Structure Information
Structure

Compound Identification

SMILES

CC(C)C1=CC(C(C)C)=C(OCCCC(F)(F)F)C(=C1)C1=C(SC=C1)\C=C\C(\C)=C\C(O)=O

InChIKey

InChIKey=IYEYWGTZLZAJDI-OZOLYBCPSA-N

Formula

C26H31F3O3S

Mass

480.59

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Cumenes

Intermediate Tree Nodes

Not available

Direct Parent

Cumenes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Cumene - Phenylpropane - Phenoxy compound - Medium-chain fatty acid - Phenol ether - Alkyl aryl ether - Branched fatty acid - Halogenated fatty acid - Methyl-branched fatty acid - Heterocyclic fatty acid - Fatty acyl - Fatty acid - Unsaturated fatty acid - Heteroaromatic compound - Thiophene - Carboxylic acid derivative - Carboxylic acid - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Alkyl halide - Hydrocarbon derivative - Alkyl fluoride - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic oxide - Organohalogen compound - Organofluoride - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.

External Descriptors

Not available

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