Structure Information
Structure

Compound Identification

SMILES

CC1(C)[C@@H](OC(=O)C2(CCCCC2)C1=O)C1=CC=C(Cl)C=C1

InChIKey

InChIKey=NPEQEJBUAHXKID-AWEZNQCLSA-N

Formula

C18H21ClO3

Mass

320.81

Export to:

JSON SDF CSV

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 Ketones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Chlorobenzene - Delta valerolactone - Halobenzene - Delta_valerolactone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Oxane - Benzenoid - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic 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

Previous Back Next