Compound Identification
SMILES
COC(=O)C1=CC=CC=C1\C=C1\CC2=CC3=C(CCC3)C=C2C1=O
InChIKey
InChIKey=BTPLNWCEBSXYRP-YVLHZVERSA-N
Formula
C21H18O3
Mass
318.372
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Indanes
Subclass
Indanones
Intermediate Tree Nodes
Not available
Direct Parent
Indanones
Alternative Parents
Benzoic acid esters Benzoyl derivatives Aryl ketones Methyl esters Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Indanone - Benzoate ester - Benzoic acid or derivatives - Aryl ketone - Benzoyl - Monocyclic benzene moiety - Methyl ester - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as indanones. These are compounds containing an indane ring bearing a ketone group.
External Descriptors
Not available