Compound Identification
SMILES
[Zn++].CC(=O)SCC1=CC=C(C=C1)C1=C2C=CC(=N2)C(=C2[N-]C(C=C2)=C(C2=NC(C=C2)=C(C2=CC=C1[N-]2)C1=C(C)C=C(C)C=C1C)C1=CC=C(C=O)C=C1)C1=C(C)C=C(C)C=C1C
InChIKey
InChIKey=IRCXXWYNPHOUQA-UHFFFAOYSA-M
Formula
C54H44N4O2SZn
Mass
878.41
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Tetrapyrroles and derivatives
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Subclass
Metallotetrapyrroles
- Level 5 Metalloporphyrins
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Subclass
Metallotetrapyrroles
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Class
Tetrapyrroles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Tetrapyrroles and derivatives
Subclass
Metallotetrapyrroles
Intermediate Tree Nodes
Not available
Direct Parent
Metalloporphyrins
Alternative Parents
Porphyrins Benzoyl derivatives Benzaldehydes Pyrroles Heteroaromatic compounds Thioesters Carbothioic S-esters Sulfenyl compounds Organic transition metal salts Carboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Metalloporphyrin - Porphyrin - Benzaldehyde - Benzoyl - Aryl-aldehyde - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Pyrrole - Thiocarboxylic acid ester - Carbothioic s-ester - Sulfenyl compound - Carboxylic acid derivative - Azacycle - Thiocarboxylic acid or derivatives - Organic transition metal salt - Organic salt - Aldehyde - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as metalloporphyrins. These are polycyclic compounds containing a porphyrin moiety and a metal atom.
External Descriptors
Not available