Compound Identification
SMILES
O=C(OC[C@@H]1CC[N+]2(CCCCCCCCCC[N+]34CCC[C@@H]3[C@H](COC(=O)C3=CC=CC=C3)CC4)CCC[C@H]12)C1=CC=CC=C1
InChIKey
InChIKey=ZENOXMRMTKLZGC-PPSKUZQSSA-N
Formula
C40H58N2O4
Mass
630.913
Taxonomic Classification
Taxonomy Tree
-
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
Pyrrolizidines Benzoyl derivatives N-alkylpyrrolidines Tetraalkylammonium salts Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Amines Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Benzoyl - Pyrrolizidine - N-alkylpyrrolidine - Pyrrolidine - Tetraalkylammonium salt - Quaternary ammonium salt - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic 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