Compound Identification
SMILES
[Ni++].CCOC(=O)CCC1=C2[N-]C(C=C3N=C(C=C4[N-]C(=CC5=NC(=C2)C(CCC(=O)OCC)=C5C)C(C)=C4CC)C(C)=C3CC)=C1C
InChIKey
InChIKey=KWSCZSNZHVLERU-UHFFFAOYSA-N
Formula
C38H44N4NiO4
Mass
679.487
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Tetrapyrroles and derivatives
- Subclass Porphyrins
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Class
Tetrapyrroles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Tetrapyrroles and derivatives
Subclass
Porphyrins
Intermediate Tree Nodes
Not available
Direct Parent
Porphyrins
Alternative Parents
Fatty acid esters Substituted pyrroles Dicarboxylic acids and derivatives Heteroaromatic compounds Carboxylic acid esters Organic transition metal salts Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Porphyrin - Fatty acid ester - Fatty acyl - Substituted pyrrole - Dicarboxylic acid or derivatives - Heteroaromatic compound - Pyrrole - Carboxylic acid ester - Azacycle - Organic transition metal salt - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as porphyrins. These are compounds containing a fundamental skeleton of four pyrrole nuclei united through the alpha-positions by four methine groups to form a macrocyclic structure.
External Descriptors
Not available