Compound Identification
SMILES
CC12CCCC1C(=O)C=C(C2)OC(=O)C1=C(Cl)C=C(OS(C)(=O)=O)C=C1
InChIKey
InChIKey=JCZZZKBUJBMICK-UHFFFAOYSA-N
Formula
C18H19ClO6S
Mass
398.85
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 Phenoxy compounds Benzoyl derivatives Cyclohexenones Chlorobenzenes Sulfonic acid esters Organosulfonic acid esters Aryl chlorides Vinylogous halides Sulfonyls Methanesulfonates Enol esters Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoate ester - Benzoyl - Phenoxy compound - Halobenzene - Chlorobenzene - Cyclohexenone - Aryl chloride - Organosulfonic acid ester - Sulfonic acid ester - Aryl halide - Vinylogous halide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Methanesulfonate - Enol ester - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Organochloride - Organooxygen compound - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organic oxygen compound - Aromatic homopolycyclic 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