Compound Identification
SMILES
OC[C@H](OC(=O)C1=C(Cl)C=C(Cl)C=C1)[C@H]1CC[C@@H]2CCCC[C@H]2O1
InChIKey
InChIKey=NBBYQFAEMDCAJJ-QYHDQYMBSA-N
Formula
C18H22Cl2O4
Mass
373.27
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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
4-halobenzoic acids and derivatives 2-halobenzoic acids and derivatives Benzoyl derivatives Fatty acid esters Chlorobenzenes Oxanes Vinylogous halides Enoate esters Vinyl chlorides Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Chloroalkenes Organochlorides Organic oxides Hydrocarbon derivatives Alcohols and polyols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoate ester - Benzoyl - Halobenzene - Fatty acid ester - Chlorobenzene - Fatty acyl - Oxane - Vinylogous halide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Oxacycle - Chloroalkene - Haloalkene - Organoheterocyclic compound - Vinyl halide - Vinyl chloride - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Alcohol - 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