Structure Information
Structure

Compound Identification

SMILES

CC1=CC(CCCCC(O)=O)=C(C)C(=C1)C(=O)CCC1=C(N=C(S1)C1=CC=C(C=C1)C(F)(F)F)C1CC1

InChIKey

InChIKey=QSYSPVOBIINWGK-UHFFFAOYSA-N

Formula

C29H30F3NO3S

Mass

529.62

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Ketones - Aryl ketones - Phenylketones

Direct Parent

Alkyl-phenylketones

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Alkyl-phenylketone - Butyrophenone - Trifluoromethylbenzene - 2,4,5-trisubstituted 1,3-thiazole - P-xylene - Xylene - Benzoyl - Aryl alkyl ketone - Medium-chain fatty acid - Halogenated fatty acid - Heterocyclic fatty acid - Monocyclic benzene moiety - Fatty acyl - Fatty acid - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.

External Descriptors

Not available

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