Compound Identification
SMILES
CC1=CC(=O)OC2CC[C@@H](CCC(=C)C[C@@H](C1)OC(=O)C1=CC=C(Cl)C=C1)C(C)(C)C2=O
InChIKey
InChIKey=DUOWFTVKTZUWJW-DOYJUQJDSA-N
Formula
C26H31ClO5
Mass
458.98
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
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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
4-halobenzoic acids and derivatives Benzoyl derivatives Chlorobenzenes Alpha-acyloxy ketones Dicarboxylic acids and derivatives Aryl chlorides Enoate esters Lactones Ketones Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzoate ester - Benzoyl - Alpha-acyloxy ketone - Halobenzene - Chlorobenzene - Dicarboxylic acid or derivatives - Aryl halide - Aryl chloride - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Lactone - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - 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