Structure Information
Structure

Compound Identification

SMILES

CC(O)(C#CC(O)C1=CC=CS1)C1CC1

InChIKey

InChIKey=MFICLTOGKFDEHB-UHFFFAOYSA-N

Formula

C12H14O2S

Mass

222.3

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated ketones

Direct Parent

Ynones

Alternative Parents

Thiophenes Tertiary alcohols Heteroaromatic compounds Secondary alcohols Hydrocarbon derivatives Aromatic alcohols

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Ynone - Heteroaromatic compound - Thiophene - Tertiary alcohol - Secondary alcohol - Organoheterocyclic compound - Hydrocarbon derivative - Aromatic alcohol - Alcohol - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as ynones. These are organic compounds containing the ynone functional group, an alpha,beta unsaturated ketone group with the general structure RC#C-C(=O)R' (R' not H).

External Descriptors

Not available

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