Compound Identification
SMILES
CC1=C(C)C(C)=C(C(=O)OCC2=C3OCOCC3=CC(Cl)=C2)C(C)=C1C
InChIKey
InChIKey=TYBMKMMZSXDDGS-UHFFFAOYSA-N
Formula
C21H23ClO4
Mass
374.86
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
-
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
Benzo-1,3-dioxanes Benzoyl derivatives Aryl chlorides Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-1,3-dioxane - Benzodioxane - Benzoate ester - Benzoyl - Aryl chloride - Aryl halide - Carboxylic acid ester - Monocarboxylic acid or derivatives - Acetal - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - 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