Structure Information
Structure

Compound Identification

SMILES

CC1=CC(C)=C(C=C1)C1=NC(NC(N1)=C1C=CC(OCCO)=CC1=O)=C1C=CC(OCCO)=CC1=O

InChIKey

InChIKey=QXTZBPVIUXPPDZ-UHFFFAOYSA-N

Formula

C27H27N3O6

Mass

489.528

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Ketones - Cyclic ketones - Quinomethanes

Direct Parent

O-quinomethanes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

O-quinomethane - M-xylene - Xylene - Monocyclic benzene moiety - Triazine - Benzenoid - Imidolactam - 1,3,5-triazine - Vinylogous amide - Vinylogous ester - Ketene acetal or derivatives - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Carboxylic acid amidine - Amidine - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Primary alcohol - Organonitrogen compound - Organopnictogen compound - Alcohol - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as o-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 2, respectively.

External Descriptors

Not available

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