Compound Identification
SMILES
O=C(OC[C@H]1CC(CC(SC2=CC=CC=N2)S(=O)(=O)C2=CC=CC=C2)[C@@H]1COC(=O)C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=KJNRDIAHOFFUQY-JWYGZXOTSA-N
Formula
C33H31NO6S2
Mass
601.73
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
Benzenesulfonyl compounds Benzoyl derivatives Alkylarylthioethers Pyridines and derivatives Sulfones Heteroaromatic compounds Carboxylic acid esters Sulfenyl compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Benzenesulfonyl group - Aryl thioether - Benzoyl - Alkylarylthioether - Pyridine - Heteroaromatic compound - Sulfone - Sulfonyl - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Thioether - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - 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