), 12 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 1 ester(s) (aromatic), 1 N azo-derivative(s), and 1 hydrazone(s)
What’s the Disperse Yellow 60’s molecular weight?
336.34464 g/mol
What’s the SMILES code of Disperse Yellow 60?
COC(=O)c3ccc(N=NC1C(=NN(C1=O)c2ccccc2)C)cc3
What’s the InChI string of Disperse Yellow 60?
InChI=1S/C18H16N4O3/c1-12-16(17(23)22(21-12)15-6-4-3-5-7-15)20-19-14-10-8-13(9-11-14)18(24)25-2/h3-11,16H,1-2H3/b20-19+
What’s the InChIKey code of Disperse Yellow 60?
QJGOOFISESXSNF-FMQUCBEESA-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).