Compound Identification
SMILES
O=C(OCCOC1=CC=CC=C1)C1=CC=C(NC2=NC(NC3=CC=C(C=C3)C(=O)OCCOC3=CC=CC=C3)=NC(NC3=CC=C(C=C3)C(=O)OCCOC3=CC=CC=C3)=N2)C=C1
InChIKey
InChIKey=DNAMFZRSBVIBRA-UHFFFAOYSA-N
Formula
C48H42N6O9
Mass
846.897
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
- Level 5 Benzoic acid esters
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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
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
Phenoxy compounds Phenol ethers Benzoyl derivatives Aniline and substituted anilines Aminotriazines Alkyl aryl ethers 1,3,5-triazines Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Secondary amines Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Benzoyl - Phenol ether - Aniline or substituted anilines - Phenoxy compound - Amino-1,3,5-triazine - Aminotriazine - Alkyl aryl ether - 1,3,5-triazine - Triazine - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Ether - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available