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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Trifluoromethylbenzenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Trifluoromethylbenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Trifluoromethylbenzenes
Alternative Parents
Aryl ketones Benzoyl derivatives Delta valerolactones Gamma butyrolactones Oxanes Pyrans Thiophenes Heteroaromatic compounds Tertiary carboxylic acid amides Tetrahydrofurans Tertiary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Secondary alcohols Oxacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
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