Compound Identification
SMILES
COC(=O)C1=CC([C@H](O)C(C)(C)C)=C(Br)C=C1
InChIKey
InChIKey=TUYGVBPSGVSGHN-NSHDSACASA-N
Formula
C13H17BrO3
Mass
301.18
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
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 Phenylpropanes Benzoyl derivatives Bromobenzenes Aryl bromides Methyl esters Secondary alcohols Organobromides Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoate ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Phenylpropane - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Methyl ester - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organooxygen compound - Alcohol - Organic oxygen compound - Organic oxide - Aromatic alcohol - 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