Compound Identification
SMILES
C[C@H](NC(=O)COC(=O)C1=C(Cl)C=CC(=C1)S(C)(=O)=O)C1=CC=CO1
InChIKey
InChIKey=DLJVUZXXCGOKFD-JTQLQIEISA-N
Formula
C16H16ClNO6S
Mass
385.82
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
2-halobenzoic acids and derivatives Benzenesulfonyl compounds Benzoyl derivatives Chlorobenzenes Aryl chlorides Vinylogous halides Sulfones Heteroaromatic compounds Furans Secondary carboxylic acid amides Carboxylic acid esters Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzenesulfonyl group - Benzoyl - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Heteroaromatic compound - Furan - Sulfone - Vinylogous halide - Sulfonyl - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organohalogen compound - Organochloride - 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