Compound Identification
SMILES
O[C@H]1O[C@H](COC(=O)C2=CC=C(Cl)C=C2)[C@](O)(C#C)[C@H]1O
InChIKey
InChIKey=BHHWKAPNUFBDCK-UVLXDEKHSA-N
Formula
C14H13ClO6
Mass
312.7
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
-
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 Pentoses Benzoyl derivatives Chlorobenzenes Ynones Aryl chlorides Tertiary alcohols Oxolanes Hemiacetals Carboxylic acid esters 1,2-diols Secondary alcohols Oxacyclic compounds Acetylides Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pentose monosaccharide - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoate ester - Benzoyl - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Ynone - Monosaccharide - Tertiary alcohol - Oxolane - Carboxylic acid ester - Secondary alcohol - 1,2-diol - Hemiacetal - Acetylide - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Polyol - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic 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