Compound Identification
SMILES
CCCC1=CC(C)=C(C=C1C(=O)OC)S(N)(=O)=O
InChIKey
InChIKey=LRGCRDAFFKRXNK-UHFFFAOYSA-N
Formula
C12H17NO4S
Mass
271.33
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
Benzenesulfonamides Phenylpropanes Benzenesulfonyl compounds Benzoyl derivatives Toluenes Organosulfonamides Methyl esters Aminosulfonyl compounds Organooxygen compounds Organic oxides Organic nitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonamide - Benzoate ester - Benzenesulfonyl group - Phenylpropane - Benzoyl - Toluene - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Methyl ester - Sulfonyl - Aminosulfonyl compound - Carboxylic acid ester - Carboxylic acid derivative - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - 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