Structure Information
Structure

Compound Identification

SMILES

O=C1OC(C2=CC=CS2)C2(CC2)C(=O)C11CC1

InChIKey

InChIKey=UXOMSIVPTLLYTH-UHFFFAOYSA-N

Formula

C13H12O3S

Mass

248.3

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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

Oxanes Thiophenes Heteroaromatic compounds Ketones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Delta valerolactone - Delta_valerolactone - Oxane - Thiophene - Heteroaromatic compound - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen 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

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