Structure Information
Structure

Compound Identification

SMILES

[Zn++].CCC1=C2[N-]C(=C1C)C(=C1N=C(C=C3[N-]C(=CC4=NC(=C2)C(C)=C4CCC(=O)OC)C(CCC(=O)OC)=C3C)C(CC)=C1C)C1=CC=C(Br)C=C1

InChIKey

InChIKey=WWYOVBCSFGPWAG-UHFFFAOYSA-N

Formula

C42H43BrN4O4Zn

Mass

813.11

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Tetrapyrroles and derivatives

Subclass

Metallotetrapyrroles

Intermediate Tree Nodes

Not available

Direct Parent

Metalloporphyrins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Metalloporphyrin - Porphyrin - Bromobenzene - Fatty acid ester - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Substituted pyrrole - Benzenoid - Fatty acyl - Methyl ester - Heteroaromatic compound - Pyrrole - Carboxylic acid ester - Azacycle - Organic transition metal salt - Carboxylic acid derivative - Organic metal halide - Organic nitrogen compound - Organic oxide - Organohalogen compound - Organic oxygen compound - Organobromide - Organic zwitterion - Carbonyl group - Organic salt - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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

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