Structure Information
Structure

Compound Identification

SMILES

[Ca].[Ca++].CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@H](O)C[C@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1.CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1

InChIKey

InChIKey=SNEPKQUWODKSAZ-MCWYYOKBSA-L

Formula

C66H68Ca2F2N4O10

Mass

1195.441

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrroles

Subclass

Substituted pyrroles

Intermediate Tree Nodes

Phenylpyrroles

Direct Parent

Diphenylpyrroles

Alternative Parents

Aromatic anilides Medium-chain hydroxy acids and derivatives Pyrrole carboxamides Medium-chain fatty acids Beta hydroxy acids and derivatives Fluorobenzenes Halogenated fatty acids Hydroxy fatty acids Heterocyclic fatty acids Aryl fluorides Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Carboxylic acid salts Azacyclic compounds Carboxylic acids Organic metal halides Organic calcium salts Monocarboxylic acids and derivatives Organic oxides Organofluorides Organonitrogen compounds Organic zwitterions Carbonyl compounds Hydrocarbon derivatives

Molecular Framework

Not available

Substituents

2,3-diphenylpyrrole - Aromatic anilide - Medium-chain hydroxy acid - Pyrrole-3-carboxamide - Pyrrole-3-carboxylic acid or derivatives - Medium-chain fatty acid - Beta-hydroxy acid - Fluorobenzene - Halobenzene - Halogenated fatty acid - Heterocyclic fatty acid - Hydroxy fatty acid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Hydroxy acid - Fatty acyl - Fatty acid - Benzenoid - Vinylogous amide - Heteroaromatic compound - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Organic calcium salt - Organic metal halide - Monocarboxylic acid or derivatives - Azacycle - Organic zwitterion - Organic oxygen compound - Carbonyl group - Organohalogen compound - Organic salt - Organofluoride - Organic nitrogen compound - Alcohol - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as diphenylpyrroles. These are aromatic heterocyclic compounds with a structure based on a pyrrole ring linked to exactly two phenyl groups.

External Descriptors

Not available

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