Compound Identification
SMILES
OC(=O)C(F)(F)F.COC1=CC=C(OCCN2CCC3(C2)N(CCC2=C3NC3=C2C=C(OC)C=C3)C(=O)NC2=CC=CS2)C=C1
InChIKey
InChIKey=YTKMEQDLVKMINS-UHFFFAOYSA-N
Formula
C31H33F3N4O6S
Mass
646.68
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Alpha-halocarboxylic acids and derivatives
- Level 5 Alpha-halocarboxylic acids
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Subclass
Alpha-halocarboxylic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Alpha-halocarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Alpha-halocarboxylic acids
Alternative Parents
Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Not available
Substituents
Alpha-halocarboxylic acid - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha-halocarboxylic acids. These are carboxylic acids containing a halogen atom bonded to the alpha carbon atom.
External Descriptors
Not available