Compound Identification
SMILES
COC1=C(OC)C(OC)=C2CC[C@H](NC(=O)C3=CC(CO)=CC(F)=C3)C3=CC(=O)C(SC)=CC=C3C2=C1
InChIKey
InChIKey=QLYZDQDBXULWKS-QFIPXVFZSA-N
Formula
C28H28FNO6S
Mass
525.59
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
3-halobenzoic acids and derivatives
Alternative Parents
Benzamides Tropones Anisoles Benzoyl derivatives Benzyl alcohols Alkyl aryl ethers Alkylarylthioethers Fluorobenzenes Aryl fluorides Secondary carboxylic acid amides Cyclic ketones Sulfenyl compounds Organofluorides Organonitrogen compounds Aromatic alcohols Primary alcohols Organic oxides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - Anisole - Benzoyl - Benzyl alcohol - Phenol ether - Tropone - Aryl thioether - Alkylarylthioether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl halide - Aryl fluoride - Secondary carboxylic acid amide - Cyclic ketone - Carboxamide group - Thioether - Sulfenyl compound - Carboxylic acid derivative - Ether - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Alcohol - Organosulfur compound - Organic nitrogen compound - Primary alcohol - Aromatic alcohol - Hydrocarbon derivative - Organic oxide - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available