Compound Identification
SMILES
COC1=C(OC)C=C(CC(=O)N(CC2(O)CCC3C2(C)CCC2C4(C)CCC(O)CC44C=CC32C(=C4)C(=O)C2=CC(=CC=C2)C(F)(F)F)CC23CC4CC(CC(C4)C2)C3)C=C1
InChIKey
InChIKey=ZPHRYVOWOIUHSM-UHFFFAOYSA-N
Formula
C51H62F3NO6
Mass
842.053
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Trifluoromethylbenzenes
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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
Dimethoxybenzenes Phenylacetamides Anisoles Aryl ketones Benzoyl derivatives Phenoxy compounds Alkyl aryl ethers Tertiary carboxylic acid amides Tertiary alcohols Cyclic alcohols and derivatives Secondary alcohols Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Organopnictogen compounds Alkyl fluorides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Trifluoromethylbenzene - O-dimethoxybenzene - Dimethoxybenzene - Phenylacetamide - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Methoxybenzene - Aryl ketone - Alkyl aryl ether - Cyclic alcohol - Tertiary carboxylic acid amide - Tertiary alcohol - Carboxamide group - Ketone - Secondary alcohol - Ether - Carboxylic acid derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organic oxide - Alcohol - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Alkyl halide - Organooxygen compound - Hydrocarbon derivative - Alkyl fluoride - Aromatic homopolycyclic 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