Compound Identification
SMILES
COC(=O)C1=CC(=C(C=C1C#N)C1CC1)S(C)(=O)=O
InChIKey
InChIKey=YXFRNUCXLYJEBH-UHFFFAOYSA-N
Formula
C13H13NO4S
Mass
279.31
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
-
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 Benzonitriles Sulfones Methyl esters Nitriles Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoate ester - Benzenesulfonyl group - Benzonitrile - Benzoyl - Sulfone - Sulfonyl - Methyl ester - Carboxylic acid ester - Nitrile - Carbonitrile - Carboxylic acid derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Cyanide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic 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