Compound Identification
SMILES
CC=C(NOCC=CCl)C1=C(CC(CC(C)S(=O)C2=CC=CC=C2)CC1=O)OC(=O)C1=CC=CC=C1
InChIKey
InChIKey=JSJLBUNZQCHTJY-UHFFFAOYSA-N
Formula
C28H30ClNO5S
Mass
528.06
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
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
Phenyl sulfoxides Benzoyl derivatives Cyclohexenones Enol esters Sulfoxides Vinyl chlorides Sulfinyl compounds N-organohydroxylamines Chloroalkenes Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoate ester - Phenyl sulfoxide - Benzoyl - Cyclohexenone - Enol ester - Carboxylic acid ester - Ketone - Sulfoxide - Cyclic ketone - N-organohydroxylamine - Sulfinyl compound - Vinyl halide - Vinyl chloride - Chloroalkene - Haloalkene - Carboxylic acid derivative - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Carbonyl group - 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