Compound Identification
SMILES
COCCCN(CC1=CC=C(OS(C)(=O)=O)C=C1)C(=O)C1=CC=CC=C1F
InChIKey
InChIKey=LTANOIBUFMKUFT-UHFFFAOYSA-N
Formula
C19H22FNO5S
Mass
395.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Halobenzoic acids and derivatives
Direct Parent
2-halobenzoic acids and derivatives
Alternative Parents
Benzamides Benzoyl derivatives Phenoxy compounds Fluorobenzenes Aryl fluorides Organosulfonic acid esters Sulfonic acid esters Methanesulfonates Sulfonyls Vinylogous halides Tertiary carboxylic acid amides Dialkyl ethers Organofluorides Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - Phenoxy compound - Benzoyl - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Sulfonic acid ester - Organosulfonic acid ester - Methanesulfonate - Organosulfonic acid or derivatives - Sulfonyl - Organic sulfonic acid or derivatives - Tertiary carboxylic acid amide - Vinylogous halide - Carboxamide group - Carboxylic acid derivative - Dialkyl ether - Ether - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors
Not available