Structure Information
Structure

Compound Identification

SMILES

CCC1(C[C@@](O)(COC(=O)C2=CC=CC=C2)C2=CC(Cl)=CC=C2)C(=O)C2=CC=CC=C2C1=O

InChIKey

InChIKey=XVSHYSXTPDCOIA-HHHXNRCGSA-N

Formula

C27H23ClO5

Mass

462.93

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Indanes

Subclass

Indanones

Intermediate Tree Nodes

Not available

Direct Parent

Indanediones

Alternative Parents

Benzoic acid esters Benzoyl derivatives Aryl alkyl ketones Chlorobenzenes Aryl chlorides Tertiary alcohols Carboxylic acid esters Organochlorides Organic oxides Hydrocarbon derivatives Aromatic alcohols

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Indanedione - Benzoate ester - Benzoic acid or derivatives - Aryl alkyl ketone - Aryl ketone - Benzoyl - Chlorobenzene - Halobenzene - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Tertiary alcohol - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Organochloride - Organohalogen compound - Organic oxygen compound - Organic oxide - Aromatic alcohol - Alcohol - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as indanediones. These are compounds containing an indane ring bearing two ketone groups.

External Descriptors

Not available

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