Structure & Deep Data of Chlorocruorin (C33H32N4O5)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Chlorocruorin molecule contains a total of 78 bond(s). There are 46 non-H bond(s), 28 multiple bond(s), 8 rotatable bond(s), 6 double bond(s), 22 aromatic bond(s), 4 five-membered ring(s), 2 carboxylic acid(s) (aliphatic), 1 aldehyde(s) (aromatic), 2 hydroxyl group(s), and 2 Pyrrole(s). Images of the chemical structure of Chlorocruorin are given below:

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

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Additional Information for Identifying Chlorocruorin Molecule

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

  The SMILES string of Chlorocruorin is CC1=C(CCC(O)=O)c2cc5nc(cc4[nH]c(cc3[nH]c(cc1n2)c(C)c3C=O)c(C)c4C=C)C(=C5CCC(O)=O)C, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Chlorocruorin.

• Structure Data File (SDF/MOL File) of Chlorocruorin

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

• Chemical formula of Chlorocruorin

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

• Molecular weight of Chlorocruorin

  The molecular weight of Chlorocruorin is available in molecular weight page of Chlorocruorin, 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 Chlorocruorin

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

  • 3-[18-(2-carboxyethyl)-7-ethenyl-12-formyl-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid
  • 21H,23H-Porphine-2,18-dipropanoic acid, 7-ethenyl-12-formyl-3,8,13,17-tetramethyl-
  • Chlorocruoroporphyrin
  • 24869-67-8
  • Chlorocruorin

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Chlorocruorin Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Chlorocruorin?
C33H32N4O5
How many atoms and what are the elements included the Chlorocruorin molecule?
74 atom(s) - 32 Hydrogen atom(s), 33 Carbon atom(s), 4 Nitrogen atom(s), and 5 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Chlorocruorin structure?
78 bond(s) - 46 non-H bond(s), 28 multiple bond(s), 8 rotatable bond(s), 6 double bond(s), 22 aromatic bond(s), 4 five-membered ring(s), 2 carboxylic acid(s) (aliphatic), 1 aldehyde(s) (aromatic), 2 hydroxyl group(s), and 2 Pyrrole(s)
What’s the Chlorocruorin’s molecular weight?
564.63098 g/mol
What’s the SMILES code of Chlorocruorin?
CC1=C(CCC(O)=O)c2cc5nc(cc4[nH]c(cc3[nH]c(cc1n2)c(C)c3C=O)c(C)c4C=C)C(=C5CCC(O)=O)C
What’s the InChI string of Chlorocruorin?
InChI=1S/C33H32N4O5/c1-6-20-16(2)26-13-31-23(15-38)19(5)25(37-31)11-24-17(3)21(7-9-32(39)40)29(35-24)14-30-22(8-10-33(41)42)18(4)27(36-30)12-28(20)34-26/h6,11-15,34,37H,1,7-10H2,2-5H3,(H,39,40)(H,41,42)/b24-11-,25-11-,26-13-,27-12-,28-12-,29-14-,30-14-,31-13-
What’s the InChIKey code of Chlorocruorin?
DVJBMUBJWXYQHX-DWHPGZLKSA-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).