Compound Identification
SMILES
OC(=O)C1=C(Cl)C=CC(NN=C2CCS(=O)(=O)C3=C2C=C(F)C=C3)=C1
InChIKey
InChIKey=QROIYNOCTJMNAI-UHFFFAOYSA-N
Formula
C16H12ClFN2O4S
Mass
382.79
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Halobenzoic acids and derivatives
- Level 6 Halobenzoic acids
-
Level 5
Halobenzoic acids and 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
Halobenzoic acids
Alternative Parents
Thiochromanes 2-halobenzoic acids 1-benzothiopyrans Benzoic acids Phenylhydrazines 1-carboxy-2-haloaromatic compounds Benzoyl derivatives Chlorobenzenes Thiopyrans Aryl chlorides Aryl fluorides Vinylogous halides Sulfones Hydrazones Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thiochromane - 2-halobenzoic acid or derivatives - Halobenzoic acid - 2-halobenzoic acid - Benzoic acid - 1-benzothiopyran - Benzothiopyran - Benzoyl - Phenylhydrazine - 1-carboxy-2-haloaromatic compound - Chlorobenzene - Halobenzene - Thiopyran - Aryl fluoride - Aryl halide - Aryl chloride - Vinylogous halide - Sulfone - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Hydrazone - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organofluoride - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as halobenzoic acids. These are benzoic acids carrying a halogen atom on the benzene ring.
External Descriptors
Not available