Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=C(O)C=C(C=C1)C1=CC=C(O1)C=NNC1=NC(NC2=CC=CC=C2)=NC(NC2=CC=CC=C2)=N1

InChIKey

InChIKey=KSKSUGUWSPAVCE-UHFFFAOYSA-N

Formula

C27H21N7O4

Mass

507.51

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Hydroxybenzoic acid derivatives - Salicylic acid and derivatives

Direct Parent

Salicylic acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Salicylic acid - Benzoic acid - 2,4-diamine-s-triazine - Benzoyl - Aniline or substituted anilines - Amino-1,3,5-triazine - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aminotriazine - Phenol - Triazine - 1,3,5-triazine - Furan - Heteroaromatic compound - Vinylogous acid - Oxacycle - Monocarboxylic acid or derivatives - Hydrazone - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as salicylic acids. These are ortho-hydroxylated benzoic acids.

External Descriptors

Not available

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