Structure Information
Structure

Compound Identification

SMILES

CC1(C)C(=O)O[C@H](C2=CC=C(Cl)C=C2)[C@](C)(Br)C1=O

InChIKey

InChIKey=ITBXNPYKFCFEKK-YGRLFVJLSA-N

Formula

C14H14BrClO3

Mass

345.62

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Lactones

Subclass

Delta valerolactones

Intermediate Tree Nodes

Not available

Direct Parent

Delta valerolactones

Alternative Parents

Chlorobenzenes Oxanes Aryl chlorides Alpha-haloketones Cyclic ketones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Chlorobenzene - Delta valerolactone - Halobenzene - Delta_valerolactone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Oxane - Benzenoid - Alpha-haloketone - Cyclic ketone - Carboxylic acid ester - Ketone - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organochloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Carbonyl group - Organooxygen compound - Alkyl bromide - Organobromide - Alkyl halide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety.

External Descriptors

Not available

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