Compound Identification
SMILES
CCC(C)\C=C(/C)\C=C\C1=CC2=C(Cl)C(=O)[C@](C)(OC(=O)C3=CC=C(Cl)C=C3)[C@H](OC(=O)C3=CC=C(Cl)C=C3)C2=CO1
InChIKey
InChIKey=LJAKZGDGSNYFCL-ZKHVGSTFSA-N
Formula
C33H29Cl3O6
Mass
627.94
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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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
-
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
4-halobenzoic acids and derivatives Benzoyl derivatives Cyclohexenones Chlorobenzenes Pyrans Aryl chlorides Alpha-chloroketones Carboxylic acid esters Vinyl chlorides Oxacyclic compounds Chloroalkenes Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzoyl - Cyclohexenone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Pyran - Alpha-haloketone - Alpha-chloroketone - Carboxylic acid ester - Cyclic ketone - Ketone - Oxacycle - Carboxylic acid derivative - Chloroalkene - Haloalkene - Organoheterocyclic compound - Vinyl halide - Vinyl chloride - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organohalogen compound - Organochloride - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic 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