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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
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Level 5
Hydroxybenzoic acid derivatives
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Level 6
Salicylic acid and derivatives
- Level 7 Salicylic acids
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Level 6
Salicylic acid and derivatives
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Level 5
Hydroxybenzoic acid derivatives
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Subclass
Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
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
Benzoic acids 1,3,5-triazine-2,4-diamines Aniline and substituted anilines Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 1,3,5-triazines Vinylogous acids Furans Heteroaromatic compounds Carboxylic acids Monocarboxylic acids and derivatives Azacyclic compounds Oxacyclic compounds Hydrazones Hydrocarbon derivatives Organic oxides Organooxygen compounds Organopnictogen compounds
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