Structure Information
Structure

Compound Identification

SMILES

CC1(C)C2(C)CCC1(OC2=O)C(=O)N(CCC1=CC=CS1)CC1(O)CCC2C1(C)CCC1C3(C)CCC(O)CC33C=CC21C(=C3)C(=O)C1=CC(=CC=C1)C(F)(F)F

InChIKey

InChIKey=PMFJMUWSDQVHAM-UHFFFAOYSA-N

Formula

C46H54F3NO6S

Mass

805.99

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Trifluoromethylbenzenes

Intermediate Tree Nodes

Not available

Direct Parent

Trifluoromethylbenzenes

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Trifluoromethylbenzene - Benzoyl - Aryl ketone - Delta valerolactone - Delta_valerolactone - Gamma butyrolactone - Oxane - Pyran - Cyclic alcohol - Heteroaromatic compound - Tertiary alcohol - Tertiary carboxylic acid amide - Tetrahydrofuran - Thiophene - Secondary alcohol - Carboxamide group - Carboxylic acid ester - Ketone - Lactone - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alkyl fluoride - Organic oxide - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Alcohol - Organofluoride - Organonitrogen compound - Organooxygen compound - Alkyl halide - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.

External Descriptors

Not available

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